USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 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 8 THR OG1 : rot 130:sc= 0.0625 USER MOD Set 1.2: A 12 HIS : no HD1:sc= -0.443 X(o=-0.38,f=-0.69) USER MOD Single : A 1 SER N :NH3+ -154:sc= 0.165 (180deg=0.0264) USER MOD Single : A 1 SER OG : rot 44:sc= 0.361 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.171 X(o=-0.17,f=-0.49) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 16 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.0032) USER MOD Single : A 21 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 22 TYR OH : rot 15:sc= -0.464 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -28.310 -13.216 5.553 1.00 0.00 N ATOM 2 CA SER A 1 -28.454 -11.871 4.917 1.00 0.00 C ATOM 3 C SER A 1 -27.128 -11.445 4.274 1.00 0.00 C ATOM 4 O SER A 1 -26.100 -11.401 4.926 1.00 0.00 O ATOM 5 CB SER A 1 -28.832 -10.918 6.057 1.00 0.00 C ATOM 6 OG SER A 1 -27.921 -11.082 7.139 1.00 0.00 O ATOM 0 H1 SER A 1 -29.238 -13.685 5.588 1.00 0.00 H new ATOM 0 H2 SER A 1 -27.650 -13.795 4.995 1.00 0.00 H new ATOM 0 H3 SER A 1 -27.941 -13.105 6.519 1.00 0.00 H new ATOM 0 HA SER A 1 -29.206 -11.870 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 1 -28.811 -9.887 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 1 -29.850 -11.120 6.391 1.00 0.00 H new ATOM 0 HG SER A 1 -27.006 -11.131 6.792 1.00 0.00 H new ATOM 11 N ASP A 2 -27.145 -11.134 3.003 1.00 0.00 N ATOM 12 CA ASP A 2 -25.886 -10.715 2.314 1.00 0.00 C ATOM 13 C ASP A 2 -26.023 -9.290 1.754 1.00 0.00 C ATOM 14 O ASP A 2 -25.459 -8.959 0.727 1.00 0.00 O ATOM 15 CB ASP A 2 -25.701 -11.730 1.183 1.00 0.00 C ATOM 16 CG ASP A 2 -25.437 -13.117 1.777 1.00 0.00 C ATOM 17 OD1 ASP A 2 -24.332 -13.341 2.243 1.00 0.00 O ATOM 18 OD2 ASP A 2 -26.347 -13.930 1.759 1.00 0.00 O ATOM 0 H ASP A 2 -27.976 -11.152 2.412 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.032 -10.698 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -26.591 -11.756 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.869 -11.432 0.545 1.00 0.00 H new ATOM 23 N LEU A 3 -26.766 -8.446 2.428 1.00 0.00 N ATOM 24 CA LEU A 3 -26.943 -7.040 1.946 1.00 0.00 C ATOM 25 C LEU A 3 -25.727 -6.173 2.326 1.00 0.00 C ATOM 26 O LEU A 3 -25.171 -5.506 1.474 1.00 0.00 O ATOM 27 CB LEU A 3 -28.215 -6.525 2.634 1.00 0.00 C ATOM 28 CG LEU A 3 -29.000 -5.634 1.667 1.00 0.00 C ATOM 29 CD1 LEU A 3 -30.456 -5.543 2.124 1.00 0.00 C ATOM 30 CD2 LEU A 3 -28.383 -4.232 1.648 1.00 0.00 C ATOM 0 H LEU A 3 -27.258 -8.671 3.293 1.00 0.00 H new ATOM 0 HA LEU A 3 -27.027 -6.996 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -28.833 -7.364 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.953 -5.963 3.530 1.00 0.00 H new ATOM 0 HG LEU A 3 -28.960 -6.063 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -31.014 -4.909 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -30.896 -6.540 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -30.497 -5.115 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -28.942 -3.598 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -28.422 -3.804 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -27.345 -4.296 1.321 1.00 0.00 H new ATOM 42 N PRO A 4 -25.343 -6.204 3.590 1.00 0.00 N ATOM 43 CA PRO A 4 -24.180 -5.401 4.045 1.00 0.00 C ATOM 44 C PRO A 4 -22.859 -6.119 3.719 1.00 0.00 C ATOM 45 O PRO A 4 -22.027 -6.333 4.584 1.00 0.00 O ATOM 46 CB PRO A 4 -24.390 -5.296 5.553 1.00 0.00 C ATOM 47 CG PRO A 4 -25.217 -6.487 5.931 1.00 0.00 C ATOM 48 CD PRO A 4 -25.942 -6.967 4.696 1.00 0.00 C ATOM 0 HA PRO A 4 -24.115 -4.428 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -23.437 -5.297 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.898 -4.368 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -24.584 -7.278 6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -25.930 -6.223 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -25.812 -8.040 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -27.014 -6.783 4.769 1.00 0.00 H new ATOM 56 N ALA A 5 -22.656 -6.487 2.479 1.00 0.00 N ATOM 57 CA ALA A 5 -21.391 -7.185 2.090 1.00 0.00 C ATOM 58 C ALA A 5 -20.435 -6.205 1.398 1.00 0.00 C ATOM 59 O ALA A 5 -19.247 -6.197 1.661 1.00 0.00 O ATOM 60 CB ALA A 5 -21.823 -8.288 1.121 1.00 0.00 C ATOM 0 H ALA A 5 -23.315 -6.334 1.715 1.00 0.00 H new ATOM 0 HA ALA A 5 -20.862 -7.588 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -20.947 -8.846 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.515 -8.964 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.316 -7.841 0.257 1.00 0.00 H new ATOM 66 N LEU A 6 -20.946 -5.374 0.522 1.00 0.00 N ATOM 67 CA LEU A 6 -20.071 -4.390 -0.187 1.00 0.00 C ATOM 68 C LEU A 6 -20.111 -3.027 0.524 1.00 0.00 C ATOM 69 O LEU A 6 -20.072 -1.987 -0.108 1.00 0.00 O ATOM 70 CB LEU A 6 -20.654 -4.286 -1.603 1.00 0.00 C ATOM 71 CG LEU A 6 -19.696 -4.929 -2.615 1.00 0.00 C ATOM 72 CD1 LEU A 6 -18.333 -4.235 -2.554 1.00 0.00 C ATOM 73 CD2 LEU A 6 -19.526 -6.417 -2.290 1.00 0.00 C ATOM 0 H LEU A 6 -21.933 -5.335 0.268 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.027 -4.702 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.624 -4.782 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -20.820 -3.240 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.111 -4.821 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.657 -4.696 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -18.452 -3.178 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -17.918 -4.336 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.845 -6.871 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -19.117 -6.526 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -20.495 -6.914 -2.343 1.00 0.00 H new ATOM 85 N SER A 7 -20.178 -3.026 1.834 1.00 0.00 N ATOM 86 CA SER A 7 -20.212 -1.732 2.587 1.00 0.00 C ATOM 87 C SER A 7 -18.796 -1.318 3.027 1.00 0.00 C ATOM 88 O SER A 7 -18.627 -0.395 3.803 1.00 0.00 O ATOM 89 CB SER A 7 -21.094 -2.005 3.808 1.00 0.00 C ATOM 90 OG SER A 7 -22.382 -2.435 3.377 1.00 0.00 O ATOM 0 H SER A 7 -20.211 -3.864 2.414 1.00 0.00 H new ATOM 0 HA SER A 7 -20.598 -0.917 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.636 -2.768 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 7 -21.184 -1.103 4.414 1.00 0.00 H new ATOM 0 HG SER A 7 -22.946 -2.612 4.158 1.00 0.00 H new ATOM 96 N THR A 8 -17.781 -1.985 2.532 1.00 0.00 N ATOM 97 CA THR A 8 -16.378 -1.628 2.912 1.00 0.00 C ATOM 98 C THR A 8 -15.595 -1.153 1.678 1.00 0.00 C ATOM 99 O THR A 8 -14.385 -1.258 1.628 1.00 0.00 O ATOM 100 CB THR A 8 -15.767 -2.922 3.473 1.00 0.00 C ATOM 101 OG1 THR A 8 -16.019 -4.002 2.575 1.00 0.00 O ATOM 102 CG2 THR A 8 -16.376 -3.233 4.845 1.00 0.00 C ATOM 0 H THR A 8 -17.865 -2.764 1.879 1.00 0.00 H new ATOM 0 HA THR A 8 -16.346 -0.817 3.640 1.00 0.00 H new ATOM 0 HB THR A 8 -14.690 -2.791 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.183 -4.482 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.939 -4.151 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.169 -2.411 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.454 -3.358 4.745 1.00 0.00 H new ATOM 110 N GLY A 9 -16.275 -0.634 0.680 1.00 0.00 N ATOM 111 CA GLY A 9 -15.572 -0.160 -0.552 1.00 0.00 C ATOM 112 C GLY A 9 -14.630 1.000 -0.211 1.00 0.00 C ATOM 113 O GLY A 9 -13.466 0.983 -0.564 1.00 0.00 O ATOM 0 H GLY A 9 -17.288 -0.519 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.006 -0.980 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.302 0.161 -1.295 1.00 0.00 H new ATOM 117 N LEU A 10 -15.123 2.005 0.471 1.00 0.00 N ATOM 118 CA LEU A 10 -14.252 3.169 0.834 1.00 0.00 C ATOM 119 C LEU A 10 -13.133 2.724 1.783 1.00 0.00 C ATOM 120 O LEU A 10 -11.983 3.081 1.603 1.00 0.00 O ATOM 121 CB LEU A 10 -15.180 4.175 1.530 1.00 0.00 C ATOM 122 CG LEU A 10 -15.658 5.236 0.528 1.00 0.00 C ATOM 123 CD1 LEU A 10 -14.465 6.060 0.034 1.00 0.00 C ATOM 124 CD2 LEU A 10 -16.337 4.555 -0.665 1.00 0.00 C ATOM 0 H LEU A 10 -16.089 2.071 0.792 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.771 3.604 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.038 3.655 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.655 4.655 2.356 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.372 5.895 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.811 6.811 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.988 6.554 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.746 5.402 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.674 5.312 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.627 3.890 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.193 3.978 -0.316 1.00 0.00 H new ATOM 136 N LEU A 11 -13.460 1.944 2.786 1.00 0.00 N ATOM 137 CA LEU A 11 -12.412 1.468 3.745 1.00 0.00 C ATOM 138 C LEU A 11 -11.361 0.630 3.004 1.00 0.00 C ATOM 139 O LEU A 11 -10.172 0.801 3.199 1.00 0.00 O ATOM 140 CB LEU A 11 -13.164 0.614 4.773 1.00 0.00 C ATOM 141 CG LEU A 11 -12.304 0.443 6.030 1.00 0.00 C ATOM 142 CD1 LEU A 11 -12.238 1.768 6.797 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.923 -0.631 6.927 1.00 0.00 C ATOM 0 H LEU A 11 -14.406 1.617 2.982 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.881 2.293 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.111 1.088 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.401 -0.361 4.347 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.297 0.144 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.626 1.641 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.797 2.535 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.244 2.071 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.313 -0.754 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.930 -0.329 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.968 -1.576 6.385 1.00 0.00 H new ATOM 155 N HIS A 12 -11.795 -0.265 2.146 1.00 0.00 N ATOM 156 CA HIS A 12 -10.827 -1.108 1.377 1.00 0.00 C ATOM 157 C HIS A 12 -9.983 -0.220 0.456 1.00 0.00 C ATOM 158 O HIS A 12 -8.797 -0.434 0.292 1.00 0.00 O ATOM 159 CB HIS A 12 -11.689 -2.077 0.558 1.00 0.00 C ATOM 160 CG HIS A 12 -12.126 -3.239 1.416 1.00 0.00 C ATOM 161 ND1 HIS A 12 -12.108 -3.194 2.804 1.00 0.00 N ATOM 162 CD2 HIS A 12 -12.601 -4.487 1.092 1.00 0.00 C ATOM 163 CE1 HIS A 12 -12.558 -4.378 3.255 1.00 0.00 C ATOM 164 NE2 HIS A 12 -12.873 -5.202 2.254 1.00 0.00 N ATOM 0 H HIS A 12 -12.779 -0.447 1.946 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.137 -1.644 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.563 -1.556 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.124 -2.441 -0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.742 -4.857 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.653 -4.631 4.301 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.236 -6.153 2.325 1.00 0.00 H new ATOM 172 N LEU A 13 -10.587 0.787 -0.136 1.00 0.00 N ATOM 173 CA LEU A 13 -9.821 1.708 -1.034 1.00 0.00 C ATOM 174 C LEU A 13 -8.692 2.383 -0.244 1.00 0.00 C ATOM 175 O LEU A 13 -7.583 2.520 -0.727 1.00 0.00 O ATOM 176 CB LEU A 13 -10.844 2.747 -1.510 1.00 0.00 C ATOM 177 CG LEU A 13 -10.230 3.610 -2.615 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.324 2.874 -3.954 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.994 4.933 -2.709 1.00 0.00 C ATOM 0 H LEU A 13 -11.577 1.009 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.360 1.185 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.738 2.247 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.154 3.375 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.183 3.806 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.886 3.490 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.783 1.930 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.370 2.677 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.559 5.550 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.040 4.733 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.928 5.460 -1.757 1.00 0.00 H new ATOM 191 N HIS A 14 -8.968 2.793 0.974 1.00 0.00 N ATOM 192 CA HIS A 14 -7.917 3.446 1.814 1.00 0.00 C ATOM 193 C HIS A 14 -6.773 2.457 2.070 1.00 0.00 C ATOM 194 O HIS A 14 -5.618 2.766 1.851 1.00 0.00 O ATOM 195 CB HIS A 14 -8.626 3.820 3.126 1.00 0.00 C ATOM 196 CG HIS A 14 -7.608 4.191 4.177 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.736 3.799 5.502 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.440 4.911 4.113 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.674 4.281 6.173 1.00 0.00 C ATOM 200 NE2 HIS A 14 -5.852 4.967 5.373 1.00 0.00 N ATOM 0 H HIS A 14 -9.880 2.702 1.421 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.480 4.322 1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.306 4.655 2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.231 2.982 3.474 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.497 3.246 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.038 5.365 3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.506 4.132 7.229 1.00 0.00 H new ATOM 208 N GLN A 15 -7.092 1.266 2.522 1.00 0.00 N ATOM 209 CA GLN A 15 -6.031 0.244 2.786 1.00 0.00 C ATOM 210 C GLN A 15 -5.221 -0.025 1.509 1.00 0.00 C ATOM 211 O GLN A 15 -4.025 -0.237 1.558 1.00 0.00 O ATOM 212 CB GLN A 15 -6.789 -1.016 3.218 1.00 0.00 C ATOM 213 CG GLN A 15 -5.848 -1.951 3.987 1.00 0.00 C ATOM 214 CD GLN A 15 -5.789 -1.530 5.459 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.767 -1.632 6.173 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.674 -1.059 5.948 1.00 0.00 N ATOM 0 H GLN A 15 -8.044 0.958 2.719 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.323 0.573 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.638 -0.744 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.190 -1.528 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.198 -2.980 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.850 -1.918 3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.852 -0.972 5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.625 -0.778 6.927 1.00 0.00 H new ATOM 225 N ASN A 16 -5.868 -0.010 0.366 1.00 0.00 N ATOM 226 CA ASN A 16 -5.144 -0.257 -0.922 1.00 0.00 C ATOM 227 C ASN A 16 -4.119 0.852 -1.192 1.00 0.00 C ATOM 228 O ASN A 16 -3.058 0.602 -1.730 1.00 0.00 O ATOM 229 CB ASN A 16 -6.232 -0.248 -2.001 1.00 0.00 C ATOM 230 CG ASN A 16 -5.688 -0.880 -3.287 1.00 0.00 C ATOM 231 OD1 ASN A 16 -6.084 -1.968 -3.653 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.790 -0.242 -3.992 1.00 0.00 N ATOM 0 H ASN A 16 -6.869 0.163 0.270 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.592 -1.197 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.106 -0.800 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.557 0.774 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.423 -0.658 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.456 0.672 -3.686 1.00 0.00 H new ATOM 239 N ILE A 17 -4.428 2.075 -0.833 1.00 0.00 N ATOM 240 CA ILE A 17 -3.470 3.198 -1.079 1.00 0.00 C ATOM 241 C ILE A 17 -2.493 3.346 0.099 1.00 0.00 C ATOM 242 O ILE A 17 -1.352 3.726 -0.082 1.00 0.00 O ATOM 243 CB ILE A 17 -4.348 4.450 -1.224 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.227 4.317 -2.474 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.462 5.692 -1.362 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.496 5.156 -2.301 1.00 0.00 C ATOM 0 H ILE A 17 -5.302 2.344 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.859 3.027 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.977 4.549 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.677 4.649 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.489 3.272 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.090 6.577 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.835 5.792 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.830 5.592 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.119 5.060 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.049 4.804 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.224 6.202 -2.159 1.00 0.00 H new ATOM 258 N VAL A 18 -2.930 3.050 1.300 1.00 0.00 N ATOM 259 CA VAL A 18 -2.022 3.177 2.483 1.00 0.00 C ATOM 260 C VAL A 18 -0.955 2.071 2.455 1.00 0.00 C ATOM 261 O VAL A 18 0.209 2.317 2.708 1.00 0.00 O ATOM 262 CB VAL A 18 -2.950 3.078 3.716 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.735 1.765 4.477 1.00 0.00 C ATOM 264 CG2 VAL A 18 -2.665 4.253 4.656 1.00 0.00 C ATOM 0 H VAL A 18 -3.874 2.727 1.511 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.468 4.116 2.495 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.982 3.106 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.403 1.729 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.947 0.923 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.701 1.707 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.317 4.188 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.624 4.217 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.851 5.191 4.133 1.00 0.00 H new ATOM 274 N ASP A 19 -1.344 0.861 2.137 1.00 0.00 N ATOM 275 CA ASP A 19 -0.354 -0.265 2.081 1.00 0.00 C ATOM 276 C ASP A 19 0.700 -0.013 0.987 1.00 0.00 C ATOM 277 O ASP A 19 1.804 -0.523 1.052 1.00 0.00 O ATOM 278 CB ASP A 19 -1.176 -1.518 1.760 1.00 0.00 C ATOM 279 CG ASP A 19 -0.564 -2.726 2.473 1.00 0.00 C ATOM 280 OD1 ASP A 19 0.395 -3.274 1.955 1.00 0.00 O ATOM 281 OD2 ASP A 19 -1.064 -3.081 3.528 1.00 0.00 O ATOM 0 H ASP A 19 -2.305 0.602 1.913 1.00 0.00 H new ATOM 0 HA ASP A 19 0.190 -0.368 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.209 -1.379 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.194 -1.688 0.684 1.00 0.00 H new ATOM 286 N VAL A 20 0.367 0.774 -0.009 1.00 0.00 N ATOM 287 CA VAL A 20 1.343 1.070 -1.106 1.00 0.00 C ATOM 288 C VAL A 20 2.595 1.751 -0.544 1.00 0.00 C ATOM 289 O VAL A 20 3.701 1.464 -0.953 1.00 0.00 O ATOM 290 CB VAL A 20 0.598 2.013 -2.058 1.00 0.00 C ATOM 291 CG1 VAL A 20 1.582 2.627 -3.053 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.470 1.227 -2.819 1.00 0.00 C ATOM 0 H VAL A 20 -0.542 1.225 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 20 1.680 0.164 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 20 0.126 2.808 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.048 3.296 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.343 3.189 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.058 1.834 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.001 1.896 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.004 0.431 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.176 0.793 -2.111 1.00 0.00 H new ATOM 302 N GLN A 21 2.427 2.645 0.391 1.00 0.00 N ATOM 303 CA GLN A 21 3.611 3.343 0.983 1.00 0.00 C ATOM 304 C GLN A 21 4.508 2.349 1.737 1.00 0.00 C ATOM 305 O GLN A 21 5.679 2.604 1.949 1.00 0.00 O ATOM 306 CB GLN A 21 3.030 4.382 1.946 1.00 0.00 C ATOM 307 CG GLN A 21 2.604 5.628 1.163 1.00 0.00 C ATOM 308 CD GLN A 21 3.827 6.508 0.890 1.00 0.00 C ATOM 309 OE1 GLN A 21 4.372 6.491 -0.195 1.00 0.00 O ATOM 310 NE2 GLN A 21 4.286 7.281 1.836 1.00 0.00 N ATOM 0 H GLN A 21 1.523 2.925 0.773 1.00 0.00 H new ATOM 0 HA GLN A 21 4.233 3.804 0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.174 3.963 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.771 4.649 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.136 5.336 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.860 6.188 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.830 7.297 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.101 7.869 1.663 1.00 0.00 H new ATOM 319 N TYR A 22 3.975 1.217 2.138 1.00 0.00 N ATOM 320 CA TYR A 22 4.808 0.213 2.872 1.00 0.00 C ATOM 321 C TYR A 22 5.399 -0.789 1.875 1.00 0.00 C ATOM 322 O TYR A 22 6.584 -1.054 1.880 1.00 0.00 O ATOM 323 CB TYR A 22 3.867 -0.506 3.858 1.00 0.00 C ATOM 324 CG TYR A 22 2.868 0.459 4.470 1.00 0.00 C ATOM 325 CD1 TYR A 22 3.237 1.780 4.762 1.00 0.00 C ATOM 326 CD2 TYR A 22 1.566 0.024 4.735 1.00 0.00 C ATOM 327 CE1 TYR A 22 2.303 2.661 5.316 1.00 0.00 C ATOM 328 CE2 TYR A 22 0.634 0.904 5.291 1.00 0.00 C ATOM 329 CZ TYR A 22 1.001 2.224 5.582 1.00 0.00 C ATOM 330 OH TYR A 22 0.079 3.093 6.129 1.00 0.00 O ATOM 0 H TYR A 22 3.003 0.947 1.989 1.00 0.00 H new ATOM 0 HA TYR A 22 5.634 0.688 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.335 -1.304 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.454 -0.975 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.243 2.117 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.280 -0.993 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.587 3.679 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.371 0.566 5.497 1.00 0.00 H new ATOM 0 HH TYR A 22 0.408 4.012 6.049 1.00 0.00 H new ATOM 340 N MET A 23 4.580 -1.343 1.011 1.00 0.00 N ATOM 341 CA MET A 23 5.094 -2.323 0.003 1.00 0.00 C ATOM 342 C MET A 23 5.919 -1.596 -1.067 1.00 0.00 C ATOM 343 O MET A 23 6.943 -2.084 -1.507 1.00 0.00 O ATOM 344 CB MET A 23 3.844 -2.953 -0.619 1.00 0.00 C ATOM 345 CG MET A 23 3.330 -4.078 0.284 1.00 0.00 C ATOM 346 SD MET A 23 3.105 -5.583 -0.695 1.00 0.00 S ATOM 347 CE MET A 23 2.757 -6.704 0.683 1.00 0.00 C ATOM 0 H MET A 23 3.578 -1.158 0.961 1.00 0.00 H new ATOM 0 HA MET A 23 5.744 -3.073 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.070 -2.196 -0.750 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.077 -3.346 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.037 -4.260 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.386 -3.787 0.744 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.584 -7.709 0.299 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.607 -6.717 1.365 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.870 -6.361 1.216 1.00 0.00 H new ATOM 357 N TYR A 24 5.482 -0.432 -1.480 1.00 0.00 N ATOM 358 CA TYR A 24 6.237 0.339 -2.515 1.00 0.00 C ATOM 359 C TYR A 24 7.047 1.459 -1.846 1.00 0.00 C ATOM 360 O TYR A 24 7.020 2.600 -2.270 1.00 0.00 O ATOM 361 CB TYR A 24 5.160 0.922 -3.440 1.00 0.00 C ATOM 362 CG TYR A 24 5.182 0.200 -4.766 1.00 0.00 C ATOM 363 CD1 TYR A 24 6.140 0.534 -5.731 1.00 0.00 C ATOM 364 CD2 TYR A 24 4.242 -0.804 -5.033 1.00 0.00 C ATOM 365 CE1 TYR A 24 6.160 -0.134 -6.960 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.262 -1.471 -6.263 1.00 0.00 C ATOM 367 CZ TYR A 24 5.220 -1.137 -7.226 1.00 0.00 C ATOM 368 OH TYR A 24 5.238 -1.795 -8.439 1.00 0.00 O ATOM 0 H TYR A 24 4.631 0.019 -1.143 1.00 0.00 H new ATOM 0 HA TYR A 24 6.946 -0.281 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.178 0.823 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.335 1.987 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.864 1.308 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.502 -1.063 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.900 0.124 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.537 -2.245 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 24 4.520 -2.462 -8.460 1.00 0.00 H new ATOM 378 N GLY A 25 7.767 1.137 -0.801 1.00 0.00 N ATOM 379 CA GLY A 25 8.580 2.175 -0.097 1.00 0.00 C ATOM 380 C GLY A 25 9.325 1.542 1.084 1.00 0.00 C ATOM 381 O GLY A 25 10.523 1.700 1.227 1.00 0.00 O ATOM 0 H GLY A 25 7.827 0.199 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.292 2.623 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.933 2.977 0.258 1.00 0.00 H new ATOM 385 N LEU A 26 8.622 0.830 1.931 1.00 0.00 N ATOM 386 CA LEU A 26 9.280 0.185 3.111 1.00 0.00 C ATOM 387 C LEU A 26 9.670 -1.275 2.808 1.00 0.00 C ATOM 388 O LEU A 26 9.823 -2.077 3.709 1.00 0.00 O ATOM 389 CB LEU A 26 8.224 0.238 4.221 1.00 0.00 C ATOM 390 CG LEU A 26 8.913 0.236 5.589 1.00 0.00 C ATOM 391 CD1 LEU A 26 8.891 1.648 6.176 1.00 0.00 C ATOM 392 CD2 LEU A 26 8.174 -0.719 6.532 1.00 0.00 C ATOM 0 H LEU A 26 7.618 0.667 1.856 1.00 0.00 H new ATOM 0 HA LEU A 26 10.204 0.694 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.613 1.134 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.553 -0.617 4.139 1.00 0.00 H new ATOM 0 HG LEU A 26 9.946 -0.093 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.382 1.645 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.417 2.329 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.859 1.978 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.664 -0.721 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.141 -0.390 6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.190 -1.726 6.116 1.00 0.00 H new ATOM 404 N SER A 27 9.840 -1.623 1.554 1.00 0.00 N ATOM 405 CA SER A 27 10.226 -3.031 1.204 1.00 0.00 C ATOM 406 C SER A 27 11.607 -3.394 1.793 1.00 0.00 C ATOM 407 O SER A 27 11.746 -4.430 2.419 1.00 0.00 O ATOM 408 CB SER A 27 10.258 -3.076 -0.328 1.00 0.00 C ATOM 409 OG SER A 27 10.911 -4.267 -0.757 1.00 0.00 O ATOM 0 H SER A 27 9.729 -0.995 0.758 1.00 0.00 H new ATOM 0 HA SER A 27 9.521 -3.753 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.243 -3.043 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.781 -2.202 -0.717 1.00 0.00 H new ATOM 0 HG SER A 27 10.929 -4.295 -1.736 1.00 0.00 H new ATOM 415 N PRO A 28 12.591 -2.539 1.577 1.00 0.00 N ATOM 416 CA PRO A 28 13.957 -2.809 2.105 1.00 0.00 C ATOM 417 C PRO A 28 14.019 -2.618 3.631 1.00 0.00 C ATOM 418 O PRO A 28 15.001 -2.964 4.261 1.00 0.00 O ATOM 419 CB PRO A 28 14.828 -1.777 1.394 1.00 0.00 C ATOM 420 CG PRO A 28 13.899 -0.663 1.036 1.00 0.00 C ATOM 421 CD PRO A 28 12.535 -1.267 0.836 1.00 0.00 C ATOM 0 HA PRO A 28 14.277 -3.835 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.632 -1.427 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.296 -2.201 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.875 0.087 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.234 -0.160 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.751 -0.616 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.323 -1.431 -0.221 1.00 0.00 H new ATOM 429 N ALA A 29 12.985 -2.078 4.226 1.00 0.00 N ATOM 430 CA ALA A 29 12.990 -1.871 5.706 1.00 0.00 C ATOM 431 C ALA A 29 12.202 -2.987 6.404 1.00 0.00 C ATOM 432 O ALA A 29 12.665 -3.569 7.364 1.00 0.00 O ATOM 433 CB ALA A 29 12.314 -0.515 5.923 1.00 0.00 C ATOM 0 H ALA A 29 12.137 -1.771 3.750 1.00 0.00 H new ATOM 0 HA ALA A 29 13.998 -1.892 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.280 -0.292 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.881 0.261 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.299 -0.547 5.526 1.00 0.00 H new ATOM 439 N ILE A 30 11.015 -3.283 5.932 1.00 0.00 N ATOM 440 CA ILE A 30 10.190 -4.360 6.570 1.00 0.00 C ATOM 441 C ILE A 30 10.891 -5.726 6.483 1.00 0.00 C ATOM 442 O ILE A 30 10.654 -6.600 7.294 1.00 0.00 O ATOM 443 CB ILE A 30 8.861 -4.366 5.797 1.00 0.00 C ATOM 444 CG1 ILE A 30 7.818 -5.167 6.584 1.00 0.00 C ATOM 445 CG2 ILE A 30 9.052 -5.000 4.413 1.00 0.00 C ATOM 446 CD1 ILE A 30 6.418 -4.843 6.057 1.00 0.00 C ATOM 0 H ILE A 30 10.580 -2.825 5.131 1.00 0.00 H new ATOM 0 HA ILE A 30 10.037 -4.172 7.633 1.00 0.00 H new ATOM 0 HB ILE A 30 8.521 -3.338 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.016 -6.235 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.883 -4.925 7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.103 -4.997 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.788 -4.428 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.401 -6.026 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.677 -5.413 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.222 -3.777 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.356 -5.107 5.001 1.00 0.00 H new ATOM 458 N THR A 31 11.751 -5.914 5.512 1.00 0.00 N ATOM 459 CA THR A 31 12.466 -7.225 5.382 1.00 0.00 C ATOM 460 C THR A 31 13.454 -7.418 6.546 1.00 0.00 C ATOM 461 O THR A 31 13.735 -8.532 6.949 1.00 0.00 O ATOM 462 CB THR A 31 13.198 -7.162 4.029 1.00 0.00 C ATOM 463 OG1 THR A 31 13.599 -8.471 3.649 1.00 0.00 O ATOM 464 CG2 THR A 31 14.433 -6.260 4.130 1.00 0.00 C ATOM 0 H THR A 31 11.989 -5.219 4.805 1.00 0.00 H new ATOM 0 HA THR A 31 11.780 -8.071 5.420 1.00 0.00 H new ATOM 0 HB THR A 31 12.521 -6.749 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.064 -8.433 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.939 -6.226 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.126 -5.253 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.114 -6.658 4.883 1.00 0.00 H new ATOM 472 N LYS A 32 13.969 -6.342 7.095 1.00 0.00 N ATOM 473 CA LYS A 32 14.923 -6.459 8.240 1.00 0.00 C ATOM 474 C LYS A 32 14.273 -5.929 9.531 1.00 0.00 C ATOM 475 O LYS A 32 14.955 -5.578 10.476 1.00 0.00 O ATOM 476 CB LYS A 32 16.126 -5.595 7.845 1.00 0.00 C ATOM 477 CG LYS A 32 17.416 -6.252 8.346 1.00 0.00 C ATOM 478 CD LYS A 32 18.629 -5.504 7.785 1.00 0.00 C ATOM 479 CE LYS A 32 19.318 -6.362 6.716 1.00 0.00 C ATOM 480 NZ LYS A 32 20.521 -6.935 7.387 1.00 0.00 N ATOM 0 H LYS A 32 13.768 -5.387 6.797 1.00 0.00 H new ATOM 0 HA LYS A 32 15.212 -7.492 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.162 -5.478 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.025 -4.597 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.442 -6.240 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.447 -7.297 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.315 -4.553 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.330 -5.274 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.656 -7.149 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.599 -5.762 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.041 -7.534 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.138 -6.163 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.224 -7.508 8.203 1.00 0.00 H new ATOM 494 N TYR A 33 12.961 -5.868 9.575 1.00 0.00 N ATOM 495 CA TYR A 33 12.264 -5.361 10.799 1.00 0.00 C ATOM 496 C TYR A 33 11.308 -6.427 11.352 1.00 0.00 C ATOM 497 O TYR A 33 11.276 -6.683 12.540 1.00 0.00 O ATOM 498 CB TYR A 33 11.483 -4.129 10.332 1.00 0.00 C ATOM 499 CG TYR A 33 12.209 -2.878 10.767 1.00 0.00 C ATOM 500 CD1 TYR A 33 13.369 -2.473 10.098 1.00 0.00 C ATOM 501 CD2 TYR A 33 11.718 -2.124 11.839 1.00 0.00 C ATOM 502 CE1 TYR A 33 14.041 -1.313 10.501 1.00 0.00 C ATOM 503 CE2 TYR A 33 12.389 -0.963 12.243 1.00 0.00 C ATOM 504 CZ TYR A 33 13.551 -0.558 11.575 1.00 0.00 C ATOM 505 OH TYR A 33 14.213 0.585 11.974 1.00 0.00 O ATOM 0 H TYR A 33 12.343 -6.149 8.813 1.00 0.00 H new ATOM 0 HA TYR A 33 12.964 -5.121 11.599 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.377 -4.142 9.247 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.477 -4.143 10.751 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.746 -3.055 9.270 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.822 -2.437 12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.936 -1.000 9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.010 -0.380 13.070 1.00 0.00 H new ATOM 0 HH TYR A 33 13.740 0.989 12.731 1.00 0.00 H new ATOM 515 N VAL A 34 10.530 -7.050 10.498 1.00 0.00 N ATOM 516 CA VAL A 34 9.577 -8.104 10.975 1.00 0.00 C ATOM 517 C VAL A 34 10.355 -9.302 11.545 1.00 0.00 C ATOM 518 O VAL A 34 9.900 -9.969 12.456 1.00 0.00 O ATOM 519 CB VAL A 34 8.775 -8.516 9.733 1.00 0.00 C ATOM 520 CG1 VAL A 34 7.837 -9.673 10.085 1.00 0.00 C ATOM 521 CG2 VAL A 34 7.942 -7.328 9.240 1.00 0.00 C ATOM 0 H VAL A 34 10.513 -6.875 9.493 1.00 0.00 H new ATOM 0 HA VAL A 34 8.926 -7.742 11.771 1.00 0.00 H new ATOM 0 HB VAL A 34 9.466 -8.830 8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.269 -9.963 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.423 -10.523 10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.150 -9.358 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.374 -7.623 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.255 -7.014 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.604 -6.500 8.985 1.00 0.00 H new ATOM 531 N VAL A 35 11.529 -9.567 11.021 1.00 0.00 N ATOM 532 CA VAL A 35 12.344 -10.711 11.534 1.00 0.00 C ATOM 533 C VAL A 35 13.359 -10.190 12.563 1.00 0.00 C ATOM 534 O VAL A 35 14.551 -10.410 12.445 1.00 0.00 O ATOM 535 CB VAL A 35 13.056 -11.292 10.300 1.00 0.00 C ATOM 536 CG1 VAL A 35 13.714 -12.627 10.667 1.00 0.00 C ATOM 537 CG2 VAL A 35 12.041 -11.525 9.174 1.00 0.00 C ATOM 0 H VAL A 35 11.957 -9.039 10.260 1.00 0.00 H new ATOM 0 HA VAL A 35 11.740 -11.470 12.031 1.00 0.00 H new ATOM 0 HB VAL A 35 13.816 -10.587 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 14.218 -13.037 9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.441 -12.467 11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.951 -13.327 11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.552 -11.936 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.277 -12.226 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.572 -10.579 8.906 1.00 0.00 H new ATOM 547 N ARG A 36 12.881 -9.493 13.570 1.00 0.00 N ATOM 548 CA ARG A 36 13.784 -8.934 14.629 1.00 0.00 C ATOM 549 C ARG A 36 14.783 -7.933 14.013 1.00 0.00 C ATOM 550 O ARG A 36 14.354 -7.119 13.211 1.00 0.00 O ATOM 551 CB ARG A 36 14.501 -10.149 15.237 1.00 0.00 C ATOM 552 CG ARG A 36 14.695 -9.933 16.741 1.00 0.00 C ATOM 553 CD ARG A 36 16.036 -10.530 17.181 1.00 0.00 C ATOM 554 NE ARG A 36 16.962 -9.365 17.290 1.00 0.00 N ATOM 555 CZ ARG A 36 18.137 -9.407 16.720 1.00 0.00 C ATOM 556 NH1 ARG A 36 18.278 -8.995 15.488 1.00 0.00 N ATOM 557 NH2 ARG A 36 19.167 -9.861 17.383 1.00 0.00 N ATOM 558 OXT ARG A 36 15.952 -7.989 14.360 1.00 0.00 O ATOM 0 H ARG A 36 11.891 -9.286 13.704 1.00 0.00 H new ATOM 0 HA ARG A 36 13.234 -8.381 15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.918 -11.053 15.062 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.467 -10.294 14.753 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.667 -8.868 16.972 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.880 -10.400 17.293 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.942 -11.050 18.134 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.401 -11.257 16.456 1.00 0.00 H new ATOM 0 HE ARG A 36 16.677 -8.535 17.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.472 -8.641 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.194 -9.027 15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.053 -10.182 18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.085 -9.894 16.939 1.00 0.00 H new TER 572 ARG A 36