USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 628 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 49 THR OG1 : rot 180:sc= -0.121 USER MOD Set 1.2: A 85 GLN : amide:sc= 0 X(o=-0.12,f=-0.12) USER MOD Set 2.1: A 38 TYR OH : rot -154:sc= 0.522 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot 161:sc= 0.553 USER MOD Set 3.2: A 11 CYS SG : rot -47:sc= 0.0942 USER MOD Set 3.3: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 31 CYS SG : rot -49:sc= 0.712 USER MOD Set 3.5: A 34 CYS SG : rot 81:sc= 1.41 USER MOD Set 4.1: A 26 CYS SG : rot 104:sc= 0.622 USER MOD Set 4.2: A 28 CYS SG : rot 47:sc= 1.37 USER MOD Set 4.3: A 53 CYS SG : rot 127:sc= -2.15 USER MOD Set 4.4: A 58 CYS SG : rot 107:sc= 0.609 USER MOD Set 5.1: A 6 SER OG : rot -33:sc= -0.689 USER MOD Set 5.2: A 20 MET CE :methyl -120:sc= -0.311 (180deg=-0.97) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 25 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.27) USER MOD Single : A 27 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0.859 (180deg=0.768) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -1.31 (180deg=-1.37) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -8.09! C(o=-8.1!,f=-5.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.7) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -2.04 (180deg=-2.2) USER MOD Single : A 78 MET CE :methyl -151:sc= -0.687 (180deg=-1.15) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -124:sc= -0.0517 (180deg=-0.39) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -12.943 -16.449 -3.611 1.00 0.00 N ATOM 49 CA SER A 6 -11.704 -16.387 -4.378 1.00 0.00 C ATOM 50 C SER A 6 -10.518 -16.843 -3.534 1.00 0.00 C ATOM 51 O SER A 6 -9.484 -17.247 -4.063 1.00 0.00 O ATOM 52 CB SER A 6 -11.466 -14.965 -4.888 1.00 0.00 C ATOM 53 OG SER A 6 -11.361 -14.048 -3.812 1.00 0.00 O ATOM 0 HA SER A 6 -11.800 -17.060 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.554 -14.937 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.285 -14.669 -5.544 1.00 0.00 H new ATOM 0 HG SER A 6 -11.942 -14.337 -3.078 1.00 0.00 H new ATOM 59 N GLY A 7 -10.677 -16.775 -2.216 1.00 0.00 N ATOM 60 CA GLY A 7 -9.613 -17.183 -1.317 1.00 0.00 C ATOM 61 C GLY A 7 -8.420 -16.248 -1.370 1.00 0.00 C ATOM 62 O GLY A 7 -8.157 -15.623 -2.398 1.00 0.00 O ATOM 0 H GLY A 7 -11.524 -16.444 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.997 -17.220 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.292 -18.192 -1.574 1.00 0.00 H new ATOM 66 N CYS A 8 -7.698 -16.151 -0.259 1.00 0.00 N ATOM 67 CA CYS A 8 -6.527 -15.285 -0.181 1.00 0.00 C ATOM 68 C CYS A 8 -5.242 -16.106 -0.192 1.00 0.00 C ATOM 69 O CYS A 8 -5.268 -17.325 -0.029 1.00 0.00 O ATOM 70 CB CYS A 8 -6.586 -14.425 1.084 1.00 0.00 C ATOM 71 SG CYS A 8 -5.433 -13.016 1.079 1.00 0.00 S ATOM 0 H CYS A 8 -7.903 -16.661 0.600 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.528 -14.634 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.602 -14.049 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.371 -15.054 1.948 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.816 -12.138 1.958 1.00 0.00 H new ATOM 76 N LYS A 9 -4.116 -15.428 -0.386 1.00 0.00 N ATOM 77 CA LYS A 9 -2.817 -16.093 -0.418 1.00 0.00 C ATOM 78 C LYS A 9 -2.000 -15.747 0.823 1.00 0.00 C ATOM 79 O LYS A 9 -1.112 -16.501 1.224 1.00 0.00 O ATOM 80 CB LYS A 9 -2.046 -15.692 -1.678 1.00 0.00 C ATOM 81 CG LYS A 9 -2.595 -16.314 -2.950 1.00 0.00 C ATOM 82 CD LYS A 9 -1.649 -16.114 -4.121 1.00 0.00 C ATOM 83 CE LYS A 9 -0.575 -17.191 -4.160 1.00 0.00 C ATOM 84 NZ LYS A 9 -1.086 -18.463 -4.743 1.00 0.00 N ATOM 0 H LYS A 9 -4.076 -14.418 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.987 -17.170 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.066 -14.607 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.002 -15.982 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.761 -17.380 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.563 -15.872 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.214 -16.128 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.180 -15.133 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.273 -16.837 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.209 -17.376 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.325 -19.171 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.879 -18.814 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.412 -18.293 -5.716 1.00 0.00 H new ATOM 98 N LEU A 10 -2.304 -14.603 1.427 1.00 0.00 N ATOM 99 CA LEU A 10 -1.597 -14.159 2.624 1.00 0.00 C ATOM 100 C LEU A 10 -2.242 -14.734 3.881 1.00 0.00 C ATOM 101 O LEU A 10 -1.574 -15.365 4.701 1.00 0.00 O ATOM 102 CB LEU A 10 -1.587 -12.631 2.695 1.00 0.00 C ATOM 103 CG LEU A 10 -0.925 -11.909 1.521 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.468 -10.494 1.390 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.587 -11.889 1.692 1.00 0.00 C ATOM 0 H LEU A 10 -3.034 -13.967 1.108 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.570 -14.521 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.617 -12.284 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.079 -12.333 3.612 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.160 -12.452 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.985 -9.995 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.544 -10.531 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.264 -9.940 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.042 -11.371 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.842 -11.370 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.962 -12.912 1.735 1.00 0.00 H new ATOM 117 N CYS A 11 -3.543 -14.513 4.026 1.00 0.00 N ATOM 118 CA CYS A 11 -4.280 -15.010 5.183 1.00 0.00 C ATOM 119 C CYS A 11 -5.006 -16.310 4.847 1.00 0.00 C ATOM 120 O CYS A 11 -5.578 -16.958 5.725 1.00 0.00 O ATOM 121 CB CYS A 11 -5.284 -13.962 5.663 1.00 0.00 C ATOM 122 SG CYS A 11 -6.618 -13.608 4.473 1.00 0.00 S ATOM 0 H CYS A 11 -4.110 -13.993 3.357 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.564 -15.209 5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.728 -14.302 6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.751 -13.037 5.880 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.109 -13.430 3.290 1.00 0.00 H new ATOM 127 N LEU A 12 -4.978 -16.686 3.574 1.00 0.00 N ATOM 128 CA LEU A 12 -5.632 -17.909 3.122 1.00 0.00 C ATOM 129 C LEU A 12 -7.003 -18.065 3.771 1.00 0.00 C ATOM 130 O LEU A 12 -7.298 -19.090 4.383 1.00 0.00 O ATOM 131 CB LEU A 12 -4.762 -19.125 3.443 1.00 0.00 C ATOM 132 CG LEU A 12 -3.316 -19.066 2.948 1.00 0.00 C ATOM 133 CD1 LEU A 12 -2.417 -18.435 4.000 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.820 -20.457 2.583 1.00 0.00 C ATOM 0 H LEU A 12 -4.509 -16.161 2.836 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.767 -17.842 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.749 -19.262 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.236 -20.009 3.015 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.283 -18.445 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.392 -18.402 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.760 -17.422 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.454 -19.029 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.790 -20.396 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.867 -21.102 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.447 -20.871 1.794 1.00 0.00 H new ATOM 146 N GLY A 13 -7.838 -17.039 3.632 1.00 0.00 N ATOM 147 CA GLY A 13 -9.169 -17.083 4.209 1.00 0.00 C ATOM 148 C GLY A 13 -10.257 -17.104 3.155 1.00 0.00 C ATOM 149 O GLY A 13 -10.043 -16.670 2.023 1.00 0.00 O ATOM 0 H GLY A 13 -7.616 -16.179 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.260 -17.968 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.310 -16.217 4.855 1.00 0.00 H new ATOM 153 N GLU A 14 -11.428 -17.613 3.525 1.00 0.00 N ATOM 154 CA GLU A 14 -12.554 -17.692 2.600 1.00 0.00 C ATOM 155 C GLU A 14 -13.352 -16.392 2.603 1.00 0.00 C ATOM 156 O GLU A 14 -14.017 -16.060 3.585 1.00 0.00 O ATOM 157 CB GLU A 14 -13.465 -18.864 2.971 1.00 0.00 C ATOM 158 CG GLU A 14 -14.181 -19.478 1.779 1.00 0.00 C ATOM 159 CD GLU A 14 -15.424 -20.249 2.179 1.00 0.00 C ATOM 160 OE1 GLU A 14 -16.462 -19.604 2.441 1.00 0.00 O ATOM 161 OE2 GLU A 14 -15.360 -21.494 2.231 1.00 0.00 O ATOM 0 H GLU A 14 -11.622 -17.977 4.458 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.158 -17.852 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.871 -19.634 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.206 -18.523 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.457 -18.689 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.498 -20.145 1.254 1.00 0.00 H new ATOM 168 N TYR A 15 -13.280 -15.658 1.497 1.00 0.00 N ATOM 169 CA TYR A 15 -13.993 -14.392 1.372 1.00 0.00 C ATOM 170 C TYR A 15 -14.545 -14.215 -0.039 1.00 0.00 C ATOM 171 O TYR A 15 -13.988 -14.713 -1.018 1.00 0.00 O ATOM 172 CB TYR A 15 -13.068 -13.226 1.721 1.00 0.00 C ATOM 173 CG TYR A 15 -12.242 -13.458 2.967 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.805 -13.333 4.230 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.899 -13.804 2.879 1.00 0.00 C ATOM 176 CE1 TYR A 15 -12.055 -13.544 5.371 1.00 0.00 C ATOM 177 CE2 TYR A 15 -10.142 -14.017 4.015 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.724 -13.886 5.258 1.00 0.00 C ATOM 179 OH TYR A 15 -9.973 -14.099 6.391 1.00 0.00 O ATOM 0 H TYR A 15 -12.735 -15.918 0.675 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.830 -14.404 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.398 -13.041 0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.667 -12.326 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.847 -13.066 4.322 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.440 -13.908 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.509 -13.442 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.099 -14.285 3.930 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.056 -14.333 6.136 1.00 0.00 H new ATOM 189 N PRO A 16 -15.666 -13.488 -0.148 1.00 0.00 N ATOM 190 CA PRO A 16 -16.318 -13.226 -1.434 1.00 0.00 C ATOM 191 C PRO A 16 -15.505 -12.284 -2.314 1.00 0.00 C ATOM 192 O PRO A 16 -14.948 -11.296 -1.835 1.00 0.00 O ATOM 193 CB PRO A 16 -17.644 -12.574 -1.033 1.00 0.00 C ATOM 194 CG PRO A 16 -17.378 -11.963 0.299 1.00 0.00 C ATOM 195 CD PRO A 16 -16.384 -12.865 0.978 1.00 0.00 C ATOM 0 HA PRO A 16 -16.436 -14.135 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.951 -11.822 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.446 -13.310 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.980 -10.954 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.295 -11.884 0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.709 -12.305 1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.878 -13.610 1.602 1.00 0.00 H new ATOM 203 N VAL A 17 -15.441 -12.595 -3.605 1.00 0.00 N ATOM 204 CA VAL A 17 -14.697 -11.775 -4.553 1.00 0.00 C ATOM 205 C VAL A 17 -14.992 -10.293 -4.349 1.00 0.00 C ATOM 206 O VAL A 17 -14.181 -9.435 -4.696 1.00 0.00 O ATOM 207 CB VAL A 17 -15.031 -12.156 -6.009 1.00 0.00 C ATOM 208 CG1 VAL A 17 -16.259 -11.399 -6.491 1.00 0.00 C ATOM 209 CG2 VAL A 17 -13.839 -11.889 -6.915 1.00 0.00 C ATOM 0 H VAL A 17 -15.896 -13.409 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.639 -11.961 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.255 -13.222 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.479 -11.681 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.111 -11.646 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.068 -10.327 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.092 -12.163 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.582 -10.830 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.988 -12.482 -6.580 1.00 0.00 H new ATOM 219 N GLU A 18 -16.158 -10.001 -3.781 1.00 0.00 N ATOM 220 CA GLU A 18 -16.559 -8.621 -3.529 1.00 0.00 C ATOM 221 C GLU A 18 -15.572 -7.929 -2.594 1.00 0.00 C ATOM 222 O GLU A 18 -15.182 -6.785 -2.825 1.00 0.00 O ATOM 223 CB GLU A 18 -17.965 -8.578 -2.927 1.00 0.00 C ATOM 224 CG GLU A 18 -19.074 -8.619 -3.965 1.00 0.00 C ATOM 225 CD GLU A 18 -18.853 -7.631 -5.094 1.00 0.00 C ATOM 226 OE1 GLU A 18 -18.450 -6.484 -4.809 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.083 -8.006 -6.263 1.00 0.00 O ATOM 0 H GLU A 18 -16.840 -10.700 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.562 -8.091 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.085 -9.421 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.069 -7.670 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.144 -9.626 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -20.027 -8.405 -3.481 1.00 0.00 H new ATOM 234 N GLN A 19 -15.174 -8.632 -1.538 1.00 0.00 N ATOM 235 CA GLN A 19 -14.233 -8.084 -0.569 1.00 0.00 C ATOM 236 C GLN A 19 -12.796 -8.417 -0.955 1.00 0.00 C ATOM 237 O GLN A 19 -11.957 -8.683 -0.095 1.00 0.00 O ATOM 238 CB GLN A 19 -14.536 -8.627 0.830 1.00 0.00 C ATOM 239 CG GLN A 19 -15.785 -8.028 1.457 1.00 0.00 C ATOM 240 CD GLN A 19 -16.250 -8.798 2.678 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.566 -9.706 3.152 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.418 -8.436 3.195 1.00 0.00 N ATOM 0 H GLN A 19 -15.488 -9.580 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.346 -7.000 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.651 -9.709 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.683 -8.430 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.586 -6.994 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.585 -8.009 0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.951 -7.678 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.782 -8.916 4.018 1.00 0.00 H new ATOM 251 N MET A 20 -12.520 -8.401 -2.255 1.00 0.00 N ATOM 252 CA MET A 20 -11.183 -8.701 -2.756 1.00 0.00 C ATOM 253 C MET A 20 -10.787 -7.730 -3.864 1.00 0.00 C ATOM 254 O MET A 20 -11.644 -7.143 -4.525 1.00 0.00 O ATOM 255 CB MET A 20 -11.120 -10.138 -3.275 1.00 0.00 C ATOM 256 CG MET A 20 -11.697 -11.159 -2.307 1.00 0.00 C ATOM 257 SD MET A 20 -10.555 -11.579 -0.977 1.00 0.00 S ATOM 258 CE MET A 20 -9.288 -12.463 -1.884 1.00 0.00 C ATOM 0 H MET A 20 -13.204 -8.184 -2.980 1.00 0.00 H new ATOM 0 HA MET A 20 -10.480 -8.589 -1.931 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.661 -10.199 -4.219 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.082 -10.395 -3.485 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.619 -10.767 -1.878 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.960 -12.064 -2.854 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.206 -13.479 -1.498 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.553 -12.496 -2.941 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.332 -11.952 -1.766 1.00 0.00 H new ATOM 268 N THR A 21 -9.484 -7.564 -4.062 1.00 0.00 N ATOM 269 CA THR A 21 -8.975 -6.664 -5.090 1.00 0.00 C ATOM 270 C THR A 21 -7.919 -7.351 -5.949 1.00 0.00 C ATOM 271 O THR A 21 -6.967 -7.937 -5.432 1.00 0.00 O ATOM 272 CB THR A 21 -8.368 -5.391 -4.470 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.365 -4.686 -3.723 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.798 -4.482 -5.548 1.00 0.00 C ATOM 0 H THR A 21 -8.761 -8.041 -3.524 1.00 0.00 H new ATOM 0 HA THR A 21 -9.823 -6.386 -5.716 1.00 0.00 H new ATOM 0 HB THR A 21 -7.559 -5.689 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.970 -3.879 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.375 -3.590 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.018 -5.011 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.592 -4.192 -6.237 1.00 0.00 H new ATOM 282 N THR A 22 -8.093 -7.274 -7.264 1.00 0.00 N ATOM 283 CA THR A 22 -7.155 -7.889 -8.196 1.00 0.00 C ATOM 284 C THR A 22 -6.189 -6.856 -8.765 1.00 0.00 C ATOM 285 O THR A 22 -6.606 -5.807 -9.256 1.00 0.00 O ATOM 286 CB THR A 22 -7.890 -8.583 -9.358 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.770 -9.592 -8.849 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.900 -9.210 -10.328 1.00 0.00 C ATOM 0 H THR A 22 -8.874 -6.792 -7.708 1.00 0.00 H new ATOM 0 HA THR A 22 -6.595 -8.636 -7.634 1.00 0.00 H new ATOM 0 HB THR A 22 -8.470 -7.830 -9.892 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.235 -10.027 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.443 -9.694 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.251 -8.436 -10.737 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.296 -9.950 -9.804 1.00 0.00 H new ATOM 296 N ILE A 23 -4.898 -7.161 -8.698 1.00 0.00 N ATOM 297 CA ILE A 23 -3.873 -6.259 -9.209 1.00 0.00 C ATOM 298 C ILE A 23 -3.770 -6.348 -10.728 1.00 0.00 C ATOM 299 O ILE A 23 -3.710 -7.439 -11.294 1.00 0.00 O ATOM 300 CB ILE A 23 -2.494 -6.566 -8.594 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.584 -6.574 -7.066 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.466 -5.548 -9.064 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.415 -7.260 -6.396 1.00 0.00 C ATOM 0 H ILE A 23 -4.537 -8.026 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.172 -5.250 -8.925 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.176 -7.554 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.645 -5.546 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.507 -7.071 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.497 -5.778 -8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.387 -5.586 -10.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.777 -4.549 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.546 -7.228 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.365 -8.298 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.490 -6.749 -6.665 1.00 0.00 H new ATOM 315 N ALA A 24 -3.750 -5.191 -11.382 1.00 0.00 N ATOM 316 CA ALA A 24 -3.651 -5.138 -12.836 1.00 0.00 C ATOM 317 C ALA A 24 -2.194 -5.101 -13.285 1.00 0.00 C ATOM 318 O ALA A 24 -1.881 -4.601 -14.366 1.00 0.00 O ATOM 319 CB ALA A 24 -4.401 -3.928 -13.372 1.00 0.00 C ATOM 0 H ALA A 24 -3.801 -4.279 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.106 -6.042 -13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.319 -3.901 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.451 -3.996 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.971 -3.018 -12.953 1.00 0.00 H new ATOM 325 N GLN A 25 -1.308 -5.634 -12.449 1.00 0.00 N ATOM 326 CA GLN A 25 0.116 -5.659 -12.762 1.00 0.00 C ATOM 327 C GLN A 25 0.630 -7.094 -12.841 1.00 0.00 C ATOM 328 O GLN A 25 1.268 -7.483 -13.820 1.00 0.00 O ATOM 329 CB GLN A 25 0.905 -4.879 -11.709 1.00 0.00 C ATOM 330 CG GLN A 25 0.969 -3.385 -11.981 1.00 0.00 C ATOM 331 CD GLN A 25 1.769 -3.051 -13.223 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.208 -2.835 -14.298 1.00 0.00 O ATOM 333 NE2 GLN A 25 3.089 -3.006 -13.083 1.00 0.00 N ATOM 0 H GLN A 25 -1.551 -6.053 -11.552 1.00 0.00 H new ATOM 0 HA GLN A 25 0.258 -5.187 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.451 -5.043 -10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.919 -5.275 -11.660 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.043 -2.996 -12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.413 -2.882 -11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.512 -3.192 -12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.680 -2.786 -13.885 1.00 0.00 H new ATOM 342 N CYS A 26 0.350 -7.874 -11.803 1.00 0.00 N ATOM 343 CA CYS A 26 0.783 -9.266 -11.753 1.00 0.00 C ATOM 344 C CYS A 26 -0.409 -10.202 -11.579 1.00 0.00 C ATOM 345 O CYS A 26 -0.251 -11.354 -11.177 1.00 0.00 O ATOM 346 CB CYS A 26 1.779 -9.471 -10.609 1.00 0.00 C ATOM 347 SG CYS A 26 1.191 -8.861 -8.996 1.00 0.00 S ATOM 0 H CYS A 26 -0.175 -7.566 -10.984 1.00 0.00 H new ATOM 0 HA CYS A 26 1.272 -9.502 -12.698 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.005 -10.534 -10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.712 -8.966 -10.859 1.00 0.00 H new ATOM 0 HG CYS A 26 0.820 -9.867 -8.261 1.00 0.00 H new ATOM 352 N GLN A 27 -1.599 -9.698 -11.885 1.00 0.00 N ATOM 353 CA GLN A 27 -2.818 -10.487 -11.762 1.00 0.00 C ATOM 354 C GLN A 27 -2.867 -11.207 -10.417 1.00 0.00 C ATOM 355 O GLN A 27 -3.176 -12.398 -10.350 1.00 0.00 O ATOM 356 CB GLN A 27 -2.909 -11.505 -12.901 1.00 0.00 C ATOM 357 CG GLN A 27 -3.342 -10.897 -14.226 1.00 0.00 C ATOM 358 CD GLN A 27 -4.780 -10.422 -14.207 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.707 -11.217 -14.048 1.00 0.00 O ATOM 360 NE2 GLN A 27 -4.976 -9.118 -14.371 1.00 0.00 N ATOM 0 H GLN A 27 -1.745 -8.746 -12.220 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.668 -9.807 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.937 -11.982 -13.030 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.614 -12.288 -12.622 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.689 -10.058 -14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.218 -11.635 -15.018 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.179 -8.495 -14.500 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.924 -8.740 -14.368 1.00 0.00 H new ATOM 369 N CYS A 28 -2.560 -10.477 -9.351 1.00 0.00 N ATOM 370 CA CYS A 28 -2.568 -11.045 -8.008 1.00 0.00 C ATOM 371 C CYS A 28 -3.744 -10.508 -7.197 1.00 0.00 C ATOM 372 O CYS A 28 -3.864 -9.301 -6.984 1.00 0.00 O ATOM 373 CB CYS A 28 -1.253 -10.730 -7.291 1.00 0.00 C ATOM 374 SG CYS A 28 0.165 -11.712 -7.874 1.00 0.00 S ATOM 0 H CYS A 28 -2.303 -9.491 -9.390 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.675 -12.126 -8.098 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.026 -9.672 -7.420 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.384 -10.900 -6.222 1.00 0.00 H new ATOM 0 HG CYS A 28 0.191 -11.707 -9.174 1.00 0.00 H new ATOM 379 N ILE A 29 -4.607 -11.411 -6.748 1.00 0.00 N ATOM 380 CA ILE A 29 -5.773 -11.029 -5.960 1.00 0.00 C ATOM 381 C ILE A 29 -5.469 -11.085 -4.466 1.00 0.00 C ATOM 382 O ILE A 29 -4.771 -11.985 -3.998 1.00 0.00 O ATOM 383 CB ILE A 29 -6.979 -11.937 -6.262 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.273 -11.281 -5.775 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.793 -13.299 -5.610 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.506 -11.757 -6.510 1.00 0.00 C ATOM 0 H ILE A 29 -4.522 -12.413 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.021 -10.005 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.048 -12.078 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.394 -11.482 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.187 -10.200 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.654 -13.930 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.889 -13.768 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.703 -13.176 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.385 -11.250 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.406 -11.532 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.616 -12.833 -6.376 1.00 0.00 H new ATOM 398 N PHE A 30 -5.999 -10.119 -3.723 1.00 0.00 N ATOM 399 CA PHE A 30 -5.785 -10.059 -2.282 1.00 0.00 C ATOM 400 C PHE A 30 -6.965 -9.389 -1.585 1.00 0.00 C ATOM 401 O PHE A 30 -7.524 -8.413 -2.087 1.00 0.00 O ATOM 402 CB PHE A 30 -4.494 -9.301 -1.967 1.00 0.00 C ATOM 403 CG PHE A 30 -3.256 -10.003 -2.445 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.837 -11.181 -1.848 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.508 -9.484 -3.491 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.697 -11.830 -2.285 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.368 -10.129 -3.932 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.961 -11.303 -3.328 1.00 0.00 C ATOM 0 H PHE A 30 -6.580 -9.367 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.698 -11.080 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.541 -8.313 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.424 -9.151 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.408 -11.597 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.820 -8.566 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.382 -12.748 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.795 -9.715 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.070 -11.807 -3.671 1.00 0.00 H new ATOM 418 N CYS A 31 -7.338 -9.917 -0.425 1.00 0.00 N ATOM 419 CA CYS A 31 -8.452 -9.372 0.341 1.00 0.00 C ATOM 420 C CYS A 31 -8.127 -7.972 0.853 1.00 0.00 C ATOM 421 O CYS A 31 -7.069 -7.744 1.443 1.00 0.00 O ATOM 422 CB CYS A 31 -8.788 -10.292 1.518 1.00 0.00 C ATOM 423 SG CYS A 31 -7.606 -10.190 2.901 1.00 0.00 S ATOM 0 H CYS A 31 -6.885 -10.723 0.006 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.317 -9.307 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.784 -10.045 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.826 -11.321 1.162 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.393 -10.292 2.444 1.00 0.00 H new ATOM 428 N THR A 32 -9.043 -7.037 0.625 1.00 0.00 N ATOM 429 CA THR A 32 -8.853 -5.659 1.061 1.00 0.00 C ATOM 430 C THR A 32 -8.053 -5.597 2.356 1.00 0.00 C ATOM 431 O THR A 32 -6.993 -4.971 2.414 1.00 0.00 O ATOM 432 CB THR A 32 -10.203 -4.945 1.269 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.940 -4.923 0.042 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.991 -3.523 1.766 1.00 0.00 C ATOM 0 H THR A 32 -9.924 -7.209 0.141 1.00 0.00 H new ATOM 0 HA THR A 32 -8.299 -5.151 0.271 1.00 0.00 H new ATOM 0 HB THR A 32 -10.769 -5.495 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.797 -4.469 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.957 -3.039 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.456 -3.545 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.408 -2.965 1.034 1.00 0.00 H new ATOM 442 N LEU A 33 -8.564 -6.251 3.394 1.00 0.00 N ATOM 443 CA LEU A 33 -7.896 -6.271 4.690 1.00 0.00 C ATOM 444 C LEU A 33 -6.381 -6.313 4.521 1.00 0.00 C ATOM 445 O LEU A 33 -5.681 -5.353 4.844 1.00 0.00 O ATOM 446 CB LEU A 33 -8.363 -7.476 5.508 1.00 0.00 C ATOM 447 CG LEU A 33 -9.852 -7.514 5.855 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.237 -8.880 6.403 1.00 0.00 C ATOM 449 CD2 LEU A 33 -10.195 -6.421 6.858 1.00 0.00 C ATOM 0 H LEU A 33 -9.439 -6.774 3.363 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.159 -5.356 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.116 -8.383 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.793 -7.503 6.437 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.422 -7.335 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.300 -8.889 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.029 -9.644 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.659 -9.087 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.259 -6.463 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.616 -6.569 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.957 -5.447 6.431 1.00 0.00 H new ATOM 461 N CYS A 34 -5.879 -7.433 4.011 1.00 0.00 N ATOM 462 CA CYS A 34 -4.447 -7.602 3.796 1.00 0.00 C ATOM 463 C CYS A 34 -3.866 -6.410 3.041 1.00 0.00 C ATOM 464 O CYS A 34 -3.086 -5.632 3.593 1.00 0.00 O ATOM 465 CB CYS A 34 -4.175 -8.892 3.020 1.00 0.00 C ATOM 466 SG CYS A 34 -4.490 -10.413 3.973 1.00 0.00 S ATOM 0 H CYS A 34 -6.444 -8.238 3.739 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.964 -7.663 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.796 -8.902 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.137 -8.892 2.689 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.764 -10.673 3.966 1.00 0.00 H new ATOM 471 N LEU A 35 -4.251 -6.273 1.777 1.00 0.00 N ATOM 472 CA LEU A 35 -3.769 -5.175 0.946 1.00 0.00 C ATOM 473 C LEU A 35 -3.669 -3.884 1.752 1.00 0.00 C ATOM 474 O LEU A 35 -2.716 -3.119 1.604 1.00 0.00 O ATOM 475 CB LEU A 35 -4.698 -4.971 -0.252 1.00 0.00 C ATOM 476 CG LEU A 35 -4.325 -5.727 -1.528 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.472 -5.690 -2.526 1.00 0.00 C ATOM 478 CD2 LEU A 35 -3.062 -5.143 -2.144 1.00 0.00 C ATOM 0 H LEU A 35 -4.895 -6.908 1.305 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.773 -5.434 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.705 -5.267 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.733 -3.906 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.131 -6.767 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.188 -6.233 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.353 -6.155 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.698 -4.655 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.812 -5.693 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.229 -4.094 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.240 -5.223 -1.433 1.00 0.00 H new ATOM 490 N LYS A 36 -4.657 -3.649 2.608 1.00 0.00 N ATOM 491 CA LYS A 36 -4.681 -2.453 3.441 1.00 0.00 C ATOM 492 C LYS A 36 -3.456 -2.399 4.349 1.00 0.00 C ATOM 493 O LYS A 36 -2.640 -1.484 4.251 1.00 0.00 O ATOM 494 CB LYS A 36 -5.957 -2.419 4.285 1.00 0.00 C ATOM 495 CG LYS A 36 -6.187 -1.091 4.985 1.00 0.00 C ATOM 496 CD LYS A 36 -7.658 -0.877 5.305 1.00 0.00 C ATOM 497 CE LYS A 36 -7.953 0.582 5.615 1.00 0.00 C ATOM 498 NZ LYS A 36 -7.330 1.015 6.897 1.00 0.00 N ATOM 0 H LYS A 36 -5.453 -4.272 2.743 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.664 -1.583 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.812 -2.636 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.910 -3.211 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.605 -1.058 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.829 -0.278 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.266 -1.201 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.940 -1.496 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.584 1.208 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.031 0.731 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.728 1.932 7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.525 0.308 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.302 1.108 6.769 1.00 0.00 H new ATOM 512 N GLN A 37 -3.336 -3.386 5.231 1.00 0.00 N ATOM 513 CA GLN A 37 -2.210 -3.450 6.156 1.00 0.00 C ATOM 514 C GLN A 37 -0.884 -3.448 5.401 1.00 0.00 C ATOM 515 O GLN A 37 0.052 -2.742 5.774 1.00 0.00 O ATOM 516 CB GLN A 37 -2.311 -4.702 7.030 1.00 0.00 C ATOM 517 CG GLN A 37 -3.256 -4.546 8.209 1.00 0.00 C ATOM 518 CD GLN A 37 -4.693 -4.875 7.855 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.527 -3.983 7.703 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.988 -6.163 7.720 1.00 0.00 N ATOM 0 H GLN A 37 -4.004 -4.151 5.325 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.245 -2.567 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.645 -5.538 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.318 -4.956 7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.928 -5.196 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.203 -3.522 8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.264 -6.869 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.938 -6.446 7.481 1.00 0.00 H new ATOM 529 N TYR A 38 -0.814 -4.241 4.339 1.00 0.00 N ATOM 530 CA TYR A 38 0.398 -4.333 3.533 1.00 0.00 C ATOM 531 C TYR A 38 0.869 -2.949 3.097 1.00 0.00 C ATOM 532 O TYR A 38 1.871 -2.436 3.594 1.00 0.00 O ATOM 533 CB TYR A 38 0.153 -5.211 2.304 1.00 0.00 C ATOM 534 CG TYR A 38 1.312 -5.230 1.333 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.526 -5.809 1.681 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.193 -4.667 0.068 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.588 -5.829 0.798 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.250 -4.683 -0.822 1.00 0.00 C ATOM 539 CZ TYR A 38 3.444 -5.265 -0.453 1.00 0.00 C ATOM 540 OH TYR A 38 4.499 -5.281 -1.337 1.00 0.00 O ATOM 0 H TYR A 38 -1.582 -4.830 4.015 1.00 0.00 H new ATOM 0 HA TYR A 38 1.178 -4.786 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.053 -6.230 2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.738 -4.856 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.641 -6.251 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.259 -4.210 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.525 -6.283 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.141 -4.242 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 38 4.413 -4.532 -1.963 1.00 0.00 H new ATOM 550 N VAL A 39 0.136 -2.348 2.165 1.00 0.00 N ATOM 551 CA VAL A 39 0.475 -1.022 1.661 1.00 0.00 C ATOM 552 C VAL A 39 0.693 -0.040 2.807 1.00 0.00 C ATOM 553 O VAL A 39 1.650 0.735 2.799 1.00 0.00 O ATOM 554 CB VAL A 39 -0.624 -0.476 0.733 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.938 -1.474 -0.371 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.876 -0.140 1.530 1.00 0.00 C ATOM 0 H VAL A 39 -0.697 -2.759 1.743 1.00 0.00 H new ATOM 0 HA VAL A 39 1.399 -1.125 1.093 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.259 0.440 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.718 -1.069 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.040 -1.660 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.282 -2.409 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.643 0.245 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.245 -1.039 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.639 0.615 2.280 1.00 0.00 H new ATOM 566 N GLU A 40 -0.199 -0.078 3.791 1.00 0.00 N ATOM 567 CA GLU A 40 -0.104 0.810 4.943 1.00 0.00 C ATOM 568 C GLU A 40 1.285 0.740 5.570 1.00 0.00 C ATOM 569 O GLU A 40 2.002 1.741 5.632 1.00 0.00 O ATOM 570 CB GLU A 40 -1.164 0.446 5.985 1.00 0.00 C ATOM 571 CG GLU A 40 -2.477 1.190 5.802 1.00 0.00 C ATOM 572 CD GLU A 40 -3.214 1.403 7.110 1.00 0.00 C ATOM 573 OE1 GLU A 40 -2.541 1.575 8.148 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.463 1.396 7.096 1.00 0.00 O ATOM 0 H GLU A 40 -0.996 -0.714 3.814 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.278 1.829 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.354 -0.626 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.772 0.658 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.281 2.157 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.115 0.631 5.117 1.00 0.00 H new ATOM 581 N LEU A 41 1.659 -0.447 6.034 1.00 0.00 N ATOM 582 CA LEU A 41 2.963 -0.649 6.657 1.00 0.00 C ATOM 583 C LEU A 41 4.075 -0.057 5.797 1.00 0.00 C ATOM 584 O LEU A 41 4.788 0.851 6.224 1.00 0.00 O ATOM 585 CB LEU A 41 3.216 -2.140 6.884 1.00 0.00 C ATOM 586 CG LEU A 41 2.769 -2.700 8.235 1.00 0.00 C ATOM 587 CD1 LEU A 41 1.336 -3.203 8.158 1.00 0.00 C ATOM 588 CD2 LEU A 41 3.704 -3.812 8.688 1.00 0.00 C ATOM 0 H LEU A 41 1.078 -1.284 5.991 1.00 0.00 H new ATOM 0 HA LEU A 41 2.962 -0.137 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.709 -2.698 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.284 -2.328 6.771 1.00 0.00 H new ATOM 0 HG LEU A 41 2.810 -1.897 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.036 -3.598 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.676 -2.381 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.267 -3.992 7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.370 -4.198 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.696 -4.616 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.716 -3.419 8.786 1.00 0.00 H new ATOM 600 N LEU A 42 4.218 -0.578 4.584 1.00 0.00 N ATOM 601 CA LEU A 42 5.241 -0.100 3.661 1.00 0.00 C ATOM 602 C LEU A 42 5.337 1.421 3.693 1.00 0.00 C ATOM 603 O LEU A 42 6.424 1.988 3.589 1.00 0.00 O ATOM 604 CB LEU A 42 4.937 -0.574 2.239 1.00 0.00 C ATOM 605 CG LEU A 42 5.551 -1.914 1.832 1.00 0.00 C ATOM 606 CD1 LEU A 42 5.071 -2.323 0.448 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.070 -1.839 1.871 1.00 0.00 C ATOM 0 H LEU A 42 3.638 -1.332 4.216 1.00 0.00 H new ATOM 0 HA LEU A 42 6.199 -0.512 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.855 -0.643 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.284 0.188 1.541 1.00 0.00 H new ATOM 0 HG LEU A 42 5.226 -2.672 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.518 -3.279 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.985 -2.419 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.365 -1.565 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.489 -2.802 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.414 -1.068 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.396 -1.593 2.882 1.00 0.00 H new ATOM 619 N ILE A 43 4.190 2.077 3.839 1.00 0.00 N ATOM 620 CA ILE A 43 4.144 3.533 3.888 1.00 0.00 C ATOM 621 C ILE A 43 4.605 4.052 5.246 1.00 0.00 C ATOM 622 O ILE A 43 5.274 5.083 5.335 1.00 0.00 O ATOM 623 CB ILE A 43 2.726 4.062 3.604 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.270 3.636 2.208 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.688 5.576 3.742 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.767 3.510 2.074 1.00 0.00 C ATOM 0 H ILE A 43 3.281 1.623 3.925 1.00 0.00 H new ATOM 0 HA ILE A 43 4.820 3.896 3.114 1.00 0.00 H new ATOM 0 HB ILE A 43 2.041 3.634 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.632 4.361 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.730 2.679 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.679 5.935 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.975 5.856 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.383 6.024 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.517 3.205 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.400 2.763 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.301 4.471 2.289 1.00 0.00 H new ATOM 638 N LYS A 44 4.246 3.331 6.302 1.00 0.00 N ATOM 639 CA LYS A 44 4.625 3.715 7.657 1.00 0.00 C ATOM 640 C LYS A 44 6.142 3.756 7.806 1.00 0.00 C ATOM 641 O LYS A 44 6.677 4.539 8.591 1.00 0.00 O ATOM 642 CB LYS A 44 4.028 2.739 8.672 1.00 0.00 C ATOM 643 CG LYS A 44 2.512 2.659 8.621 1.00 0.00 C ATOM 644 CD LYS A 44 1.867 3.766 9.438 1.00 0.00 C ATOM 645 CE LYS A 44 1.553 4.982 8.579 1.00 0.00 C ATOM 646 NZ LYS A 44 0.184 4.912 7.999 1.00 0.00 N ATOM 0 H LYS A 44 3.692 2.476 6.246 1.00 0.00 H new ATOM 0 HA LYS A 44 4.232 4.713 7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.442 1.746 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.334 3.038 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.178 2.728 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.185 1.690 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.949 3.395 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.533 4.055 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.647 5.886 9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.285 5.057 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.143 5.871 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.202 4.330 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.465 4.486 8.691 1.00 0.00 H new ATOM 660 N GLU A 45 6.830 2.908 7.047 1.00 0.00 N ATOM 661 CA GLU A 45 8.287 2.849 7.096 1.00 0.00 C ATOM 662 C GLU A 45 8.903 4.100 6.477 1.00 0.00 C ATOM 663 O GLU A 45 9.587 4.869 7.153 1.00 0.00 O ATOM 664 CB GLU A 45 8.794 1.604 6.366 1.00 0.00 C ATOM 665 CG GLU A 45 10.270 1.325 6.592 1.00 0.00 C ATOM 666 CD GLU A 45 10.546 0.704 7.949 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.748 -0.153 8.381 1.00 0.00 O ATOM 668 OE2 GLU A 45 11.558 1.077 8.577 1.00 0.00 O ATOM 0 H GLU A 45 6.403 2.253 6.392 1.00 0.00 H new ATOM 0 HA GLU A 45 8.588 2.796 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.215 0.740 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.615 1.721 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.634 0.658 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.830 2.256 6.502 1.00 0.00 H new ATOM 675 N GLY A 46 8.656 4.298 5.186 1.00 0.00 N ATOM 676 CA GLY A 46 9.193 5.456 4.496 1.00 0.00 C ATOM 677 C GLY A 46 10.315 5.094 3.542 1.00 0.00 C ATOM 678 O GLY A 46 10.472 5.719 2.492 1.00 0.00 O ATOM 0 H GLY A 46 8.093 3.677 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.394 5.948 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.561 6.174 5.229 1.00 0.00 H new ATOM 682 N LEU A 47 11.097 4.085 3.907 1.00 0.00 N ATOM 683 CA LEU A 47 12.212 3.641 3.077 1.00 0.00 C ATOM 684 C LEU A 47 11.756 3.390 1.643 1.00 0.00 C ATOM 685 O LEU A 47 12.125 4.125 0.728 1.00 0.00 O ATOM 686 CB LEU A 47 12.831 2.369 3.657 1.00 0.00 C ATOM 687 CG LEU A 47 13.763 1.592 2.727 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.996 2.417 2.395 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.162 0.265 3.358 1.00 0.00 C ATOM 0 H LEU A 47 10.980 3.558 4.773 1.00 0.00 H new ATOM 0 HA LEU A 47 12.963 4.431 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.387 2.637 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.024 1.705 3.968 1.00 0.00 H new ATOM 0 HG LEU A 47 13.229 1.385 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.647 1.847 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.694 3.340 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.532 2.656 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.825 -0.274 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.677 0.451 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.269 -0.332 3.544 1.00 0.00 H new ATOM 701 N GLU A 48 10.950 2.349 1.458 1.00 0.00 N ATOM 702 CA GLU A 48 10.443 2.003 0.134 1.00 0.00 C ATOM 703 C GLU A 48 9.159 2.768 -0.173 1.00 0.00 C ATOM 704 O GLU A 48 8.107 2.499 0.407 1.00 0.00 O ATOM 705 CB GLU A 48 10.188 0.498 0.040 1.00 0.00 C ATOM 706 CG GLU A 48 11.420 -0.306 -0.339 1.00 0.00 C ATOM 707 CD GLU A 48 12.235 0.357 -1.432 1.00 0.00 C ATOM 708 OE1 GLU A 48 11.787 0.346 -2.597 1.00 0.00 O ATOM 709 OE2 GLU A 48 13.323 0.887 -1.122 1.00 0.00 O ATOM 0 H GLU A 48 10.634 1.732 2.206 1.00 0.00 H new ATOM 0 HA GLU A 48 11.197 2.283 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.813 0.141 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.405 0.316 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.045 -0.443 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.114 -1.298 -0.670 1.00 0.00 H new ATOM 716 N THR A 49 9.254 3.726 -1.090 1.00 0.00 N ATOM 717 CA THR A 49 8.102 4.532 -1.475 1.00 0.00 C ATOM 718 C THR A 49 7.145 3.738 -2.358 1.00 0.00 C ATOM 719 O THR A 49 5.929 3.904 -2.277 1.00 0.00 O ATOM 720 CB THR A 49 8.534 5.807 -2.223 1.00 0.00 C ATOM 721 OG1 THR A 49 7.381 6.570 -2.597 1.00 0.00 O ATOM 722 CG2 THR A 49 9.343 5.460 -3.463 1.00 0.00 C ATOM 0 H THR A 49 10.117 3.963 -1.580 1.00 0.00 H new ATOM 0 HA THR A 49 7.592 4.815 -0.554 1.00 0.00 H new ATOM 0 HB THR A 49 9.160 6.399 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.664 7.380 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.637 6.377 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.235 4.905 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.738 4.849 -4.133 1.00 0.00 H new ATOM 730 N ALA A 50 7.704 2.876 -3.201 1.00 0.00 N ATOM 731 CA ALA A 50 6.900 2.054 -4.098 1.00 0.00 C ATOM 732 C ALA A 50 6.224 0.915 -3.340 1.00 0.00 C ATOM 733 O ALA A 50 6.790 0.366 -2.395 1.00 0.00 O ATOM 734 CB ALA A 50 7.761 1.504 -5.225 1.00 0.00 C ATOM 0 H ALA A 50 8.710 2.729 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 50 6.120 2.683 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.147 0.892 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.192 2.330 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.562 0.894 -4.807 1.00 0.00 H new ATOM 740 N ILE A 51 5.014 0.567 -3.763 1.00 0.00 N ATOM 741 CA ILE A 51 4.263 -0.507 -3.125 1.00 0.00 C ATOM 742 C ILE A 51 4.263 -1.765 -3.985 1.00 0.00 C ATOM 743 O ILE A 51 3.291 -2.050 -4.686 1.00 0.00 O ATOM 744 CB ILE A 51 2.807 -0.088 -2.847 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.761 1.336 -2.291 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.151 -1.062 -1.879 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.424 1.480 -0.939 1.00 0.00 C ATOM 0 H ILE A 51 4.533 1.013 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 51 4.759 -0.718 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 51 2.253 -0.110 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.246 2.009 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.721 1.653 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.123 -0.752 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.156 -2.063 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.704 -1.069 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.353 2.516 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.924 0.833 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.473 1.195 -1.016 1.00 0.00 H new ATOM 759 N SER A 52 5.358 -2.515 -3.928 1.00 0.00 N ATOM 760 CA SER A 52 5.485 -3.743 -4.705 1.00 0.00 C ATOM 761 C SER A 52 4.413 -4.753 -4.306 1.00 0.00 C ATOM 762 O SER A 52 3.557 -4.468 -3.467 1.00 0.00 O ATOM 763 CB SER A 52 6.875 -4.354 -4.510 1.00 0.00 C ATOM 764 OG SER A 52 7.183 -4.490 -3.133 1.00 0.00 O ATOM 0 H SER A 52 6.170 -2.294 -3.352 1.00 0.00 H new ATOM 0 HA SER A 52 5.350 -3.493 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.918 -5.330 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.623 -3.725 -4.993 1.00 0.00 H new ATOM 0 HG SER A 52 8.075 -4.884 -3.035 1.00 0.00 H new ATOM 770 N CYS A 53 4.467 -5.934 -4.912 1.00 0.00 N ATOM 771 CA CYS A 53 3.501 -6.987 -4.621 1.00 0.00 C ATOM 772 C CYS A 53 3.776 -7.618 -3.259 1.00 0.00 C ATOM 773 O CYS A 53 4.919 -7.906 -2.900 1.00 0.00 O ATOM 774 CB CYS A 53 3.544 -8.062 -5.710 1.00 0.00 C ATOM 775 SG CYS A 53 2.384 -9.439 -5.440 1.00 0.00 S ATOM 0 H CYS A 53 5.169 -6.186 -5.608 1.00 0.00 H new ATOM 0 HA CYS A 53 2.508 -6.538 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.324 -7.599 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.557 -8.461 -5.772 1.00 0.00 H new ATOM 0 HG CYS A 53 1.649 -9.601 -6.500 1.00 0.00 H new ATOM 780 N PRO A 54 2.706 -7.835 -2.481 1.00 0.00 N ATOM 781 CA PRO A 54 2.806 -8.434 -1.147 1.00 0.00 C ATOM 782 C PRO A 54 3.191 -9.909 -1.200 1.00 0.00 C ATOM 783 O PRO A 54 3.253 -10.581 -0.171 1.00 0.00 O ATOM 784 CB PRO A 54 1.395 -8.270 -0.577 1.00 0.00 C ATOM 785 CG PRO A 54 0.510 -8.198 -1.774 1.00 0.00 C ATOM 786 CD PRO A 54 1.315 -7.517 -2.844 1.00 0.00 C ATOM 0 HA PRO A 54 3.581 -7.960 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.127 -9.110 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.315 -7.368 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.202 -9.194 -2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.399 -7.638 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.063 -7.892 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.139 -6.441 -2.856 1.00 0.00 H new ATOM 794 N ASP A 55 3.448 -10.404 -2.405 1.00 0.00 N ATOM 795 CA ASP A 55 3.828 -11.800 -2.592 1.00 0.00 C ATOM 796 C ASP A 55 5.311 -11.918 -2.933 1.00 0.00 C ATOM 797 O ASP A 55 5.746 -11.506 -4.008 1.00 0.00 O ATOM 798 CB ASP A 55 2.986 -12.437 -3.699 1.00 0.00 C ATOM 799 CG ASP A 55 3.448 -13.839 -4.044 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.668 -14.638 -3.110 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.589 -14.137 -5.248 1.00 0.00 O ATOM 0 H ASP A 55 3.400 -9.860 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 55 3.644 -12.329 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.943 -12.468 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.032 -11.813 -4.591 1.00 0.00 H new ATOM 806 N ALA A 56 6.082 -12.484 -2.009 1.00 0.00 N ATOM 807 CA ALA A 56 7.515 -12.657 -2.212 1.00 0.00 C ATOM 808 C ALA A 56 7.795 -13.713 -3.276 1.00 0.00 C ATOM 809 O ALA A 56 8.833 -13.681 -3.937 1.00 0.00 O ATOM 810 CB ALA A 56 8.191 -13.032 -0.903 1.00 0.00 C ATOM 0 H ALA A 56 5.738 -12.830 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 56 7.925 -11.709 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.261 -13.158 -1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.028 -12.242 -0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.769 -13.965 -0.530 1.00 0.00 H new ATOM 816 N ALA A 57 6.864 -14.646 -3.436 1.00 0.00 N ATOM 817 CA ALA A 57 7.010 -15.712 -4.420 1.00 0.00 C ATOM 818 C ALA A 57 6.396 -15.311 -5.757 1.00 0.00 C ATOM 819 O ALA A 57 6.063 -16.165 -6.580 1.00 0.00 O ATOM 820 CB ALA A 57 6.374 -16.996 -3.909 1.00 0.00 C ATOM 0 H ALA A 57 5.999 -14.686 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 57 8.075 -15.886 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.491 -17.782 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.861 -17.299 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.313 -16.828 -3.723 1.00 0.00 H new ATOM 826 N CYS A 58 6.248 -14.008 -5.968 1.00 0.00 N ATOM 827 CA CYS A 58 5.673 -13.494 -7.206 1.00 0.00 C ATOM 828 C CYS A 58 6.743 -13.344 -8.283 1.00 0.00 C ATOM 829 O CYS A 58 7.634 -12.499 -8.195 1.00 0.00 O ATOM 830 CB CYS A 58 4.994 -12.146 -6.954 1.00 0.00 C ATOM 831 SG CYS A 58 3.960 -11.565 -8.337 1.00 0.00 S ATOM 0 H CYS A 58 6.518 -13.288 -5.298 1.00 0.00 H new ATOM 0 HA CYS A 58 4.929 -14.209 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.376 -12.224 -6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.760 -11.398 -6.748 1.00 0.00 H new ATOM 0 HG CYS A 58 2.705 -11.684 -8.020 1.00 0.00 H new ATOM 836 N PRO A 59 6.656 -14.185 -9.325 1.00 0.00 N ATOM 837 CA PRO A 59 7.607 -14.166 -10.439 1.00 0.00 C ATOM 838 C PRO A 59 7.460 -12.919 -11.306 1.00 0.00 C ATOM 839 O PRO A 59 8.373 -12.555 -12.048 1.00 0.00 O ATOM 840 CB PRO A 59 7.242 -15.419 -11.239 1.00 0.00 C ATOM 841 CG PRO A 59 5.809 -15.670 -10.916 1.00 0.00 C ATOM 842 CD PRO A 59 5.619 -15.217 -9.495 1.00 0.00 C ATOM 0 HA PRO A 59 8.640 -14.151 -10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.385 -15.262 -12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.866 -16.266 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.155 -15.120 -11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.564 -16.726 -11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.620 -14.813 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.750 -16.038 -8.790 1.00 0.00 H new ATOM 850 N LYS A 60 6.307 -12.268 -11.206 1.00 0.00 N ATOM 851 CA LYS A 60 6.039 -11.061 -11.980 1.00 0.00 C ATOM 852 C LYS A 60 6.536 -9.822 -11.243 1.00 0.00 C ATOM 853 O LYS A 60 7.043 -8.885 -11.858 1.00 0.00 O ATOM 854 CB LYS A 60 4.541 -10.933 -12.262 1.00 0.00 C ATOM 855 CG LYS A 60 4.223 -10.082 -13.481 1.00 0.00 C ATOM 856 CD LYS A 60 4.193 -8.602 -13.136 1.00 0.00 C ATOM 857 CE LYS A 60 4.473 -7.740 -14.357 1.00 0.00 C ATOM 858 NZ LYS A 60 4.705 -6.316 -13.989 1.00 0.00 N ATOM 0 H LYS A 60 5.542 -12.556 -10.596 1.00 0.00 H new ATOM 0 HA LYS A 60 6.575 -11.139 -12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.120 -11.928 -12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.051 -10.501 -11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.969 -10.261 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.259 -10.380 -13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.218 -8.343 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.933 -8.392 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.347 -8.126 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.632 -7.804 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.892 -5.761 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.862 -5.939 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.523 -6.251 -13.350 1.00 0.00 H new ATOM 872 N GLN A 61 6.389 -9.826 -9.922 1.00 0.00 N ATOM 873 CA GLN A 61 6.825 -8.701 -9.102 1.00 0.00 C ATOM 874 C GLN A 61 6.106 -7.420 -9.510 1.00 0.00 C ATOM 875 O GLN A 61 6.740 -6.402 -9.787 1.00 0.00 O ATOM 876 CB GLN A 61 8.338 -8.511 -9.221 1.00 0.00 C ATOM 877 CG GLN A 61 9.141 -9.709 -8.737 1.00 0.00 C ATOM 878 CD GLN A 61 10.594 -9.369 -8.473 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.492 -9.851 -9.162 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.833 -8.531 -7.469 1.00 0.00 N ATOM 0 H GLN A 61 5.972 -10.595 -9.397 1.00 0.00 H new ATOM 0 HA GLN A 61 6.575 -8.922 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.590 -8.312 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.632 -7.632 -8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.691 -10.098 -7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.087 -10.503 -9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.058 -8.155 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.792 -8.264 -7.245 1.00 0.00 H new ATOM 889 N GLY A 62 4.778 -7.476 -9.547 1.00 0.00 N ATOM 890 CA GLY A 62 3.995 -6.314 -9.923 1.00 0.00 C ATOM 891 C GLY A 62 3.955 -5.264 -8.830 1.00 0.00 C ATOM 892 O GLY A 62 4.539 -5.446 -7.762 1.00 0.00 O ATOM 0 H GLY A 62 4.230 -8.307 -9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.413 -5.875 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.978 -6.626 -10.160 1.00 0.00 H new ATOM 896 N HIS A 63 3.264 -4.160 -9.098 1.00 0.00 N ATOM 897 CA HIS A 63 3.151 -3.076 -8.129 1.00 0.00 C ATOM 898 C HIS A 63 1.709 -2.586 -8.029 1.00 0.00 C ATOM 899 O HIS A 63 0.882 -2.874 -8.896 1.00 0.00 O ATOM 900 CB HIS A 63 4.070 -1.918 -8.517 1.00 0.00 C ATOM 901 CG HIS A 63 3.596 -0.585 -8.025 1.00 0.00 C ATOM 902 ND1 HIS A 63 2.939 0.324 -8.828 1.00 0.00 N ATOM 903 CD2 HIS A 63 3.683 -0.010 -6.803 1.00 0.00 C ATOM 904 CE1 HIS A 63 2.646 1.401 -8.122 1.00 0.00 C ATOM 905 NE2 HIS A 63 3.087 1.223 -6.889 1.00 0.00 N ATOM 0 H HIS A 63 2.775 -3.993 -9.977 1.00 0.00 H new ATOM 0 HA HIS A 63 3.455 -3.459 -7.155 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.067 -2.108 -8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.159 -1.884 -9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.137 -0.442 -5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.133 2.278 -8.490 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.999 1.893 -6.125 1.00 0.00 H new ATOM 913 N LEU A 64 1.414 -1.843 -6.967 1.00 0.00 N ATOM 914 CA LEU A 64 0.073 -1.313 -6.753 1.00 0.00 C ATOM 915 C LEU A 64 -0.007 0.153 -7.169 1.00 0.00 C ATOM 916 O LEU A 64 0.619 1.016 -6.555 1.00 0.00 O ATOM 917 CB LEU A 64 -0.327 -1.461 -5.284 1.00 0.00 C ATOM 918 CG LEU A 64 -1.056 -2.752 -4.913 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.419 -2.808 -5.586 1.00 0.00 C ATOM 920 CD2 LEU A 64 -0.220 -3.965 -5.296 1.00 0.00 C ATOM 0 H LEU A 64 2.086 -1.595 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.619 -1.885 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.573 -1.388 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.963 -0.618 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.206 -2.765 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.923 -3.734 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.020 -1.958 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.292 -2.772 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.754 -4.875 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.039 -3.957 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.733 -3.932 -4.767 1.00 0.00 H new ATOM 932 N GLN A 65 -0.781 0.424 -8.215 1.00 0.00 N ATOM 933 CA GLN A 65 -0.943 1.786 -8.711 1.00 0.00 C ATOM 934 C GLN A 65 -1.366 2.728 -7.589 1.00 0.00 C ATOM 935 O GLN A 65 -1.945 2.299 -6.591 1.00 0.00 O ATOM 936 CB GLN A 65 -1.976 1.821 -9.838 1.00 0.00 C ATOM 937 CG GLN A 65 -1.515 1.124 -11.108 1.00 0.00 C ATOM 938 CD GLN A 65 -2.663 0.788 -12.039 1.00 0.00 C ATOM 939 OE1 GLN A 65 -3.324 1.678 -12.576 1.00 0.00 O ATOM 940 NE2 GLN A 65 -2.907 -0.502 -12.237 1.00 0.00 N ATOM 0 H GLN A 65 -1.305 -0.280 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 65 0.019 2.121 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.897 1.353 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.214 2.859 -10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.803 1.763 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.986 0.208 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.335 -1.207 -11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.667 -0.788 -12.854 1.00 0.00 H new ATOM 949 N GLU A 66 -1.072 4.013 -7.759 1.00 0.00 N ATOM 950 CA GLU A 66 -1.421 5.015 -6.759 1.00 0.00 C ATOM 951 C GLU A 66 -2.927 5.037 -6.513 1.00 0.00 C ATOM 952 O GLU A 66 -3.382 4.943 -5.374 1.00 0.00 O ATOM 953 CB GLU A 66 -0.946 6.400 -7.204 1.00 0.00 C ATOM 954 CG GLU A 66 -1.244 7.498 -6.197 1.00 0.00 C ATOM 955 CD GLU A 66 -0.765 8.860 -6.662 1.00 0.00 C ATOM 956 OE1 GLU A 66 -0.829 9.127 -7.880 1.00 0.00 O ATOM 957 OE2 GLU A 66 -0.327 9.659 -5.808 1.00 0.00 O ATOM 0 H GLU A 66 -0.593 4.385 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.922 4.750 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.128 6.366 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.421 6.650 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.318 7.537 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.768 7.254 -5.247 1.00 0.00 H new ATOM 964 N ASN A 67 -3.695 5.162 -7.591 1.00 0.00 N ATOM 965 CA ASN A 67 -5.149 5.198 -7.494 1.00 0.00 C ATOM 966 C ASN A 67 -5.657 4.123 -6.536 1.00 0.00 C ATOM 967 O ASN A 67 -6.538 4.376 -5.716 1.00 0.00 O ATOM 968 CB ASN A 67 -5.779 5.005 -8.874 1.00 0.00 C ATOM 969 CG ASN A 67 -5.586 3.598 -9.406 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.548 3.278 -9.984 1.00 0.00 O ATOM 971 ND2 ASN A 67 -6.590 2.750 -9.212 1.00 0.00 N ATOM 0 H ASN A 67 -3.334 5.240 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.438 6.174 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.845 5.226 -8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.342 5.718 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.518 1.790 -9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.432 3.059 -8.727 1.00 0.00 H new ATOM 978 N GLU A 68 -5.092 2.925 -6.647 1.00 0.00 N ATOM 979 CA GLU A 68 -5.488 1.813 -5.792 1.00 0.00 C ATOM 980 C GLU A 68 -5.363 2.188 -4.318 1.00 0.00 C ATOM 981 O GLU A 68 -6.314 2.047 -3.548 1.00 0.00 O ATOM 982 CB GLU A 68 -4.630 0.581 -6.089 1.00 0.00 C ATOM 983 CG GLU A 68 -5.141 -0.250 -7.254 1.00 0.00 C ATOM 984 CD GLU A 68 -4.748 -1.710 -7.145 1.00 0.00 C ATOM 985 OE1 GLU A 68 -5.220 -2.382 -6.204 1.00 0.00 O ATOM 986 OE2 GLU A 68 -3.971 -2.182 -8.002 1.00 0.00 O ATOM 0 H GLU A 68 -4.359 2.700 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.532 1.580 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.610 0.902 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.588 -0.045 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.227 -0.173 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.751 0.159 -8.186 1.00 0.00 H new ATOM 993 N ILE A 69 -4.185 2.667 -3.933 1.00 0.00 N ATOM 994 CA ILE A 69 -3.936 3.064 -2.553 1.00 0.00 C ATOM 995 C ILE A 69 -4.862 4.201 -2.132 1.00 0.00 C ATOM 996 O ILE A 69 -5.558 4.105 -1.121 1.00 0.00 O ATOM 997 CB ILE A 69 -2.475 3.505 -2.348 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.518 2.415 -2.837 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.219 3.825 -0.884 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.170 2.946 -3.272 1.00 0.00 C ATOM 0 H ILE A 69 -3.388 2.790 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.133 2.189 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.297 4.408 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.372 1.686 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.978 1.887 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.182 4.135 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.881 4.631 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.410 2.939 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.456 2.119 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.304 3.653 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.311 3.449 -2.433 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.866 5.274 -2.916 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.708 6.428 -2.624 1.00 0.00 C ATOM 1014 C GLU A 70 -7.035 5.993 -2.009 1.00 0.00 C ATOM 1015 O GLU A 70 -7.459 6.524 -0.983 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.965 7.235 -3.898 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.422 8.661 -3.635 1.00 0.00 C ATOM 1018 CD GLU A 70 -7.892 8.744 -3.274 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -8.723 8.874 -4.197 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.212 8.678 -2.069 1.00 0.00 O ATOM 0 H GLU A 70 -4.297 5.368 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.182 7.055 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.052 7.259 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.721 6.725 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.828 9.086 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.234 9.268 -4.521 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.685 5.024 -2.645 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.964 4.518 -2.161 1.00 0.00 C ATOM 1029 C CYS A 71 -8.764 3.569 -0.984 1.00 0.00 C ATOM 1030 O CYS A 71 -9.458 3.665 0.027 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.712 3.802 -3.288 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.387 4.910 -4.546 1.00 0.00 S ATOM 0 H CYS A 71 -7.348 4.574 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.558 5.367 -1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.035 3.095 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.527 3.220 -2.857 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.998 4.212 -5.456 1.00 0.00 H new ATOM 1038 N MET A 72 -7.812 2.652 -1.125 1.00 0.00 N ATOM 1039 CA MET A 72 -7.522 1.685 -0.073 1.00 0.00 C ATOM 1040 C MET A 72 -7.373 2.379 1.277 1.00 0.00 C ATOM 1041 O MET A 72 -8.128 2.108 2.211 1.00 0.00 O ATOM 1042 CB MET A 72 -6.245 0.908 -0.404 1.00 0.00 C ATOM 1043 CG MET A 72 -6.140 -0.425 0.319 1.00 0.00 C ATOM 1044 SD MET A 72 -4.655 -1.344 -0.129 1.00 0.00 S ATOM 1045 CE MET A 72 -5.024 -1.775 -1.827 1.00 0.00 C ATOM 0 H MET A 72 -7.229 2.559 -1.957 1.00 0.00 H new ATOM 0 HA MET A 72 -8.358 0.988 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.204 0.733 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.380 1.520 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.144 -0.251 1.395 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.019 -1.028 0.090 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.138 -2.206 -2.294 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.836 -2.502 -1.850 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.322 -0.880 -2.373 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.395 3.274 1.373 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.149 4.007 2.610 1.00 0.00 C ATOM 1057 C VAL A 73 -6.829 5.372 2.584 1.00 0.00 C ATOM 1058 O VAL A 73 -7.124 5.909 1.517 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.642 4.201 2.856 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.915 2.865 2.806 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.057 5.173 1.841 1.00 0.00 C ATOM 0 H VAL A 73 -5.760 3.509 0.610 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.568 3.411 3.421 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.506 4.624 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.851 3.023 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.316 2.204 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.057 2.410 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.991 5.298 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.204 4.780 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.557 6.137 1.931 1.00 0.00 H new ATOM 1071 N ALA A 74 -7.073 5.926 3.766 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.715 7.231 3.879 1.00 0.00 C ATOM 1073 C ALA A 74 -6.734 8.355 3.570 1.00 0.00 C ATOM 1074 O ALA A 74 -5.587 8.106 3.199 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.304 7.408 5.271 1.00 0.00 C ATOM 0 H ALA A 74 -6.837 5.493 4.659 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.520 7.278 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.780 8.386 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.044 6.629 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.510 7.336 6.014 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.191 9.593 3.726 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.352 10.756 3.464 1.00 0.00 C ATOM 1083 C ALA A 75 -5.200 10.836 4.460 1.00 0.00 C ATOM 1084 O ALA A 75 -4.033 10.874 4.070 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.185 12.029 3.512 1.00 0.00 C ATOM 0 H ALA A 75 -8.138 9.816 4.033 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.928 10.651 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.546 12.890 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.970 11.979 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.637 12.131 4.499 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.535 10.864 5.746 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.528 10.942 6.796 1.00 0.00 C ATOM 1093 C GLU A 76 -3.378 9.977 6.521 1.00 0.00 C ATOM 1094 O GLU A 76 -2.257 10.180 6.988 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.153 10.632 8.158 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.082 9.431 8.142 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.458 8.964 9.535 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.544 9.818 10.442 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.666 7.747 9.718 1.00 0.00 O ATOM 0 H GLU A 76 -6.496 10.834 6.085 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.132 11.958 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.357 10.456 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.708 11.505 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.988 9.685 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.602 8.612 7.606 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.666 8.926 5.759 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.657 7.930 5.420 1.00 0.00 C ATOM 1108 C ILE A 77 -2.015 8.234 4.072 1.00 0.00 C ATOM 1109 O ILE A 77 -0.802 8.424 3.979 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.257 6.512 5.383 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.843 6.146 6.748 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -2.200 5.500 4.966 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.803 6.025 7.839 1.00 0.00 C ATOM 0 H ILE A 77 -4.589 8.743 5.365 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.896 7.974 6.199 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.061 6.493 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.573 6.902 7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.380 5.201 6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.639 4.503 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.825 5.753 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.377 5.518 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.290 5.764 8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.086 5.248 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.282 6.976 7.952 1.00 0.00 H new ATOM 1125 N MET A 78 -2.836 8.281 3.028 1.00 0.00 N ATOM 1126 CA MET A 78 -2.349 8.566 1.684 1.00 0.00 C ATOM 1127 C MET A 78 -1.180 9.546 1.726 1.00 0.00 C ATOM 1128 O MET A 78 -0.158 9.334 1.075 1.00 0.00 O ATOM 1129 CB MET A 78 -3.475 9.134 0.819 1.00 0.00 C ATOM 1130 CG MET A 78 -3.116 9.239 -0.655 1.00 0.00 C ATOM 1131 SD MET A 78 -2.703 7.643 -1.383 1.00 0.00 S ATOM 1132 CE MET A 78 -2.081 8.153 -2.983 1.00 0.00 C ATOM 0 H MET A 78 -3.842 8.125 3.087 1.00 0.00 H new ATOM 0 HA MET A 78 -2.001 7.631 1.245 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.357 8.503 0.925 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.744 10.123 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.953 9.676 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.271 9.917 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.265 7.365 -3.713 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.590 9.064 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.010 8.341 -2.914 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.340 10.618 2.495 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.299 11.630 2.620 1.00 0.00 C ATOM 1144 C GLN A 79 1.060 10.985 2.872 1.00 0.00 C ATOM 1145 O GLN A 79 2.036 11.279 2.182 1.00 0.00 O ATOM 1146 CB GLN A 79 -0.634 12.602 3.753 1.00 0.00 C ATOM 1147 CG GLN A 79 0.064 13.946 3.629 1.00 0.00 C ATOM 1148 CD GLN A 79 -0.472 14.974 4.606 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -1.437 15.681 4.314 1.00 0.00 O ATOM 1150 NE2 GLN A 79 0.151 15.062 5.775 1.00 0.00 N ATOM 0 H GLN A 79 -2.181 10.808 3.041 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.251 12.182 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.712 12.763 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.360 12.146 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.133 13.813 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.054 14.320 2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.947 14.456 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.166 15.735 6.473 1.00 0.00 H new ATOM 1159 N ARG A 80 1.116 10.105 3.867 1.00 0.00 N ATOM 1160 CA ARG A 80 2.355 9.420 4.213 1.00 0.00 C ATOM 1161 C ARG A 80 2.942 8.712 2.995 1.00 0.00 C ATOM 1162 O ARG A 80 4.154 8.518 2.901 1.00 0.00 O ATOM 1163 CB ARG A 80 2.108 8.409 5.335 1.00 0.00 C ATOM 1164 CG ARG A 80 1.688 9.048 6.648 1.00 0.00 C ATOM 1165 CD ARG A 80 2.011 8.152 7.832 1.00 0.00 C ATOM 1166 NE ARG A 80 3.325 8.445 8.398 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.541 9.393 9.302 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.534 10.136 9.742 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.766 9.601 9.770 1.00 0.00 N ATOM 0 H ARG A 80 0.317 9.850 4.448 1.00 0.00 H new ATOM 0 HA ARG A 80 3.070 10.167 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.335 7.709 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.017 7.829 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.195 10.006 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.618 9.254 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.249 8.279 8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.976 7.109 7.517 1.00 0.00 H new ATOM 0 HE ARG A 80 4.121 7.891 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.591 9.980 9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.703 10.864 10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.543 9.032 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.930 10.330 10.464 1.00 0.00 H new ATOM 1183 N TYR A 81 2.073 8.326 2.066 1.00 0.00 N ATOM 1184 CA TYR A 81 2.505 7.636 0.856 1.00 0.00 C ATOM 1185 C TYR A 81 2.868 8.633 -0.240 1.00 0.00 C ATOM 1186 O TYR A 81 3.764 8.387 -1.047 1.00 0.00 O ATOM 1187 CB TYR A 81 1.404 6.696 0.361 1.00 0.00 C ATOM 1188 CG TYR A 81 1.637 6.179 -1.041 1.00 0.00 C ATOM 1189 CD1 TYR A 81 2.867 5.652 -1.414 1.00 0.00 C ATOM 1190 CD2 TYR A 81 0.625 6.218 -1.993 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.084 5.180 -2.695 1.00 0.00 C ATOM 1192 CE2 TYR A 81 0.832 5.746 -3.275 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.063 5.228 -3.621 1.00 0.00 C ATOM 1194 OH TYR A 81 2.273 4.759 -4.897 1.00 0.00 O ATOM 0 H TYR A 81 1.066 8.479 2.128 1.00 0.00 H new ATOM 0 HA TYR A 81 3.393 7.051 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.326 5.850 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.449 7.220 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.668 5.610 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.339 6.624 -1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.047 4.776 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.034 5.782 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 81 1.453 4.864 -5.423 1.00 0.00 H new ATOM 1204 N LYS A 82 2.167 9.762 -0.259 1.00 0.00 N ATOM 1205 CA LYS A 82 2.415 10.800 -1.252 1.00 0.00 C ATOM 1206 C LYS A 82 3.781 11.445 -1.036 1.00 0.00 C ATOM 1207 O LYS A 82 4.631 11.435 -1.928 1.00 0.00 O ATOM 1208 CB LYS A 82 1.320 11.867 -1.189 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.047 11.362 -1.615 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.152 12.316 -1.191 1.00 0.00 C ATOM 1211 CE LYS A 82 -2.327 12.272 -2.155 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.141 13.205 -3.300 1.00 0.00 N ATOM 0 H LYS A 82 1.422 9.981 0.403 1.00 0.00 H new ATOM 0 HA LYS A 82 2.404 10.335 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.255 12.249 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.603 12.704 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.068 11.237 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.225 10.380 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.493 12.057 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.758 13.331 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.450 11.256 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.243 12.529 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.963 13.145 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.049 14.178 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.281 12.945 -3.824 1.00 0.00 H new ATOM 1226 N LYS A 83 3.986 12.002 0.152 1.00 0.00 N ATOM 1227 CA LYS A 83 5.250 12.649 0.486 1.00 0.00 C ATOM 1228 C LYS A 83 6.431 11.835 -0.032 1.00 0.00 C ATOM 1229 O LYS A 83 7.371 12.384 -0.610 1.00 0.00 O ATOM 1230 CB LYS A 83 5.367 12.831 2.001 1.00 0.00 C ATOM 1231 CG LYS A 83 5.287 11.529 2.778 1.00 0.00 C ATOM 1232 CD LYS A 83 5.258 11.775 4.278 1.00 0.00 C ATOM 1233 CE LYS A 83 5.790 10.577 5.049 1.00 0.00 C ATOM 1234 NZ LYS A 83 7.250 10.381 4.830 1.00 0.00 N ATOM 0 H LYS A 83 3.293 12.019 0.900 1.00 0.00 H new ATOM 0 HA LYS A 83 5.268 13.627 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.314 13.322 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.573 13.496 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.393 10.981 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.143 10.902 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.855 12.656 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.237 11.988 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.598 10.715 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.253 9.680 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.422 9.419 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.593 11.073 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.757 10.514 5.728 1.00 0.00 H new ATOM 1248 N LEU A 84 6.378 10.524 0.177 1.00 0.00 N ATOM 1249 CA LEU A 84 7.444 9.634 -0.272 1.00 0.00 C ATOM 1250 C LEU A 84 7.687 9.787 -1.770 1.00 0.00 C ATOM 1251 O LEU A 84 8.828 9.748 -2.230 1.00 0.00 O ATOM 1252 CB LEU A 84 7.093 8.182 0.054 1.00 0.00 C ATOM 1253 CG LEU A 84 6.989 7.834 1.539 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.492 6.407 1.720 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.332 8.023 2.227 1.00 0.00 C ATOM 0 H LEU A 84 5.609 10.054 0.654 1.00 0.00 H new ATOM 0 HA LEU A 84 8.358 9.908 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.142 7.943 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.846 7.537 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 84 6.269 8.510 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.424 6.177 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.508 6.304 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.187 5.716 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.238 7.771 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.073 7.373 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.648 9.062 2.129 1.00 0.00 H new ATOM 1267 N GLN A 85 6.607 9.963 -2.524 1.00 0.00 N ATOM 1268 CA GLN A 85 6.703 10.124 -3.971 1.00 0.00 C ATOM 1269 C GLN A 85 7.186 11.524 -4.331 1.00 0.00 C ATOM 1270 O GLN A 85 8.103 11.688 -5.137 1.00 0.00 O ATOM 1271 CB GLN A 85 5.349 9.852 -4.627 1.00 0.00 C ATOM 1272 CG GLN A 85 5.082 8.378 -4.883 1.00 0.00 C ATOM 1273 CD GLN A 85 5.666 7.899 -6.198 1.00 0.00 C ATOM 1274 OE1 GLN A 85 5.081 8.103 -7.262 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.827 7.257 -6.131 1.00 0.00 N ATOM 0 H GLN A 85 5.656 9.998 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 85 7.429 9.402 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.559 10.250 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.298 10.391 -5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.502 7.790 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.006 8.202 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.277 7.110 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.268 6.911 -6.983 1.00 0.00 H new ATOM 1284 N PHE A 86 6.561 12.533 -3.732 1.00 0.00 N ATOM 1285 CA PHE A 86 6.925 13.921 -3.992 1.00 0.00 C ATOM 1286 C PHE A 86 8.394 14.169 -3.663 1.00 0.00 C ATOM 1287 O PHE A 86 9.189 14.503 -4.541 1.00 0.00 O ATOM 1288 CB PHE A 86 6.042 14.864 -3.173 1.00 0.00 C ATOM 1289 CG PHE A 86 6.343 16.317 -3.401 1.00 0.00 C ATOM 1290 CD1 PHE A 86 5.707 17.021 -4.412 1.00 0.00 C ATOM 1291 CD2 PHE A 86 7.265 16.980 -2.606 1.00 0.00 C ATOM 1292 CE1 PHE A 86 5.983 18.359 -4.624 1.00 0.00 C ATOM 1293 CE2 PHE A 86 7.544 18.317 -2.814 1.00 0.00 C ATOM 1294 CZ PHE A 86 6.903 19.008 -3.824 1.00 0.00 C ATOM 0 H PHE A 86 5.800 12.415 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 86 6.770 14.118 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.997 14.675 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.167 14.637 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.988 16.518 -5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.771 16.446 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.480 18.896 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.264 18.822 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.121 20.053 -3.988 1.00 0.00 H new