USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 79 GLN : amide:sc= 0.472 K(o=-0.35,f=-6!) USER MOD Set 1.2: A 83 THR OG1 : rot -160:sc= -0.817! USER MOD Set 2.1: A 12 THR OG1 : rot 68:sc= 0.041 USER MOD Set 2.2: A 13 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -33:sc= -3.93! USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.26) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.67) USER MOD Single : A 44 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.059) USER MOD Single : A 45 SER OG : rot 180:sc= -0.82! USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.0469 (180deg=-1.01) USER MOD Single : A 49 MET CE :methyl -164:sc= -4.55! (180deg=-5.49!) USER MOD Single : A 54 GLN : amide:sc= -3.25! C(o=-3.2!,f=-2.4!) USER MOD Single : A 56 HIS : no HE2:sc= 0.731 K(o=0.73,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : A 73 THR OG1 : rot 40:sc= -7.21! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 9.762 -1.497 20.950 1.00 0.00 N ATOM 2 CA TYR A 8 9.567 -1.746 19.494 1.00 0.00 C ATOM 3 C TYR A 8 9.680 -3.244 19.214 1.00 0.00 C ATOM 4 O TYR A 8 10.761 -3.776 19.050 1.00 0.00 O ATOM 5 CB TYR A 8 10.638 -0.995 18.699 1.00 0.00 C ATOM 6 CG TYR A 8 10.641 -1.482 17.269 1.00 0.00 C ATOM 7 CD1 TYR A 8 9.506 -1.302 16.467 1.00 0.00 C ATOM 8 CD2 TYR A 8 11.775 -2.113 16.745 1.00 0.00 C ATOM 9 CE1 TYR A 8 9.507 -1.756 15.142 1.00 0.00 C ATOM 10 CE2 TYR A 8 11.774 -2.566 15.420 1.00 0.00 C ATOM 11 CZ TYR A 8 10.642 -2.387 14.618 1.00 0.00 C ATOM 12 OH TYR A 8 10.642 -2.835 13.314 1.00 0.00 O ATOM 0 HA TYR A 8 8.580 -1.394 19.194 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.443 0.077 18.728 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.618 -1.153 19.150 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.631 -0.814 16.870 1.00 0.00 H new ATOM 0 HD2 TYR A 8 12.650 -2.250 17.362 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.632 -1.619 14.524 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.649 -3.054 15.017 1.00 0.00 H new ATOM 0 HH TYR A 8 11.507 -3.248 13.110 1.00 0.00 H new ATOM 22 N VAL A 9 8.574 -3.930 19.151 1.00 0.00 N ATOM 23 CA VAL A 9 8.625 -5.393 18.875 1.00 0.00 C ATOM 24 C VAL A 9 8.204 -5.652 17.425 1.00 0.00 C ATOM 25 O VAL A 9 7.163 -5.211 16.981 1.00 0.00 O ATOM 26 CB VAL A 9 7.677 -6.128 19.825 1.00 0.00 C ATOM 27 CG1 VAL A 9 8.278 -6.147 21.232 1.00 0.00 C ATOM 28 CG2 VAL A 9 6.327 -5.406 19.858 1.00 0.00 C ATOM 0 H VAL A 9 7.639 -3.543 19.278 1.00 0.00 H new ATOM 0 HA VAL A 9 9.641 -5.757 19.029 1.00 0.00 H new ATOM 0 HB VAL A 9 7.535 -7.151 19.476 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.603 -6.670 21.909 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.240 -6.660 21.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.420 -5.124 21.581 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.651 -5.929 20.535 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.470 -4.383 20.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.898 -5.391 18.856 1.00 0.00 H new ATOM 38 N ALA A 10 9.012 -6.359 16.682 1.00 0.00 N ATOM 39 CA ALA A 10 8.668 -6.642 15.259 1.00 0.00 C ATOM 40 C ALA A 10 7.240 -7.198 15.169 1.00 0.00 C ATOM 41 O ALA A 10 6.637 -7.517 16.174 1.00 0.00 O ATOM 42 CB ALA A 10 9.654 -7.666 14.695 1.00 0.00 C ATOM 0 H ALA A 10 9.897 -6.754 17.000 1.00 0.00 H new ATOM 0 HA ALA A 10 8.728 -5.719 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.406 -7.876 13.655 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.666 -7.266 14.753 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.594 -8.587 15.275 1.00 0.00 H new ATOM 48 N PRO A 11 6.746 -7.294 13.957 1.00 0.00 N ATOM 49 CA PRO A 11 5.390 -7.807 13.684 1.00 0.00 C ATOM 50 C PRO A 11 5.359 -9.335 13.798 1.00 0.00 C ATOM 51 O PRO A 11 6.375 -9.994 13.708 1.00 0.00 O ATOM 52 CB PRO A 11 5.117 -7.356 12.246 1.00 0.00 C ATOM 53 CG PRO A 11 6.498 -7.116 11.594 1.00 0.00 C ATOM 54 CD PRO A 11 7.499 -6.906 12.747 1.00 0.00 C ATOM 0 HA PRO A 11 4.643 -7.439 14.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.557 -8.115 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.517 -6.446 12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.789 -7.967 10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.472 -6.244 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.390 -7.521 12.618 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.832 -5.870 12.801 1.00 0.00 H new ATOM 62 N THR A 12 4.199 -9.902 14.001 1.00 0.00 N ATOM 63 CA THR A 12 4.108 -11.383 14.127 1.00 0.00 C ATOM 64 C THR A 12 3.186 -11.947 13.041 1.00 0.00 C ATOM 65 O THR A 12 2.985 -13.141 12.948 1.00 0.00 O ATOM 66 CB THR A 12 3.543 -11.744 15.503 1.00 0.00 C ATOM 67 OG1 THR A 12 2.959 -10.590 16.089 1.00 0.00 O ATOM 68 CG2 THR A 12 4.666 -12.261 16.401 1.00 0.00 C ATOM 0 H THR A 12 3.313 -9.403 14.085 1.00 0.00 H new ATOM 0 HA THR A 12 5.104 -11.811 14.011 1.00 0.00 H new ATOM 0 HB THR A 12 2.786 -12.520 15.392 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.162 -10.332 15.580 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.260 -12.517 17.380 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.113 -13.147 15.950 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.426 -11.488 16.514 1.00 0.00 H new ATOM 76 N ASN A 13 2.624 -11.103 12.214 1.00 0.00 N ATOM 77 CA ASN A 13 1.722 -11.604 11.141 1.00 0.00 C ATOM 78 C ASN A 13 1.688 -10.568 10.021 1.00 0.00 C ATOM 79 O ASN A 13 1.901 -9.393 10.250 1.00 0.00 O ATOM 80 CB ASN A 13 0.312 -11.814 11.701 1.00 0.00 C ATOM 81 CG ASN A 13 0.063 -10.838 12.852 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.774 -10.849 13.838 1.00 0.00 O ATOM 83 ND2 ASN A 13 -0.924 -9.990 12.773 1.00 0.00 N ATOM 0 H ASN A 13 2.752 -10.091 12.237 1.00 0.00 H new ATOM 0 HA ASN A 13 2.088 -12.557 10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.428 -11.661 10.915 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.198 -12.840 12.051 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.098 -9.338 13.537 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.522 -9.979 11.947 1.00 0.00 H new ATOM 90 N ALA A 14 1.440 -10.982 8.812 1.00 0.00 N ATOM 91 CA ALA A 14 1.420 -9.995 7.702 1.00 0.00 C ATOM 92 C ALA A 14 0.309 -8.976 7.935 1.00 0.00 C ATOM 93 O ALA A 14 0.438 -7.823 7.576 1.00 0.00 O ATOM 94 CB ALA A 14 1.205 -10.697 6.369 1.00 0.00 C ATOM 0 H ALA A 14 1.253 -11.949 8.547 1.00 0.00 H new ATOM 0 HA ALA A 14 2.381 -9.481 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.193 -9.959 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.014 -11.407 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.254 -11.229 6.387 1.00 0.00 H new ATOM 100 N VAL A 15 -0.776 -9.365 8.550 1.00 0.00 N ATOM 101 CA VAL A 15 -1.845 -8.362 8.802 1.00 0.00 C ATOM 102 C VAL A 15 -1.171 -7.147 9.423 1.00 0.00 C ATOM 103 O VAL A 15 -1.389 -6.016 9.027 1.00 0.00 O ATOM 104 CB VAL A 15 -2.896 -8.919 9.748 1.00 0.00 C ATOM 105 CG1 VAL A 15 -4.185 -8.119 9.559 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.144 -10.390 9.409 1.00 0.00 C ATOM 0 H VAL A 15 -0.964 -10.311 8.881 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.352 -8.100 7.873 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.561 -8.842 10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.953 -8.503 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.998 -7.069 9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.524 -8.213 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.897 -10.797 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.496 -10.472 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.216 -10.951 9.521 1.00 0.00 H new ATOM 116 N GLU A 16 -0.298 -7.394 10.359 1.00 0.00 N ATOM 117 CA GLU A 16 0.460 -6.286 10.979 1.00 0.00 C ATOM 118 C GLU A 16 1.476 -5.805 9.950 1.00 0.00 C ATOM 119 O GLU A 16 1.765 -4.633 9.847 1.00 0.00 O ATOM 120 CB GLU A 16 1.184 -6.786 12.232 1.00 0.00 C ATOM 121 CG GLU A 16 0.349 -6.450 13.467 1.00 0.00 C ATOM 122 CD GLU A 16 0.376 -7.626 14.444 1.00 0.00 C ATOM 123 OE1 GLU A 16 1.355 -8.354 14.436 1.00 0.00 O ATOM 124 OE2 GLU A 16 -0.581 -7.779 15.184 1.00 0.00 O ATOM 0 H GLU A 16 -0.080 -8.323 10.719 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.208 -5.476 11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.343 -7.862 12.169 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.168 -6.322 12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.741 -5.555 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.678 -6.231 13.175 1.00 0.00 H new ATOM 131 N SER A 17 2.015 -6.711 9.172 1.00 0.00 N ATOM 132 CA SER A 17 3.003 -6.292 8.137 1.00 0.00 C ATOM 133 C SER A 17 2.374 -5.222 7.235 1.00 0.00 C ATOM 134 O SER A 17 2.960 -4.183 6.985 1.00 0.00 O ATOM 135 CB SER A 17 3.438 -7.482 7.282 1.00 0.00 C ATOM 136 OG SER A 17 2.395 -7.837 6.388 1.00 0.00 O ATOM 0 H SER A 17 1.815 -7.711 9.209 1.00 0.00 H new ATOM 0 HA SER A 17 3.881 -5.889 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.339 -7.230 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.686 -8.329 7.921 1.00 0.00 H new ATOM 0 HG SER A 17 1.528 -7.658 6.809 1.00 0.00 H new ATOM 142 N LYS A 18 1.180 -5.458 6.745 1.00 0.00 N ATOM 143 CA LYS A 18 0.536 -4.439 5.864 1.00 0.00 C ATOM 144 C LYS A 18 0.181 -3.206 6.690 1.00 0.00 C ATOM 145 O LYS A 18 0.592 -2.105 6.383 1.00 0.00 O ATOM 146 CB LYS A 18 -0.740 -5.006 5.236 1.00 0.00 C ATOM 147 CG LYS A 18 -1.393 -3.935 4.353 1.00 0.00 C ATOM 148 CD LYS A 18 -0.326 -3.286 3.464 1.00 0.00 C ATOM 149 CE LYS A 18 -0.910 -3.007 2.078 1.00 0.00 C ATOM 150 NZ LYS A 18 -1.022 -4.288 1.326 1.00 0.00 N ATOM 0 H LYS A 18 0.632 -6.301 6.915 1.00 0.00 H new ATOM 0 HA LYS A 18 1.234 -4.170 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.505 -5.889 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.433 -5.322 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.172 -4.382 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.873 -3.179 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.022 -2.357 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.539 -3.943 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.890 -2.539 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.273 -2.308 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.556 -4.129 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.071 -4.639 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.518 -4.991 1.910 1.00 0.00 H new ATOM 164 N LEU A 19 -0.576 -3.380 7.739 1.00 0.00 N ATOM 165 CA LEU A 19 -0.948 -2.209 8.578 1.00 0.00 C ATOM 166 C LEU A 19 0.324 -1.487 9.019 1.00 0.00 C ATOM 167 O LEU A 19 0.344 -0.281 9.176 1.00 0.00 O ATOM 168 CB LEU A 19 -1.741 -2.692 9.789 1.00 0.00 C ATOM 169 CG LEU A 19 -3.186 -2.946 9.357 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.443 -4.452 9.267 1.00 0.00 C ATOM 171 CD2 LEU A 19 -4.136 -2.335 10.381 1.00 0.00 C ATOM 0 H LEU A 19 -0.950 -4.277 8.049 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.567 -1.516 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.300 -3.605 10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.709 -1.947 10.584 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.354 -2.491 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.474 -4.627 8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.766 -4.894 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.273 -4.909 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.166 -2.515 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.962 -2.791 11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.959 -1.261 10.446 1.00 0.00 H new ATOM 183 N ALA A 20 1.398 -2.208 9.189 1.00 0.00 N ATOM 184 CA ALA A 20 2.674 -1.553 9.584 1.00 0.00 C ATOM 185 C ALA A 20 3.106 -0.638 8.437 1.00 0.00 C ATOM 186 O ALA A 20 3.397 0.527 8.632 1.00 0.00 O ATOM 187 CB ALA A 20 3.750 -2.615 9.827 1.00 0.00 C ATOM 0 H ALA A 20 1.446 -3.220 9.071 1.00 0.00 H new ATOM 0 HA ALA A 20 2.538 -0.980 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.682 -2.129 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.427 -3.284 10.625 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.908 -3.189 8.914 1.00 0.00 H new ATOM 193 N GLU A 21 3.131 -1.154 7.232 1.00 0.00 N ATOM 194 CA GLU A 21 3.522 -0.303 6.073 1.00 0.00 C ATOM 195 C GLU A 21 2.543 0.873 5.976 1.00 0.00 C ATOM 196 O GLU A 21 2.939 2.022 5.985 1.00 0.00 O ATOM 197 CB GLU A 21 3.489 -1.132 4.784 1.00 0.00 C ATOM 198 CG GLU A 21 4.452 -0.521 3.764 1.00 0.00 C ATOM 199 CD GLU A 21 4.373 -1.302 2.450 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.810 -2.385 2.459 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.879 -0.805 1.457 1.00 0.00 O ATOM 0 H GLU A 21 2.899 -2.121 7.005 1.00 0.00 H new ATOM 0 HA GLU A 21 4.535 0.076 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.771 -2.164 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.478 -1.154 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.200 0.525 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.471 -0.544 4.152 1.00 0.00 H new ATOM 208 N ILE A 22 1.264 0.600 5.911 1.00 0.00 N ATOM 209 CA ILE A 22 0.274 1.721 5.845 1.00 0.00 C ATOM 210 C ILE A 22 0.582 2.683 6.986 1.00 0.00 C ATOM 211 O ILE A 22 0.777 3.866 6.788 1.00 0.00 O ATOM 212 CB ILE A 22 -1.181 1.194 5.930 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.015 1.995 6.942 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.203 -0.270 6.307 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.213 3.420 6.417 1.00 0.00 C ATOM 0 H ILE A 22 0.865 -0.339 5.901 1.00 0.00 H new ATOM 0 HA ILE A 22 0.359 2.237 4.889 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.623 1.318 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.981 1.514 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.512 2.018 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.235 -0.617 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.665 -0.847 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.725 -0.403 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.804 3.992 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.242 3.897 6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.734 3.386 5.460 1.00 0.00 H new ATOM 227 N TRP A 23 0.632 2.173 8.175 1.00 0.00 N ATOM 228 CA TRP A 23 0.930 3.028 9.348 1.00 0.00 C ATOM 229 C TRP A 23 2.037 4.024 9.011 1.00 0.00 C ATOM 230 O TRP A 23 1.856 5.221 9.086 1.00 0.00 O ATOM 231 CB TRP A 23 1.398 2.140 10.490 1.00 0.00 C ATOM 232 CG TRP A 23 0.274 1.924 11.437 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.897 1.317 11.142 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.199 2.311 12.827 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.687 1.310 12.273 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.054 1.917 13.341 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.097 2.963 13.679 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.406 2.169 14.665 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.750 3.220 15.009 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.501 2.824 15.503 1.00 0.00 C ATOM 0 H TRP A 23 0.477 1.188 8.389 1.00 0.00 H new ATOM 0 HA TRP A 23 0.032 3.577 9.630 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.750 1.184 10.102 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.239 2.604 11.006 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.169 0.906 10.181 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.623 0.907 12.316 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.064 3.270 13.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.371 1.860 15.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.449 3.726 15.659 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.765 3.025 16.531 1.00 0.00 H new ATOM 251 N GLU A 24 3.190 3.538 8.653 1.00 0.00 N ATOM 252 CA GLU A 24 4.313 4.463 8.329 1.00 0.00 C ATOM 253 C GLU A 24 3.956 5.291 7.090 1.00 0.00 C ATOM 254 O GLU A 24 4.384 6.417 6.934 1.00 0.00 O ATOM 255 CB GLU A 24 5.596 3.647 8.086 1.00 0.00 C ATOM 256 CG GLU A 24 5.789 3.351 6.593 1.00 0.00 C ATOM 257 CD GLU A 24 7.122 2.632 6.385 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.813 2.407 7.368 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.432 2.318 5.248 1.00 0.00 O ATOM 0 H GLU A 24 3.405 2.544 8.570 1.00 0.00 H new ATOM 0 HA GLU A 24 4.484 5.143 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.457 4.197 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.546 2.711 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.969 2.734 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.771 4.279 6.022 1.00 0.00 H new ATOM 266 N ARG A 25 3.182 4.729 6.207 1.00 0.00 N ATOM 267 CA ARG A 25 2.799 5.461 4.968 1.00 0.00 C ATOM 268 C ARG A 25 1.843 6.607 5.310 1.00 0.00 C ATOM 269 O ARG A 25 2.160 7.767 5.137 1.00 0.00 O ATOM 270 CB ARG A 25 2.106 4.484 4.007 1.00 0.00 C ATOM 271 CG ARG A 25 1.293 5.257 2.961 1.00 0.00 C ATOM 272 CD ARG A 25 2.218 6.194 2.186 1.00 0.00 C ATOM 273 NE ARG A 25 3.199 5.392 1.400 1.00 0.00 N ATOM 274 CZ ARG A 25 2.937 5.059 0.166 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.113 4.078 -0.082 1.00 0.00 N ATOM 276 NH2 ARG A 25 3.504 5.703 -0.819 1.00 0.00 N ATOM 0 H ARG A 25 2.795 3.789 6.290 1.00 0.00 H new ATOM 0 HA ARG A 25 3.692 5.875 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.850 3.860 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.451 3.816 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.806 4.562 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.504 5.829 3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.634 6.828 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.743 6.855 2.875 1.00 0.00 H new ATOM 0 HE ARG A 25 4.078 5.103 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.675 3.573 0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.907 3.816 -1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.152 6.466 -0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.299 5.442 -1.784 1.00 0.00 H new ATOM 290 N VAL A 26 0.667 6.287 5.766 1.00 0.00 N ATOM 291 CA VAL A 26 -0.324 7.349 6.087 1.00 0.00 C ATOM 292 C VAL A 26 0.120 8.168 7.300 1.00 0.00 C ATOM 293 O VAL A 26 -0.143 9.351 7.385 1.00 0.00 O ATOM 294 CB VAL A 26 -1.674 6.704 6.382 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.624 7.762 6.944 1.00 0.00 C ATOM 296 CG2 VAL A 26 -2.250 6.132 5.085 1.00 0.00 C ATOM 0 H VAL A 26 0.348 5.332 5.931 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.403 8.018 5.230 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.552 5.902 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.591 7.306 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.207 8.174 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.752 8.561 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.216 5.669 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.378 6.935 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.567 5.384 4.682 1.00 0.00 H new ATOM 306 N LEU A 27 0.766 7.558 8.250 1.00 0.00 N ATOM 307 CA LEU A 27 1.189 8.321 9.457 1.00 0.00 C ATOM 308 C LEU A 27 2.519 9.033 9.192 1.00 0.00 C ATOM 309 O LEU A 27 2.960 9.853 9.973 1.00 0.00 O ATOM 310 CB LEU A 27 1.315 7.355 10.631 1.00 0.00 C ATOM 311 CG LEU A 27 0.060 6.481 10.676 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.113 5.553 11.887 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.182 7.372 10.770 1.00 0.00 C ATOM 0 H LEU A 27 1.019 6.570 8.245 1.00 0.00 H new ATOM 0 HA LEU A 27 0.445 9.081 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.205 6.735 10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.427 7.906 11.565 1.00 0.00 H new ATOM 0 HG LEU A 27 0.012 5.881 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.784 4.935 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.993 4.913 11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.168 6.148 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.075 6.749 10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.129 7.976 11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.227 8.026 9.899 1.00 0.00 H new ATOM 325 N GLY A 28 3.148 8.746 8.087 1.00 0.00 N ATOM 326 CA GLY A 28 4.433 9.428 7.759 1.00 0.00 C ATOM 327 C GLY A 28 5.525 9.039 8.759 1.00 0.00 C ATOM 328 O GLY A 28 6.192 9.886 9.319 1.00 0.00 O ATOM 0 H GLY A 28 2.828 8.068 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.745 9.159 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.290 10.509 7.772 1.00 0.00 H new ATOM 332 N VAL A 29 5.731 7.769 8.976 1.00 0.00 N ATOM 333 CA VAL A 29 6.801 7.342 9.925 1.00 0.00 C ATOM 334 C VAL A 29 7.775 6.429 9.194 1.00 0.00 C ATOM 335 O VAL A 29 7.766 6.340 7.983 1.00 0.00 O ATOM 336 CB VAL A 29 6.207 6.572 11.103 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.959 6.946 12.380 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.731 6.915 11.258 1.00 0.00 C ATOM 0 H VAL A 29 5.208 7.010 8.540 1.00 0.00 H new ATOM 0 HA VAL A 29 7.308 8.231 10.300 1.00 0.00 H new ATOM 0 HB VAL A 29 6.304 5.502 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.538 6.399 13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.013 6.689 12.270 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.863 8.017 12.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.315 6.362 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.623 7.985 11.438 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.197 6.644 10.347 1.00 0.00 H new ATOM 348 N SER A 30 8.614 5.740 9.914 1.00 0.00 N ATOM 349 CA SER A 30 9.570 4.834 9.238 1.00 0.00 C ATOM 350 C SER A 30 9.776 3.574 10.080 1.00 0.00 C ATOM 351 O SER A 30 10.862 3.308 10.558 1.00 0.00 O ATOM 352 CB SER A 30 10.904 5.551 9.053 1.00 0.00 C ATOM 353 OG SER A 30 11.146 6.392 10.174 1.00 0.00 O ATOM 0 H SER A 30 8.676 5.767 10.932 1.00 0.00 H new ATOM 0 HA SER A 30 9.171 4.550 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.709 4.824 8.949 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.888 6.142 8.137 1.00 0.00 H new ATOM 0 HG SER A 30 12.003 6.853 10.058 1.00 0.00 H new ATOM 359 N GLY A 31 8.748 2.788 10.258 1.00 0.00 N ATOM 360 CA GLY A 31 8.901 1.541 11.061 1.00 0.00 C ATOM 361 C GLY A 31 7.706 1.366 12.003 1.00 0.00 C ATOM 362 O GLY A 31 6.863 0.515 11.799 1.00 0.00 O ATOM 0 H GLY A 31 7.814 2.954 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.979 0.680 10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.825 1.583 11.638 1.00 0.00 H new ATOM 366 N ILE A 32 7.633 2.157 13.040 1.00 0.00 N ATOM 367 CA ILE A 32 6.501 2.028 14.005 1.00 0.00 C ATOM 368 C ILE A 32 6.504 0.615 14.605 1.00 0.00 C ATOM 369 O ILE A 32 6.891 -0.342 13.963 1.00 0.00 O ATOM 370 CB ILE A 32 5.177 2.285 13.283 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.294 3.554 12.444 1.00 0.00 C ATOM 372 CG2 ILE A 32 4.058 2.462 14.310 1.00 0.00 C ATOM 373 CD1 ILE A 32 5.074 3.204 10.975 1.00 0.00 C ATOM 0 H ILE A 32 8.309 2.888 13.261 1.00 0.00 H new ATOM 0 HA ILE A 32 6.617 2.760 14.804 1.00 0.00 H new ATOM 0 HB ILE A 32 4.948 1.437 12.637 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.558 4.289 12.770 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.277 4.005 12.580 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.116 2.645 13.794 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.972 1.558 14.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.288 3.309 14.956 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.156 4.107 10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.827 2.483 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.081 2.772 10.849 1.00 0.00 H new ATOM 385 N GLY A 33 6.084 0.479 15.835 1.00 0.00 N ATOM 386 CA GLY A 33 6.071 -0.868 16.481 1.00 0.00 C ATOM 387 C GLY A 33 4.860 -1.667 15.989 1.00 0.00 C ATOM 388 O GLY A 33 4.368 -1.452 14.902 1.00 0.00 O ATOM 0 H GLY A 33 5.749 1.243 16.422 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.991 -1.403 16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.032 -0.761 17.565 1.00 0.00 H new ATOM 392 N ILE A 34 4.377 -2.594 16.777 1.00 0.00 N ATOM 393 CA ILE A 34 3.196 -3.402 16.346 1.00 0.00 C ATOM 394 C ILE A 34 2.001 -3.083 17.243 1.00 0.00 C ATOM 395 O ILE A 34 1.014 -3.789 17.254 1.00 0.00 O ATOM 396 CB ILE A 34 3.532 -4.889 16.448 1.00 0.00 C ATOM 397 CG1 ILE A 34 4.750 -5.194 15.574 1.00 0.00 C ATOM 398 CG2 ILE A 34 2.340 -5.717 15.965 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.371 -5.043 14.101 1.00 0.00 C ATOM 0 H ILE A 34 4.748 -2.826 17.698 1.00 0.00 H new ATOM 0 HA ILE A 34 2.946 -3.157 15.314 1.00 0.00 H new ATOM 0 HB ILE A 34 3.753 -5.142 17.485 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.567 -4.517 15.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.105 -6.206 15.767 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.580 -6.778 16.038 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.470 -5.499 16.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.119 -5.466 14.928 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.239 -5.260 13.478 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.567 -5.738 13.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.036 -4.023 13.914 1.00 0.00 H new ATOM 411 N LEU A 35 2.070 -2.009 17.973 1.00 0.00 N ATOM 412 CA LEU A 35 0.933 -1.620 18.846 1.00 0.00 C ATOM 413 C LEU A 35 1.168 -0.194 19.327 1.00 0.00 C ATOM 414 O LEU A 35 1.389 0.059 20.494 1.00 0.00 O ATOM 415 CB LEU A 35 0.825 -2.566 20.042 1.00 0.00 C ATOM 416 CG LEU A 35 -0.492 -2.304 20.771 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.069 -3.625 21.281 1.00 0.00 C ATOM 418 CD2 LEU A 35 -0.240 -1.366 21.952 1.00 0.00 C ATOM 0 H LEU A 35 2.872 -1.379 18.002 1.00 0.00 H new ATOM 0 HA LEU A 35 0.000 -1.681 18.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.869 -3.602 19.707 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.666 -2.414 20.719 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.202 -1.843 20.084 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.008 -3.435 21.801 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.249 -4.293 20.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.362 -4.090 21.968 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.178 -1.178 22.474 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.470 -1.827 22.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.168 -0.423 21.587 1.00 0.00 H new ATOM 430 N ASP A 36 1.126 0.739 18.419 1.00 0.00 N ATOM 431 CA ASP A 36 1.351 2.161 18.784 1.00 0.00 C ATOM 432 C ASP A 36 0.019 2.898 18.866 1.00 0.00 C ATOM 433 O ASP A 36 -1.007 2.408 18.437 1.00 0.00 O ATOM 434 CB ASP A 36 2.183 2.827 17.689 1.00 0.00 C ATOM 435 CG ASP A 36 3.618 3.033 18.180 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.862 4.037 18.828 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.447 2.183 17.901 1.00 0.00 O ATOM 0 H ASP A 36 0.943 0.574 17.429 1.00 0.00 H new ATOM 0 HA ASP A 36 1.860 2.201 19.747 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.181 2.208 16.792 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.741 3.785 17.416 1.00 0.00 H new ATOM 442 N ASN A 37 0.040 4.095 19.374 1.00 0.00 N ATOM 443 CA ASN A 37 -1.205 4.900 19.433 1.00 0.00 C ATOM 444 C ASN A 37 -1.203 5.807 18.203 1.00 0.00 C ATOM 445 O ASN A 37 -0.452 6.751 18.134 1.00 0.00 O ATOM 446 CB ASN A 37 -1.220 5.746 20.707 1.00 0.00 C ATOM 447 CG ASN A 37 -2.216 5.148 21.703 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.327 5.622 21.827 1.00 0.00 O ATOM 449 ND2 ASN A 37 -1.862 4.118 22.421 1.00 0.00 N ATOM 0 H ASN A 37 0.870 4.552 19.752 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.086 4.259 19.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.223 5.778 21.147 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.497 6.773 20.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.519 3.711 23.087 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.929 3.720 22.317 1.00 0.00 H new ATOM 456 N PHE A 38 -1.996 5.483 17.213 1.00 0.00 N ATOM 457 CA PHE A 38 -2.017 6.296 15.930 1.00 0.00 C ATOM 458 C PHE A 38 -1.598 7.759 16.159 1.00 0.00 C ATOM 459 O PHE A 38 -0.921 8.338 15.333 1.00 0.00 O ATOM 460 CB PHE A 38 -3.431 6.276 15.302 1.00 0.00 C ATOM 461 CG PHE A 38 -3.720 4.926 14.681 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.168 4.556 13.447 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.522 4.030 15.371 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.422 3.281 12.925 1.00 0.00 C ATOM 465 CE2 PHE A 38 -4.782 2.763 14.850 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.230 2.381 13.635 1.00 0.00 C ATOM 0 H PHE A 38 -2.637 4.690 17.226 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.296 5.834 15.255 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.177 6.498 16.065 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.509 7.055 14.544 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.549 5.252 12.900 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.949 4.316 16.321 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.996 2.991 11.976 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.415 2.077 15.393 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.422 1.395 13.238 1.00 0.00 H new ATOM 476 N PHE A 39 -1.981 8.374 17.245 1.00 0.00 N ATOM 477 CA PHE A 39 -1.575 9.797 17.455 1.00 0.00 C ATOM 478 C PHE A 39 -0.216 9.859 18.159 1.00 0.00 C ATOM 479 O PHE A 39 0.083 10.798 18.870 1.00 0.00 O ATOM 480 CB PHE A 39 -2.616 10.529 18.304 1.00 0.00 C ATOM 481 CG PHE A 39 -2.168 11.959 18.495 1.00 0.00 C ATOM 482 CD1 PHE A 39 -2.008 12.795 17.382 1.00 0.00 C ATOM 483 CD2 PHE A 39 -1.898 12.445 19.781 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.577 14.117 17.556 1.00 0.00 C ATOM 485 CE2 PHE A 39 -1.470 13.767 19.952 1.00 0.00 C ATOM 486 CZ PHE A 39 -1.309 14.602 18.839 1.00 0.00 C ATOM 0 H PHE A 39 -2.548 7.963 17.986 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.503 10.280 16.480 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.590 10.500 17.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.730 10.037 19.270 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.217 12.421 16.391 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.020 11.801 20.639 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.452 14.761 16.698 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.264 14.143 20.943 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.978 15.621 18.972 1.00 0.00 H new ATOM 496 N GLN A 40 0.609 8.872 17.966 1.00 0.00 N ATOM 497 CA GLN A 40 1.947 8.880 18.620 1.00 0.00 C ATOM 498 C GLN A 40 2.906 9.700 17.754 1.00 0.00 C ATOM 499 O GLN A 40 3.697 9.160 17.005 1.00 0.00 O ATOM 500 CB GLN A 40 2.463 7.428 18.738 1.00 0.00 C ATOM 501 CG GLN A 40 1.839 6.761 19.970 1.00 0.00 C ATOM 502 CD GLN A 40 2.067 7.637 21.200 1.00 0.00 C ATOM 503 OE1 GLN A 40 1.152 8.271 21.689 1.00 0.00 O ATOM 504 NE2 GLN A 40 3.258 7.701 21.728 1.00 0.00 N ATOM 0 H GLN A 40 0.416 8.058 17.383 1.00 0.00 H new ATOM 0 HA GLN A 40 1.880 9.319 19.616 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.208 6.866 17.839 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.550 7.423 18.820 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.771 6.610 19.812 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.281 5.777 20.126 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.026 7.170 21.319 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.421 8.282 22.550 1.00 0.00 H new ATOM 513 N ILE A 41 2.830 11.001 17.836 1.00 0.00 N ATOM 514 CA ILE A 41 3.724 11.854 17.004 1.00 0.00 C ATOM 515 C ILE A 41 3.262 11.765 15.547 1.00 0.00 C ATOM 516 O ILE A 41 4.026 11.435 14.662 1.00 0.00 O ATOM 517 CB ILE A 41 5.171 11.358 17.112 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.481 10.968 18.562 1.00 0.00 C ATOM 519 CG2 ILE A 41 6.126 12.470 16.675 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.084 9.562 18.594 1.00 0.00 C ATOM 0 H ILE A 41 2.187 11.509 18.443 1.00 0.00 H new ATOM 0 HA ILE A 41 3.679 12.886 17.353 1.00 0.00 H new ATOM 0 HB ILE A 41 5.299 10.488 16.468 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.176 11.683 19.002 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.571 10.999 19.161 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.155 12.117 16.752 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.914 12.747 15.642 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.991 13.339 17.319 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.305 9.284 19.625 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.374 8.852 18.171 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.004 9.547 18.009 1.00 0.00 H new ATOM 532 N GLY A 42 2.011 12.046 15.294 1.00 0.00 N ATOM 533 CA GLY A 42 1.495 11.964 13.898 1.00 0.00 C ATOM 534 C GLY A 42 0.221 11.122 13.879 1.00 0.00 C ATOM 535 O GLY A 42 -0.119 10.475 14.849 1.00 0.00 O ATOM 0 H GLY A 42 1.325 12.329 15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.290 12.964 13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.247 11.521 13.246 1.00 0.00 H new ATOM 539 N GLY A 43 -0.489 11.129 12.786 1.00 0.00 N ATOM 540 CA GLY A 43 -1.743 10.330 12.707 1.00 0.00 C ATOM 541 C GLY A 43 -2.951 11.257 12.843 1.00 0.00 C ATOM 542 O GLY A 43 -3.875 11.206 12.057 1.00 0.00 O ATOM 0 H GLY A 43 -0.255 11.654 11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.787 9.796 11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.758 9.579 13.496 1.00 0.00 H new ATOM 546 N HIS A 44 -2.953 12.103 13.837 1.00 0.00 N ATOM 547 CA HIS A 44 -4.105 13.030 14.020 1.00 0.00 C ATOM 548 C HIS A 44 -5.400 12.219 14.109 1.00 0.00 C ATOM 549 O HIS A 44 -5.851 11.865 15.181 1.00 0.00 O ATOM 550 CB HIS A 44 -4.178 13.989 12.829 1.00 0.00 C ATOM 551 CG HIS A 44 -3.148 15.073 12.993 1.00 0.00 C ATOM 552 ND1 HIS A 44 -2.524 15.671 11.908 1.00 0.00 N ATOM 553 CD2 HIS A 44 -2.620 15.679 14.107 1.00 0.00 C ATOM 554 CE1 HIS A 44 -1.666 16.590 12.389 1.00 0.00 C ATOM 555 NE2 HIS A 44 -1.684 16.636 13.723 1.00 0.00 N ATOM 0 H HIS A 44 -2.209 12.192 14.529 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.974 13.603 14.938 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.005 13.446 11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.174 14.426 12.761 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.890 15.448 15.127 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.039 17.215 11.770 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.131 17.241 14.330 1.00 0.00 H new ATOM 563 N SER A 45 -6.002 11.916 12.992 1.00 0.00 N ATOM 564 CA SER A 45 -7.264 11.123 13.014 1.00 0.00 C ATOM 565 C SER A 45 -7.575 10.625 11.599 1.00 0.00 C ATOM 566 O SER A 45 -7.635 9.436 11.347 1.00 0.00 O ATOM 567 CB SER A 45 -8.412 12.001 13.515 1.00 0.00 C ATOM 568 OG SER A 45 -9.095 12.566 12.405 1.00 0.00 O ATOM 0 H SER A 45 -5.674 12.184 12.064 1.00 0.00 H new ATOM 0 HA SER A 45 -7.147 10.269 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.101 11.409 14.117 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.026 12.791 14.159 1.00 0.00 H new ATOM 0 HG SER A 45 -9.832 13.127 12.725 1.00 0.00 H new ATOM 574 N LEU A 46 -7.768 11.523 10.669 1.00 0.00 N ATOM 575 CA LEU A 46 -8.067 11.088 9.278 1.00 0.00 C ATOM 576 C LEU A 46 -6.981 10.117 8.821 1.00 0.00 C ATOM 577 O LEU A 46 -7.260 9.084 8.246 1.00 0.00 O ATOM 578 CB LEU A 46 -8.097 12.302 8.346 1.00 0.00 C ATOM 579 CG LEU A 46 -8.894 11.955 7.087 1.00 0.00 C ATOM 580 CD1 LEU A 46 -10.333 11.604 7.471 1.00 0.00 C ATOM 581 CD2 LEU A 46 -8.899 13.157 6.139 1.00 0.00 C ATOM 0 H LEU A 46 -7.731 12.532 10.813 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.040 10.598 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.550 13.153 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.082 12.594 8.078 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.433 11.101 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.899 11.357 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.331 10.748 8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.795 12.457 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.467 12.910 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.359 14.011 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.875 13.407 5.863 1.00 0.00 H new ATOM 593 N LYS A 47 -5.741 10.430 9.086 1.00 0.00 N ATOM 594 CA LYS A 47 -4.647 9.510 8.677 1.00 0.00 C ATOM 595 C LYS A 47 -5.015 8.097 9.117 1.00 0.00 C ATOM 596 O LYS A 47 -5.157 7.198 8.309 1.00 0.00 O ATOM 597 CB LYS A 47 -3.341 9.932 9.350 1.00 0.00 C ATOM 598 CG LYS A 47 -2.965 11.339 8.890 1.00 0.00 C ATOM 599 CD LYS A 47 -1.527 11.337 8.369 1.00 0.00 C ATOM 600 CE LYS A 47 -0.897 12.709 8.607 1.00 0.00 C ATOM 601 NZ LYS A 47 -1.891 13.772 8.291 1.00 0.00 N ATOM 0 H LYS A 47 -5.442 11.279 9.566 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.515 9.544 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.454 9.910 10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.546 9.230 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.646 11.672 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.063 12.042 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.947 10.566 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.515 11.099 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.571 12.797 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.011 12.828 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.393 14.639 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.505 13.453 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.470 13.967 9.132 1.00 0.00 H new ATOM 615 N ALA A 48 -5.191 7.895 10.394 1.00 0.00 N ATOM 616 CA ALA A 48 -5.572 6.542 10.874 1.00 0.00 C ATOM 617 C ALA A 48 -6.705 6.030 9.998 1.00 0.00 C ATOM 618 O ALA A 48 -6.659 4.926 9.492 1.00 0.00 O ATOM 619 CB ALA A 48 -6.048 6.607 12.319 1.00 0.00 C ATOM 0 H ALA A 48 -5.088 8.605 11.119 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.709 5.878 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.324 5.608 12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.247 6.995 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.914 7.265 12.387 1.00 0.00 H new ATOM 625 N MET A 49 -7.721 6.833 9.791 1.00 0.00 N ATOM 626 CA MET A 49 -8.834 6.379 8.916 1.00 0.00 C ATOM 627 C MET A 49 -8.204 5.810 7.652 1.00 0.00 C ATOM 628 O MET A 49 -8.492 4.706 7.240 1.00 0.00 O ATOM 629 CB MET A 49 -9.743 7.561 8.539 1.00 0.00 C ATOM 630 CG MET A 49 -11.134 7.086 8.059 1.00 0.00 C ATOM 631 SD MET A 49 -11.129 5.315 7.616 1.00 0.00 S ATOM 632 CE MET A 49 -11.200 5.503 5.819 1.00 0.00 C ATOM 0 H MET A 49 -7.823 7.768 10.186 1.00 0.00 H new ATOM 0 HA MET A 49 -9.441 5.635 9.433 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.861 8.218 9.401 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.268 8.148 7.753 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.869 7.262 8.844 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.442 7.676 7.196 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.489 4.555 5.365 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.933 6.267 5.562 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.220 5.800 5.445 1.00 0.00 H new ATOM 642 N ALA A 50 -7.313 6.550 7.051 1.00 0.00 N ATOM 643 CA ALA A 50 -6.638 6.034 5.838 1.00 0.00 C ATOM 644 C ALA A 50 -6.141 4.629 6.158 1.00 0.00 C ATOM 645 O ALA A 50 -6.292 3.714 5.376 1.00 0.00 O ATOM 646 CB ALA A 50 -5.460 6.934 5.476 1.00 0.00 C ATOM 0 H ALA A 50 -7.028 7.483 7.349 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.325 6.016 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.968 6.548 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.820 7.945 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.749 6.953 6.302 1.00 0.00 H new ATOM 652 N VAL A 51 -5.568 4.443 7.323 1.00 0.00 N ATOM 653 CA VAL A 51 -5.096 3.082 7.696 1.00 0.00 C ATOM 654 C VAL A 51 -6.294 2.135 7.664 1.00 0.00 C ATOM 655 O VAL A 51 -6.358 1.223 6.861 1.00 0.00 O ATOM 656 CB VAL A 51 -4.509 3.095 9.110 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.775 1.780 9.363 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.525 4.258 9.267 1.00 0.00 C ATOM 0 H VAL A 51 -5.410 5.169 8.022 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.326 2.757 6.997 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.320 3.216 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.355 1.785 10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.473 0.949 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.971 1.666 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.116 4.254 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.714 4.148 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.044 5.200 9.089 1.00 0.00 H new ATOM 668 N ALA A 52 -7.254 2.351 8.524 1.00 0.00 N ATOM 669 CA ALA A 52 -8.454 1.472 8.531 1.00 0.00 C ATOM 670 C ALA A 52 -8.914 1.283 7.085 1.00 0.00 C ATOM 671 O ALA A 52 -9.276 0.198 6.672 1.00 0.00 O ATOM 672 CB ALA A 52 -9.560 2.123 9.362 1.00 0.00 C ATOM 0 H ALA A 52 -7.257 3.097 9.220 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.218 0.504 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.439 1.478 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.210 2.267 10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.820 3.088 8.928 1.00 0.00 H new ATOM 678 N ALA A 53 -8.866 2.327 6.299 1.00 0.00 N ATOM 679 CA ALA A 53 -9.261 2.193 4.871 1.00 0.00 C ATOM 680 C ALA A 53 -8.268 1.235 4.220 1.00 0.00 C ATOM 681 O ALA A 53 -8.637 0.315 3.519 1.00 0.00 O ATOM 682 CB ALA A 53 -9.194 3.559 4.183 1.00 0.00 C ATOM 0 H ALA A 53 -8.572 3.261 6.585 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.280 1.817 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.484 3.454 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.873 4.251 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.176 3.946 4.240 1.00 0.00 H new ATOM 688 N GLN A 54 -7.004 1.425 4.489 1.00 0.00 N ATOM 689 CA GLN A 54 -5.979 0.507 3.936 1.00 0.00 C ATOM 690 C GLN A 54 -6.454 -0.913 4.206 1.00 0.00 C ATOM 691 O GLN A 54 -6.251 -1.816 3.424 1.00 0.00 O ATOM 692 CB GLN A 54 -4.653 0.749 4.660 1.00 0.00 C ATOM 693 CG GLN A 54 -3.522 0.051 3.907 1.00 0.00 C ATOM 694 CD GLN A 54 -2.856 1.041 2.952 1.00 0.00 C ATOM 695 OE1 GLN A 54 -1.694 0.900 2.624 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.548 2.045 2.487 1.00 0.00 N ATOM 0 H GLN A 54 -6.641 2.180 5.070 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.836 0.670 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.453 1.819 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.711 0.372 5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.788 -0.339 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.913 -0.800 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.523 2.163 2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.114 2.711 1.848 1.00 0.00 H new ATOM 705 N VAL A 55 -7.107 -1.099 5.315 1.00 0.00 N ATOM 706 CA VAL A 55 -7.630 -2.445 5.671 1.00 0.00 C ATOM 707 C VAL A 55 -8.806 -2.778 4.748 1.00 0.00 C ATOM 708 O VAL A 55 -9.041 -3.921 4.412 1.00 0.00 O ATOM 709 CB VAL A 55 -8.106 -2.427 7.128 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.164 -3.855 7.668 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.134 -1.606 7.981 1.00 0.00 C ATOM 0 H VAL A 55 -7.303 -0.368 5.999 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.849 -3.196 5.554 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.098 -1.978 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.503 -3.839 8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.859 -4.443 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.172 -4.304 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.477 -1.596 9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.141 -2.052 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.092 -0.584 7.603 1.00 0.00 H new ATOM 721 N HIS A 56 -9.542 -1.781 4.333 1.00 0.00 N ATOM 722 CA HIS A 56 -10.699 -2.024 3.425 1.00 0.00 C ATOM 723 C HIS A 56 -10.190 -2.152 1.988 1.00 0.00 C ATOM 724 O HIS A 56 -10.703 -2.923 1.203 1.00 0.00 O ATOM 725 CB HIS A 56 -11.675 -0.845 3.519 1.00 0.00 C ATOM 726 CG HIS A 56 -13.073 -1.322 3.224 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.633 -2.418 3.863 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.038 -0.858 2.363 1.00 0.00 C ATOM 729 CE1 HIS A 56 -14.880 -2.574 3.384 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.179 -1.650 2.467 1.00 0.00 N ATOM 0 H HIS A 56 -9.390 -0.805 4.586 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.210 -2.942 3.716 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.633 -0.404 4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.389 -0.066 2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -13.181 -3.000 4.568 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.928 -0.008 1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.558 -3.352 3.702 1.00 0.00 H new ATOM 738 N ARG A 57 -9.172 -1.410 1.640 1.00 0.00 N ATOM 739 CA ARG A 57 -8.623 -1.504 0.259 1.00 0.00 C ATOM 740 C ARG A 57 -7.810 -2.795 0.153 1.00 0.00 C ATOM 741 O ARG A 57 -7.793 -3.454 -0.867 1.00 0.00 O ATOM 742 CB ARG A 57 -7.717 -0.302 -0.021 1.00 0.00 C ATOM 743 CG ARG A 57 -8.522 0.991 0.122 1.00 0.00 C ATOM 744 CD ARG A 57 -8.790 1.580 -1.265 1.00 0.00 C ATOM 745 NE ARG A 57 -7.506 1.703 -2.010 1.00 0.00 N ATOM 746 CZ ARG A 57 -7.512 2.040 -3.272 1.00 0.00 C ATOM 747 NH1 ARG A 57 -7.959 1.203 -4.170 1.00 0.00 N ATOM 748 NH2 ARG A 57 -7.072 3.213 -3.637 1.00 0.00 N ATOM 0 H ARG A 57 -8.699 -0.745 2.252 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.435 -1.508 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.876 -0.298 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.300 -0.374 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.464 0.791 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.974 1.708 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.482 0.942 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.263 2.557 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.622 1.524 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.303 0.286 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.964 1.467 -5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.723 3.867 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.077 3.475 -4.623 1.00 0.00 H new ATOM 762 N GLU A 58 -7.147 -3.162 1.216 1.00 0.00 N ATOM 763 CA GLU A 58 -6.340 -4.413 1.209 1.00 0.00 C ATOM 764 C GLU A 58 -7.277 -5.606 1.394 1.00 0.00 C ATOM 765 O GLU A 58 -7.245 -6.558 0.640 1.00 0.00 O ATOM 766 CB GLU A 58 -5.333 -4.374 2.363 1.00 0.00 C ATOM 767 CG GLU A 58 -4.013 -3.756 1.887 1.00 0.00 C ATOM 768 CD GLU A 58 -4.296 -2.532 1.010 1.00 0.00 C ATOM 769 OE1 GLU A 58 -5.103 -1.711 1.412 1.00 0.00 O ATOM 770 OE2 GLU A 58 -3.700 -2.438 -0.051 1.00 0.00 O ATOM 0 H GLU A 58 -7.131 -2.644 2.095 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.805 -4.505 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.739 -3.792 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.158 -5.382 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.407 -3.467 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.439 -4.492 1.325 1.00 0.00 H new ATOM 777 N TYR A 59 -8.114 -5.557 2.395 1.00 0.00 N ATOM 778 CA TYR A 59 -9.058 -6.684 2.633 1.00 0.00 C ATOM 779 C TYR A 59 -10.492 -6.212 2.403 1.00 0.00 C ATOM 780 O TYR A 59 -10.748 -5.068 2.092 1.00 0.00 O ATOM 781 CB TYR A 59 -8.950 -7.160 4.084 1.00 0.00 C ATOM 782 CG TYR A 59 -7.532 -7.033 4.577 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.584 -8.001 4.234 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.174 -5.955 5.392 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.272 -7.889 4.705 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.862 -5.842 5.865 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.910 -6.811 5.521 1.00 0.00 C ATOM 788 OH TYR A 59 -3.617 -6.703 5.988 1.00 0.00 O ATOM 0 H TYR A 59 -8.184 -4.785 3.058 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.806 -7.494 1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.615 -6.572 4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.275 -8.198 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.864 -8.834 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.910 -5.210 5.656 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.538 -8.635 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.584 -5.009 6.494 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.535 -5.897 6.539 1.00 0.00 H new ATOM 798 N GLN A 60 -11.426 -7.093 2.606 1.00 0.00 N ATOM 799 CA GLN A 60 -12.859 -6.733 2.463 1.00 0.00 C ATOM 800 C GLN A 60 -13.458 -6.807 3.861 1.00 0.00 C ATOM 801 O GLN A 60 -14.564 -7.262 4.069 1.00 0.00 O ATOM 802 CB GLN A 60 -13.561 -7.732 1.540 1.00 0.00 C ATOM 803 CG GLN A 60 -13.508 -7.219 0.100 1.00 0.00 C ATOM 804 CD GLN A 60 -14.391 -8.100 -0.786 1.00 0.00 C ATOM 805 OE1 GLN A 60 -14.128 -9.276 -0.947 1.00 0.00 O ATOM 806 NE2 GLN A 60 -15.436 -7.580 -1.368 1.00 0.00 N ATOM 0 H GLN A 60 -11.254 -8.063 2.869 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.978 -5.740 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.079 -8.707 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.597 -7.866 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.849 -6.185 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.481 -7.231 -0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.657 -6.593 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.032 -8.160 -1.958 1.00 0.00 H new ATOM 815 N VAL A 61 -12.692 -6.377 4.824 1.00 0.00 N ATOM 816 CA VAL A 61 -13.137 -6.421 6.239 1.00 0.00 C ATOM 817 C VAL A 61 -13.786 -5.088 6.608 1.00 0.00 C ATOM 818 O VAL A 61 -13.443 -4.052 6.074 1.00 0.00 O ATOM 819 CB VAL A 61 -11.904 -6.662 7.112 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.844 -5.605 6.795 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.286 -6.574 8.589 1.00 0.00 C ATOM 0 H VAL A 61 -11.759 -5.990 4.684 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.866 -7.218 6.390 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.506 -7.655 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.964 -5.774 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.565 -5.674 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.247 -4.613 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.403 -6.747 9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.689 -5.584 8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.039 -7.329 8.816 1.00 0.00 H new ATOM 831 N GLU A 62 -14.736 -5.105 7.503 1.00 0.00 N ATOM 832 CA GLU A 62 -15.418 -3.838 7.883 1.00 0.00 C ATOM 833 C GLU A 62 -14.696 -3.170 9.057 1.00 0.00 C ATOM 834 O GLU A 62 -14.925 -3.495 10.206 1.00 0.00 O ATOM 835 CB GLU A 62 -16.864 -4.140 8.286 1.00 0.00 C ATOM 836 CG GLU A 62 -17.554 -2.842 8.710 1.00 0.00 C ATOM 837 CD GLU A 62 -19.003 -3.136 9.107 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.208 -4.057 9.881 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.881 -2.435 8.632 1.00 0.00 O ATOM 0 H GLU A 62 -15.068 -5.940 7.986 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.402 -3.162 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.399 -4.593 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.882 -4.859 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.021 -2.392 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.529 -2.121 7.892 1.00 0.00 H new ATOM 846 N LEU A 63 -13.843 -2.221 8.777 1.00 0.00 N ATOM 847 CA LEU A 63 -13.126 -1.509 9.873 1.00 0.00 C ATOM 848 C LEU A 63 -13.606 -0.051 9.889 1.00 0.00 C ATOM 849 O LEU A 63 -13.166 0.751 9.090 1.00 0.00 O ATOM 850 CB LEU A 63 -11.612 -1.559 9.624 1.00 0.00 C ATOM 851 CG LEU A 63 -10.967 -2.592 10.556 1.00 0.00 C ATOM 852 CD1 LEU A 63 -9.443 -2.479 10.478 1.00 0.00 C ATOM 853 CD2 LEU A 63 -11.406 -2.333 11.996 1.00 0.00 C ATOM 0 H LEU A 63 -13.612 -1.908 7.834 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.334 -1.984 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.413 -1.819 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.173 -0.576 9.796 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.280 -3.589 10.247 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.989 -3.215 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.116 -2.663 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.136 -1.478 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.945 -3.069 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.095 -1.332 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.491 -2.412 12.065 1.00 0.00 H new ATOM 865 N PRO A 64 -14.524 0.240 10.780 1.00 0.00 N ATOM 866 CA PRO A 64 -15.120 1.586 10.907 1.00 0.00 C ATOM 867 C PRO A 64 -14.187 2.537 11.664 1.00 0.00 C ATOM 868 O PRO A 64 -13.263 2.116 12.330 1.00 0.00 O ATOM 869 CB PRO A 64 -16.397 1.333 11.712 1.00 0.00 C ATOM 870 CG PRO A 64 -16.176 0.007 12.479 1.00 0.00 C ATOM 871 CD PRO A 64 -15.049 -0.745 11.749 1.00 0.00 C ATOM 0 HA PRO A 64 -15.304 2.057 9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.589 2.154 12.403 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.263 1.261 11.054 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.903 0.201 13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.090 -0.587 12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.275 -1.073 12.443 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.425 -1.636 11.247 1.00 0.00 H new ATOM 879 N LEU A 65 -14.434 3.819 11.575 1.00 0.00 N ATOM 880 CA LEU A 65 -13.572 4.793 12.301 1.00 0.00 C ATOM 881 C LEU A 65 -13.716 4.552 13.800 1.00 0.00 C ATOM 882 O LEU A 65 -12.771 4.677 14.552 1.00 0.00 O ATOM 883 CB LEU A 65 -13.996 6.221 11.953 1.00 0.00 C ATOM 884 CG LEU A 65 -13.198 6.689 10.734 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.739 6.931 11.133 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.245 5.606 9.657 1.00 0.00 C ATOM 0 H LEU A 65 -15.193 4.230 11.032 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.531 4.660 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.065 6.256 11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.817 6.885 12.799 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.630 7.614 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.174 7.264 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.696 7.696 11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.307 6.005 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.678 5.934 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.810 4.686 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.280 5.424 9.369 1.00 0.00 H new ATOM 898 N LYS A 66 -14.887 4.179 14.242 1.00 0.00 N ATOM 899 CA LYS A 66 -15.057 3.902 15.697 1.00 0.00 C ATOM 900 C LYS A 66 -14.028 2.846 16.069 1.00 0.00 C ATOM 901 O LYS A 66 -13.148 3.079 16.867 1.00 0.00 O ATOM 902 CB LYS A 66 -16.465 3.369 16.012 1.00 0.00 C ATOM 903 CG LYS A 66 -17.480 3.846 14.969 1.00 0.00 C ATOM 904 CD LYS A 66 -17.429 5.371 14.846 1.00 0.00 C ATOM 905 CE LYS A 66 -18.445 5.826 13.798 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.266 6.940 14.349 1.00 0.00 N ATOM 0 H LYS A 66 -15.721 4.056 13.669 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.923 4.823 16.264 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.448 2.279 16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.771 3.705 17.003 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.264 3.388 14.004 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.483 3.530 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.650 5.833 15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.427 5.691 14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.930 6.153 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.088 4.993 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.957 7.248 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.769 6.613 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.647 7.737 14.598 1.00 0.00 H new ATOM 920 N VAL A 67 -14.108 1.696 15.460 1.00 0.00 N ATOM 921 CA VAL A 67 -13.105 0.636 15.741 1.00 0.00 C ATOM 922 C VAL A 67 -11.724 1.291 15.650 1.00 0.00 C ATOM 923 O VAL A 67 -10.926 1.229 16.563 1.00 0.00 O ATOM 924 CB VAL A 67 -13.253 -0.467 14.686 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.936 -1.218 14.502 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.335 -1.454 15.129 1.00 0.00 C ATOM 0 H VAL A 67 -14.826 1.446 14.780 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.242 0.192 16.727 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.531 -0.005 13.739 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.063 -1.996 13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.163 -0.522 14.177 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.641 -1.673 15.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.441 -2.238 14.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.053 -1.899 16.083 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.283 -0.928 15.240 1.00 0.00 H new ATOM 936 N LEU A 68 -11.464 1.955 14.555 1.00 0.00 N ATOM 937 CA LEU A 68 -10.167 2.667 14.385 1.00 0.00 C ATOM 938 C LEU A 68 -9.909 3.464 15.672 1.00 0.00 C ATOM 939 O LEU A 68 -8.787 3.627 16.108 1.00 0.00 O ATOM 940 CB LEU A 68 -10.315 3.608 13.177 1.00 0.00 C ATOM 941 CG LEU A 68 -8.990 3.836 12.432 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.003 4.586 13.309 1.00 0.00 C ATOM 943 CD2 LEU A 68 -8.375 2.508 12.028 1.00 0.00 C ATOM 0 H LEU A 68 -12.103 2.034 13.764 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.334 1.986 14.211 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.048 3.192 12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.706 4.568 13.516 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.206 4.427 11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.072 4.737 12.762 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.423 5.553 13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.804 4.007 14.211 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.437 2.686 11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.183 1.910 12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.063 1.973 11.373 1.00 0.00 H new ATOM 955 N PHE A 69 -10.961 3.942 16.291 1.00 0.00 N ATOM 956 CA PHE A 69 -10.818 4.711 17.563 1.00 0.00 C ATOM 957 C PHE A 69 -10.838 3.752 18.760 1.00 0.00 C ATOM 958 O PHE A 69 -10.156 3.957 19.744 1.00 0.00 O ATOM 959 CB PHE A 69 -11.972 5.701 17.699 1.00 0.00 C ATOM 960 CG PHE A 69 -11.504 7.080 17.306 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.809 7.266 16.105 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.765 8.171 18.141 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.375 8.545 15.740 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.330 9.450 17.776 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.635 9.638 16.576 1.00 0.00 C ATOM 0 H PHE A 69 -11.921 3.830 15.965 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.871 5.250 17.544 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.804 5.394 17.066 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.339 5.709 18.725 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.608 6.423 15.461 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.302 8.027 19.067 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.839 8.689 14.813 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.531 10.293 18.421 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.299 10.625 16.295 1.00 0.00 H new ATOM 975 N ALA A 70 -11.630 2.714 18.685 1.00 0.00 N ATOM 976 CA ALA A 70 -11.709 1.743 19.818 1.00 0.00 C ATOM 977 C ALA A 70 -10.367 1.047 19.974 1.00 0.00 C ATOM 978 O ALA A 70 -9.968 0.664 21.056 1.00 0.00 O ATOM 979 CB ALA A 70 -12.770 0.681 19.512 1.00 0.00 C ATOM 0 H ALA A 70 -12.227 2.496 17.887 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.969 2.278 20.731 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.826 -0.026 20.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.739 1.162 19.380 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.501 0.150 18.599 1.00 0.00 H new ATOM 985 N GLN A 71 -9.684 0.857 18.889 1.00 0.00 N ATOM 986 CA GLN A 71 -8.375 0.158 18.938 1.00 0.00 C ATOM 987 C GLN A 71 -7.436 0.869 17.970 1.00 0.00 C ATOM 988 O GLN A 71 -7.132 0.362 16.908 1.00 0.00 O ATOM 989 CB GLN A 71 -8.560 -1.315 18.525 1.00 0.00 C ATOM 990 CG GLN A 71 -10.054 -1.616 18.309 1.00 0.00 C ATOM 991 CD GLN A 71 -10.336 -3.095 18.536 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.453 -3.923 18.436 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.550 -3.460 18.842 1.00 0.00 N ATOM 0 H GLN A 71 -9.977 1.158 17.960 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.960 0.178 19.946 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.003 -1.518 17.610 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.156 -1.971 19.296 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.655 -1.016 18.992 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.346 -1.335 17.297 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.287 -2.760 18.925 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.762 -4.445 18.999 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.031 2.050 18.363 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.152 2.899 17.551 1.00 0.00 C ATOM 1004 C PRO A 72 -4.699 2.429 17.596 1.00 0.00 C ATOM 1005 O PRO A 72 -3.818 3.164 17.997 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.282 4.283 18.195 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.778 4.048 19.641 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.409 2.643 19.663 1.00 0.00 C ATOM 0 HA PRO A 72 -6.432 2.881 16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.324 4.804 18.193 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.984 4.905 17.640 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.953 4.114 20.350 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.507 4.805 19.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.030 2.050 20.495 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.492 2.695 19.776 1.00 0.00 H new ATOM 1016 N THR A 73 -4.422 1.232 17.165 1.00 0.00 N ATOM 1017 CA THR A 73 -3.007 0.785 17.172 1.00 0.00 C ATOM 1018 C THR A 73 -2.773 -0.304 16.113 1.00 0.00 C ATOM 1019 O THR A 73 -3.699 -0.799 15.507 1.00 0.00 O ATOM 1020 CB THR A 73 -2.663 0.292 18.567 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.270 0.087 18.670 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.404 -1.004 18.832 1.00 0.00 C ATOM 0 H THR A 73 -5.101 0.556 16.815 1.00 0.00 H new ATOM 0 HA THR A 73 -2.353 1.618 16.916 1.00 0.00 H new ATOM 0 HB THR A 73 -2.962 1.036 19.306 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.798 0.804 18.197 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.162 -1.364 19.832 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.478 -0.831 18.759 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.106 -1.751 18.096 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.531 -0.666 15.876 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.227 -1.703 14.838 1.00 0.00 C ATOM 1032 C ILE A 74 -1.786 -3.067 15.239 1.00 0.00 C ATOM 1033 O ILE A 74 -2.758 -3.533 14.678 1.00 0.00 O ATOM 1034 CB ILE A 74 0.284 -1.828 14.649 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.892 -0.437 14.454 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.564 -2.695 13.416 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.268 -0.547 13.794 1.00 0.00 C ATOM 0 H ILE A 74 -0.716 -0.287 16.358 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.697 -1.387 13.907 1.00 0.00 H new ATOM 0 HB ILE A 74 0.730 -2.291 15.529 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.232 0.172 13.836 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.982 0.066 15.417 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.641 -2.789 13.274 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.129 -3.684 13.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.121 -2.229 12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.689 0.450 13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.929 -1.139 14.427 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.168 -1.031 12.822 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.168 -3.723 16.184 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.657 -5.071 16.591 1.00 0.00 C ATOM 1051 C LYS A 75 -3.179 -5.050 16.676 1.00 0.00 C ATOM 1052 O LYS A 75 -3.858 -5.788 16.003 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.075 -5.449 17.956 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.601 -6.825 18.368 1.00 0.00 C ATOM 1055 CD LYS A 75 -2.366 -6.709 19.687 1.00 0.00 C ATOM 1056 CE LYS A 75 -1.455 -7.119 20.844 1.00 0.00 C ATOM 1057 NZ LYS A 75 -2.207 -8.000 21.782 1.00 0.00 N ATOM 0 H LYS A 75 -0.349 -3.385 16.690 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.339 -5.807 15.852 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.014 -5.463 17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.352 -4.703 18.701 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.254 -7.223 17.591 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.772 -7.524 18.477 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.713 -5.686 19.829 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.250 -7.346 19.664 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.578 -7.641 20.462 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.096 -6.234 21.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.587 -8.279 22.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.031 -7.487 22.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.529 -8.850 21.277 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.718 -4.204 17.495 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.196 -4.134 17.622 1.00 0.00 C ATOM 1073 C ALA A 76 -5.842 -4.086 16.230 1.00 0.00 C ATOM 1074 O ALA A 76 -6.594 -4.963 15.858 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.560 -2.879 18.407 1.00 0.00 C ATOM 0 H ALA A 76 -3.200 -3.554 18.086 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.563 -5.017 18.144 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.643 -2.815 18.508 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.105 -2.924 19.397 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.192 -2.000 17.878 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.556 -3.068 15.459 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.156 -2.968 14.089 1.00 0.00 C ATOM 1083 C LEU A 77 -5.875 -4.259 13.312 1.00 0.00 C ATOM 1084 O LEU A 77 -6.776 -5.019 12.994 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.518 -1.789 13.332 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.438 -0.556 13.274 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.207 -0.555 11.957 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.425 -0.547 14.437 1.00 0.00 C ATOM 0 H LEU A 77 -4.934 -2.301 15.716 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.231 -2.814 14.180 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.580 -1.516 13.816 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.273 -2.103 12.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.816 0.336 13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.858 0.318 11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.504 -0.522 11.125 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.810 -1.461 11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.061 0.336 14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.044 -1.444 14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.877 -0.527 15.379 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.632 -4.514 12.998 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.297 -5.749 12.239 1.00 0.00 C ATOM 1102 C ALA A 78 -5.016 -6.930 12.879 1.00 0.00 C ATOM 1103 O ALA A 78 -5.466 -7.831 12.207 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.788 -5.985 12.279 1.00 0.00 C ATOM 0 H ALA A 78 -3.837 -3.920 13.235 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.612 -5.641 11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.546 -6.890 11.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.275 -5.135 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.465 -6.098 13.314 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.138 -6.925 14.174 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.840 -8.038 14.859 1.00 0.00 C ATOM 1112 C GLN A 79 -7.329 -7.941 14.534 1.00 0.00 C ATOM 1113 O GLN A 79 -7.988 -8.933 14.293 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.634 -7.913 16.367 1.00 0.00 C ATOM 1115 CG GLN A 79 -4.236 -8.408 16.745 1.00 0.00 C ATOM 1116 CD GLN A 79 -4.046 -9.844 16.255 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -4.787 -10.731 16.631 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -3.072 -10.113 15.430 1.00 0.00 N ATOM 0 H GLN A 79 -4.780 -6.194 14.789 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.447 -8.998 14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.757 -6.875 16.675 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.390 -8.494 16.895 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.479 -7.760 16.303 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.104 -8.362 17.826 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.450 -9.368 15.115 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.932 -11.068 15.100 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.868 -6.749 14.511 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.310 -6.608 14.180 1.00 0.00 C ATOM 1129 C TYR A 80 -9.554 -7.280 12.833 1.00 0.00 C ATOM 1130 O TYR A 80 -10.578 -7.893 12.602 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.697 -5.130 14.098 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.136 -4.979 14.529 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -12.155 -5.573 13.776 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.451 -4.256 15.686 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.489 -5.443 14.176 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -12.786 -4.127 16.089 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.805 -4.721 15.334 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.120 -4.596 15.730 1.00 0.00 O ATOM 0 H TYR A 80 -7.375 -5.878 14.706 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.916 -7.076 14.956 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.047 -4.534 14.738 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.567 -4.762 13.080 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.911 -6.132 12.885 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.665 -3.798 16.268 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.275 -5.899 13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.030 -3.570 16.982 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.165 -4.066 16.553 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.598 -7.184 11.951 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.739 -7.833 10.610 1.00 0.00 C ATOM 1150 C VAL A 81 -8.236 -9.265 10.717 1.00 0.00 C ATOM 1151 O VAL A 81 -8.978 -10.224 10.634 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.864 -7.113 9.567 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.666 -6.910 8.287 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.398 -5.758 10.108 1.00 0.00 C ATOM 0 H VAL A 81 -7.722 -6.683 12.098 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.785 -7.791 10.305 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.987 -7.724 9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.048 -6.400 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.977 -7.878 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.547 -6.306 8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.781 -5.260 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.266 -5.138 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.815 -5.910 11.017 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.960 -9.388 10.902 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.314 -10.712 11.023 1.00 0.00 C ATOM 1166 C ALA A 82 -7.139 -11.629 11.931 1.00 0.00 C ATOM 1167 O ALA A 82 -7.447 -12.752 11.580 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.933 -10.480 11.622 1.00 0.00 C ATOM 0 H ALA A 82 -6.318 -8.599 10.977 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.240 -11.196 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.418 -11.435 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.356 -9.829 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.035 -10.010 12.600 1.00 0.00 H new ATOM 1174 N THR A 83 -7.493 -11.165 13.095 1.00 0.00 N ATOM 1175 CA THR A 83 -8.291 -12.010 14.025 1.00 0.00 C ATOM 1176 C THR A 83 -9.738 -11.512 14.055 1.00 0.00 C ATOM 1177 O THR A 83 -10.000 -10.478 13.462 1.00 0.00 O ATOM 1178 CB THR A 83 -7.689 -11.919 15.429 1.00 0.00 C ATOM 1179 OG1 THR A 83 -7.001 -10.684 15.564 1.00 0.00 O ATOM 1180 CG2 THR A 83 -6.710 -13.073 15.643 1.00 0.00 C ATOM 0 H THR A 83 -7.264 -10.234 13.444 1.00 0.00 H new ATOM 0 HA THR A 83 -8.274 -13.046 13.685 1.00 0.00 H new ATOM 0 HB THR A 83 -8.485 -11.979 16.171 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.360 -10.746 16.302 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.282 -13.007 16.643 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.236 -14.021 15.536 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.912 -13.015 14.903 1.00 0.00 H new TER 1188 THR A 83