USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 69 GLN : amide:sc= -0.274 K(o=0.56,f=-0.78) USER MOD Set 1.2: A 92 SER OG : rot 40:sc= 0.836 USER MOD Set 2.1: A 73 SER OG : rot 112:sc= 0.0855 USER MOD Set 2.2: A 86 SER OG : rot -123:sc= -0.835 USER MOD Set 3.1: A 41 GLN : amide:sc= -0.0673 X(o=-0.34,f=-0.34) USER MOD Set 3.2: A 77 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0505 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 0.946 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.9!) USER MOD Single : A 39 SER OG : rot 62:sc= 0.664 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 177:sc= -0.0742 (180deg=-0.105) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0137 (180deg=-0.204) USER MOD Single : A 56 SER OG : rot 108:sc= 0.0192 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 71 THR OG1 : rot -160:sc= 0.0155 USER MOD Single : A 72 TYR OH : rot 160:sc= 0.343 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -4.02 F(o=-5!,f=-4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.6) USER MOD Single : A 84 GLN : amide:sc= -1.4! C(o=-1.4!,f=-3.2!) USER MOD Single : A 90 SER OG : rot 37:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.806 -5.233 17.244 1.00 0.00 N ATOM 2 CA GLY A 1 -10.383 -4.647 16.049 1.00 0.00 C ATOM 3 C GLY A 1 -9.529 -3.530 15.481 1.00 0.00 C ATOM 4 O GLY A 1 -8.756 -2.901 16.204 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.397 -6.161 17.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.060 -4.608 17.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.546 -5.350 17.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.512 -5.422 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.375 -4.260 16.280 1.00 0.00 H new ATOM 8 N SER A 2 -9.667 -3.283 14.182 1.00 0.00 N ATOM 9 CA SER A 2 -8.899 -2.238 13.517 1.00 0.00 C ATOM 10 C SER A 2 -9.809 -1.103 13.056 1.00 0.00 C ATOM 11 O SER A 2 -11.015 -1.288 12.894 1.00 0.00 O ATOM 12 CB SER A 2 -8.140 -2.816 12.321 1.00 0.00 C ATOM 13 OG SER A 2 -7.063 -3.633 12.746 1.00 0.00 O ATOM 0 H SER A 2 -10.304 -3.793 13.570 1.00 0.00 H new ATOM 0 HA SER A 2 -8.183 -1.837 14.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.821 -3.400 11.702 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.761 -2.004 11.700 1.00 0.00 H new ATOM 0 HG SER A 2 -6.595 -3.991 11.963 1.00 0.00 H new ATOM 19 N SER A 3 -9.222 0.070 12.847 1.00 0.00 N ATOM 20 CA SER A 3 -9.979 1.237 12.409 1.00 0.00 C ATOM 21 C SER A 3 -9.416 1.791 11.104 1.00 0.00 C ATOM 22 O SER A 3 -8.318 1.427 10.684 1.00 0.00 O ATOM 23 CB SER A 3 -9.957 2.321 13.488 1.00 0.00 C ATOM 24 OG SER A 3 -10.812 1.984 14.567 1.00 0.00 O ATOM 0 H SER A 3 -8.224 0.238 12.974 1.00 0.00 H new ATOM 0 HA SER A 3 -11.010 0.927 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.939 2.453 13.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.267 3.273 13.058 1.00 0.00 H new ATOM 0 HG SER A 3 -10.779 2.692 15.244 1.00 0.00 H new ATOM 30 N GLY A 4 -10.177 2.676 10.466 1.00 0.00 N ATOM 31 CA GLY A 4 -9.739 3.267 9.215 1.00 0.00 C ATOM 32 C GLY A 4 -10.398 4.604 8.944 1.00 0.00 C ATOM 33 O GLY A 4 -11.133 5.124 9.784 1.00 0.00 O ATOM 0 H GLY A 4 -11.089 2.994 10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.657 3.397 9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.961 2.583 8.396 1.00 0.00 H new ATOM 37 N SER A 5 -10.135 5.164 7.767 1.00 0.00 N ATOM 38 CA SER A 5 -10.704 6.452 7.389 1.00 0.00 C ATOM 39 C SER A 5 -11.951 6.264 6.531 1.00 0.00 C ATOM 40 O SER A 5 -11.894 6.355 5.305 1.00 0.00 O ATOM 41 CB SER A 5 -9.670 7.287 6.631 1.00 0.00 C ATOM 42 OG SER A 5 -8.649 7.747 7.499 1.00 0.00 O ATOM 0 H SER A 5 -9.531 4.746 7.059 1.00 0.00 H new ATOM 0 HA SER A 5 -10.988 6.978 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.230 6.689 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.161 8.138 6.159 1.00 0.00 H new ATOM 0 HG SER A 5 -8.000 8.276 6.990 1.00 0.00 H new ATOM 48 N SER A 6 -13.078 6.002 7.186 1.00 0.00 N ATOM 49 CA SER A 6 -14.340 5.798 6.484 1.00 0.00 C ATOM 50 C SER A 6 -15.177 7.073 6.488 1.00 0.00 C ATOM 51 O SER A 6 -15.582 7.560 7.542 1.00 0.00 O ATOM 52 CB SER A 6 -15.127 4.656 7.130 1.00 0.00 C ATOM 53 OG SER A 6 -15.662 5.049 8.382 1.00 0.00 O ATOM 0 H SER A 6 -13.143 5.926 8.201 1.00 0.00 H new ATOM 0 HA SER A 6 -14.114 5.536 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.935 4.346 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.476 3.792 7.264 1.00 0.00 H new ATOM 0 HG SER A 6 -15.603 6.023 8.472 1.00 0.00 H new ATOM 59 N GLY A 7 -15.432 7.610 5.298 1.00 0.00 N ATOM 60 CA GLY A 7 -16.219 8.824 5.185 1.00 0.00 C ATOM 61 C GLY A 7 -16.054 9.498 3.838 1.00 0.00 C ATOM 62 O GLY A 7 -16.969 9.485 3.013 1.00 0.00 O ATOM 0 H GLY A 7 -15.107 7.226 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.271 8.587 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.927 9.518 5.973 1.00 0.00 H new ATOM 66 N LEU A 8 -14.887 10.090 3.613 1.00 0.00 N ATOM 67 CA LEU A 8 -14.606 10.775 2.355 1.00 0.00 C ATOM 68 C LEU A 8 -13.486 10.075 1.593 1.00 0.00 C ATOM 69 O LEU A 8 -12.845 9.161 2.112 1.00 0.00 O ATOM 70 CB LEU A 8 -14.225 12.233 2.620 1.00 0.00 C ATOM 71 CG LEU A 8 -15.388 13.215 2.765 1.00 0.00 C ATOM 72 CD1 LEU A 8 -16.389 13.026 1.636 1.00 0.00 C ATOM 73 CD2 LEU A 8 -16.067 13.042 4.116 1.00 0.00 C ATOM 0 H LEU A 8 -14.120 10.110 4.285 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.508 10.747 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.627 12.272 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.587 12.575 1.805 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.992 14.229 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -17.210 13.733 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.896 13.200 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.780 12.009 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.892 13.749 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.450 12.025 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.346 13.228 4.912 1.00 0.00 H new ATOM 85 N GLU A 9 -13.254 10.512 0.359 1.00 0.00 N ATOM 86 CA GLU A 9 -12.209 9.927 -0.474 1.00 0.00 C ATOM 87 C GLU A 9 -10.952 10.792 -0.457 1.00 0.00 C ATOM 88 O GLU A 9 -10.849 11.768 -1.199 1.00 0.00 O ATOM 89 CB GLU A 9 -12.707 9.759 -1.911 1.00 0.00 C ATOM 90 CG GLU A 9 -13.395 10.995 -2.466 1.00 0.00 C ATOM 91 CD GLU A 9 -14.838 11.112 -2.013 1.00 0.00 C ATOM 92 OE1 GLU A 9 -15.685 10.353 -2.529 1.00 0.00 O ATOM 93 OE2 GLU A 9 -15.119 11.962 -1.143 1.00 0.00 O ATOM 0 H GLU A 9 -13.775 11.268 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.960 8.947 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.863 9.505 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.401 8.919 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.846 11.883 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.361 10.967 -3.555 1.00 0.00 H new ATOM 100 N GLU A 10 -10.000 10.426 0.395 1.00 0.00 N ATOM 101 CA GLU A 10 -8.751 11.169 0.510 1.00 0.00 C ATOM 102 C GLU A 10 -7.633 10.477 -0.264 1.00 0.00 C ATOM 103 O GLU A 10 -7.118 11.013 -1.246 1.00 0.00 O ATOM 104 CB GLU A 10 -8.353 11.317 1.980 1.00 0.00 C ATOM 105 CG GLU A 10 -9.236 12.280 2.756 1.00 0.00 C ATOM 106 CD GLU A 10 -8.942 13.732 2.432 1.00 0.00 C ATOM 107 OE1 GLU A 10 -8.887 14.073 1.232 1.00 0.00 O ATOM 108 OE2 GLU A 10 -8.767 14.526 3.380 1.00 0.00 O ATOM 0 H GLU A 10 -10.070 9.620 1.016 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.907 12.159 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.390 10.338 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.320 11.660 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.282 12.067 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.096 12.115 3.824 1.00 0.00 H new ATOM 115 N VAL A 11 -7.262 9.282 0.185 1.00 0.00 N ATOM 116 CA VAL A 11 -6.206 8.515 -0.464 1.00 0.00 C ATOM 117 C VAL A 11 -6.772 7.288 -1.169 1.00 0.00 C ATOM 118 O VAL A 11 -7.654 6.611 -0.642 1.00 0.00 O ATOM 119 CB VAL A 11 -5.135 8.065 0.548 1.00 0.00 C ATOM 120 CG1 VAL A 11 -4.008 7.328 -0.159 1.00 0.00 C ATOM 121 CG2 VAL A 11 -4.599 9.259 1.322 1.00 0.00 C ATOM 0 H VAL A 11 -7.678 8.824 0.996 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.744 9.173 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.596 7.378 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.261 7.018 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.409 6.449 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.545 7.988 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.844 8.923 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.153 9.972 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.416 9.739 1.861 1.00 0.00 H new ATOM 131 N GLN A 12 -6.257 7.007 -2.362 1.00 0.00 N ATOM 132 CA GLN A 12 -6.712 5.860 -3.139 1.00 0.00 C ATOM 133 C GLN A 12 -5.710 4.714 -3.055 1.00 0.00 C ATOM 134 O GLN A 12 -4.778 4.630 -3.857 1.00 0.00 O ATOM 135 CB GLN A 12 -6.928 6.260 -4.599 1.00 0.00 C ATOM 136 CG GLN A 12 -7.353 5.104 -5.490 1.00 0.00 C ATOM 137 CD GLN A 12 -8.030 5.567 -6.765 1.00 0.00 C ATOM 138 OE1 GLN A 12 -7.393 5.682 -7.813 1.00 0.00 O ATOM 139 NE2 GLN A 12 -9.327 5.837 -6.682 1.00 0.00 N ATOM 0 H GLN A 12 -5.525 7.557 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.659 5.521 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.687 7.041 -4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.005 6.689 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.478 4.506 -5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.033 4.455 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.815 5.728 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.836 6.154 -7.507 1.00 0.00 H new ATOM 148 N LEU A 13 -5.906 3.833 -2.081 1.00 0.00 N ATOM 149 CA LEU A 13 -5.018 2.690 -1.892 1.00 0.00 C ATOM 150 C LEU A 13 -5.665 1.408 -2.406 1.00 0.00 C ATOM 151 O LEU A 13 -6.356 0.709 -1.664 1.00 0.00 O ATOM 152 CB LEU A 13 -4.659 2.537 -0.413 1.00 0.00 C ATOM 153 CG LEU A 13 -3.811 1.318 -0.051 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.411 1.450 -0.632 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.749 1.140 1.459 1.00 0.00 C ATOM 0 H LEU A 13 -6.672 3.887 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.107 2.870 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.126 3.433 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.584 2.495 0.162 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.279 0.433 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.822 0.573 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.473 1.527 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.934 2.344 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.141 0.267 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.305 2.026 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.756 0.998 1.850 1.00 0.00 H new ATOM 167 N VAL A 14 -5.435 1.103 -3.679 1.00 0.00 N ATOM 168 CA VAL A 14 -5.992 -0.097 -4.291 1.00 0.00 C ATOM 169 C VAL A 14 -4.973 -1.231 -4.303 1.00 0.00 C ATOM 170 O VAL A 14 -4.017 -1.213 -5.079 1.00 0.00 O ATOM 171 CB VAL A 14 -6.460 0.174 -5.733 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.975 -1.105 -6.376 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.527 1.258 -5.752 1.00 0.00 C ATOM 0 H VAL A 14 -4.866 1.671 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.851 -0.391 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.607 0.526 -6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.301 -0.894 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.178 -1.848 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.815 -1.490 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.846 1.437 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.382 0.937 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.119 2.178 -5.334 1.00 0.00 H new ATOM 183 N VAL A 15 -5.184 -2.218 -3.438 1.00 0.00 N ATOM 184 CA VAL A 15 -4.284 -3.362 -3.350 1.00 0.00 C ATOM 185 C VAL A 15 -4.804 -4.534 -4.175 1.00 0.00 C ATOM 186 O VAL A 15 -5.969 -4.559 -4.570 1.00 0.00 O ATOM 187 CB VAL A 15 -4.098 -3.819 -1.890 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.483 -2.705 -1.057 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.426 -4.267 -1.299 1.00 0.00 C ATOM 0 H VAL A 15 -5.970 -2.248 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.322 -3.039 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.416 -4.669 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.359 -3.045 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.511 -2.436 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.138 -1.834 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.276 -4.586 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.133 -3.438 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.822 -5.098 -1.882 1.00 0.00 H new ATOM 199 N GLU A 16 -3.931 -5.504 -4.431 1.00 0.00 N ATOM 200 CA GLU A 16 -4.303 -6.679 -5.210 1.00 0.00 C ATOM 201 C GLU A 16 -3.666 -7.939 -4.631 1.00 0.00 C ATOM 202 O GLU A 16 -2.445 -8.098 -4.619 1.00 0.00 O ATOM 203 CB GLU A 16 -3.880 -6.505 -6.670 1.00 0.00 C ATOM 204 CG GLU A 16 -4.580 -5.353 -7.373 1.00 0.00 C ATOM 205 CD GLU A 16 -4.537 -5.479 -8.883 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.423 -5.475 -9.448 1.00 0.00 O ATOM 207 OE2 GLU A 16 -5.618 -5.583 -9.501 1.00 0.00 O ATOM 0 H GLU A 16 -2.963 -5.499 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.387 -6.786 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.803 -6.344 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.085 -7.429 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.619 -5.309 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.113 -4.414 -7.077 1.00 0.00 H new ATOM 214 N PRO A 17 -4.511 -8.857 -4.139 1.00 0.00 N ATOM 215 CA PRO A 17 -5.966 -8.678 -4.148 1.00 0.00 C ATOM 216 C PRO A 17 -6.423 -7.594 -3.177 1.00 0.00 C ATOM 217 O PRO A 17 -5.641 -7.112 -2.359 1.00 0.00 O ATOM 218 CB PRO A 17 -6.494 -10.046 -3.709 1.00 0.00 C ATOM 219 CG PRO A 17 -5.385 -10.643 -2.914 1.00 0.00 C ATOM 220 CD PRO A 17 -4.112 -10.139 -3.536 1.00 0.00 C ATOM 0 HA PRO A 17 -6.331 -8.358 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.401 -9.947 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.744 -10.668 -4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.452 -10.347 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.428 -11.732 -2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.327 -10.006 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.728 -10.833 -4.284 1.00 0.00 H new ATOM 228 N GLU A 18 -7.694 -7.217 -3.274 1.00 0.00 N ATOM 229 CA GLU A 18 -8.253 -6.189 -2.404 1.00 0.00 C ATOM 230 C GLU A 18 -8.072 -6.562 -0.936 1.00 0.00 C ATOM 231 O GLU A 18 -7.399 -5.859 -0.183 1.00 0.00 O ATOM 232 CB GLU A 18 -9.738 -5.983 -2.710 1.00 0.00 C ATOM 233 CG GLU A 18 -10.064 -6.013 -4.194 1.00 0.00 C ATOM 234 CD GLU A 18 -11.273 -5.168 -4.543 1.00 0.00 C ATOM 235 OE1 GLU A 18 -11.416 -4.070 -3.966 1.00 0.00 O ATOM 236 OE2 GLU A 18 -12.076 -5.605 -5.393 1.00 0.00 O ATOM 0 H GLU A 18 -8.355 -7.607 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.718 -5.258 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.315 -6.757 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.056 -5.026 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.202 -5.658 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.244 -7.043 -4.502 1.00 0.00 H new ATOM 243 N GLY A 19 -8.679 -7.675 -0.535 1.00 0.00 N ATOM 244 CA GLY A 19 -8.573 -8.123 0.842 1.00 0.00 C ATOM 245 C GLY A 19 -7.186 -7.912 1.416 1.00 0.00 C ATOM 246 O GLY A 19 -7.038 -7.530 2.576 1.00 0.00 O ATOM 0 H GLY A 19 -9.242 -8.274 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.300 -7.587 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.828 -9.181 0.897 1.00 0.00 H new ATOM 250 N GLY A 20 -6.166 -8.163 0.601 1.00 0.00 N ATOM 251 CA GLY A 20 -4.797 -7.995 1.053 1.00 0.00 C ATOM 252 C GLY A 20 -4.176 -9.296 1.521 1.00 0.00 C ATOM 253 O GLY A 20 -3.396 -9.312 2.472 1.00 0.00 O ATOM 0 H GLY A 20 -6.263 -8.480 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.198 -7.582 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.773 -7.271 1.868 1.00 0.00 H new ATOM 257 N ALA A 21 -4.525 -10.390 0.852 1.00 0.00 N ATOM 258 CA ALA A 21 -3.997 -11.702 1.206 1.00 0.00 C ATOM 259 C ALA A 21 -3.767 -12.554 -0.038 1.00 0.00 C ATOM 260 O ALA A 21 -4.637 -12.656 -0.903 1.00 0.00 O ATOM 261 CB ALA A 21 -4.941 -12.410 2.166 1.00 0.00 C ATOM 0 H ALA A 21 -5.171 -10.394 0.062 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.036 -11.559 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.534 -13.388 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.052 -11.815 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.915 -12.535 1.693 1.00 0.00 H new ATOM 267 N VAL A 22 -2.589 -13.165 -0.122 1.00 0.00 N ATOM 268 CA VAL A 22 -2.245 -14.009 -1.260 1.00 0.00 C ATOM 269 C VAL A 22 -1.468 -15.242 -0.814 1.00 0.00 C ATOM 270 O VAL A 22 -0.866 -15.255 0.260 1.00 0.00 O ATOM 271 CB VAL A 22 -1.410 -13.237 -2.299 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.240 -12.135 -2.939 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.155 -12.666 -1.655 1.00 0.00 C ATOM 0 H VAL A 22 -1.857 -13.091 0.585 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.183 -14.321 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.105 -13.930 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.633 -11.601 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.105 -12.573 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.577 -11.440 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.423 -12.124 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.436 -11.986 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.448 -13.479 -1.249 1.00 0.00 H new ATOM 283 N ALA A 23 -1.484 -16.278 -1.646 1.00 0.00 N ATOM 284 CA ALA A 23 -0.779 -17.516 -1.340 1.00 0.00 C ATOM 285 C ALA A 23 0.707 -17.259 -1.112 1.00 0.00 C ATOM 286 O ALA A 23 1.248 -16.221 -1.493 1.00 0.00 O ATOM 287 CB ALA A 23 -0.976 -18.528 -2.459 1.00 0.00 C ATOM 0 H ALA A 23 -1.978 -16.284 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.196 -17.924 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.443 -19.447 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.039 -18.743 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.587 -18.119 -3.392 1.00 0.00 H new ATOM 293 N PRO A 24 1.385 -18.226 -0.475 1.00 0.00 N ATOM 294 CA PRO A 24 2.818 -18.127 -0.182 1.00 0.00 C ATOM 295 C PRO A 24 3.674 -18.220 -1.440 1.00 0.00 C ATOM 296 O PRO A 24 4.223 -19.276 -1.752 1.00 0.00 O ATOM 297 CB PRO A 24 3.077 -19.327 0.732 1.00 0.00 C ATOM 298 CG PRO A 24 2.010 -20.307 0.382 1.00 0.00 C ATOM 299 CD PRO A 24 0.804 -19.490 0.008 1.00 0.00 C ATOM 0 HA PRO A 24 3.077 -17.168 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.069 -19.745 0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.024 -19.043 1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.322 -20.944 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.791 -20.963 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.210 -19.980 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.147 -19.330 0.862 1.00 0.00 H new ATOM 307 N GLY A 25 3.785 -17.107 -2.159 1.00 0.00 N ATOM 308 CA GLY A 25 4.577 -17.086 -3.375 1.00 0.00 C ATOM 309 C GLY A 25 3.863 -16.393 -4.519 1.00 0.00 C ATOM 310 O GLY A 25 4.100 -16.702 -5.686 1.00 0.00 O ATOM 0 H GLY A 25 3.341 -16.220 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.522 -16.580 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.817 -18.108 -3.667 1.00 0.00 H new ATOM 314 N GLY A 26 2.985 -15.452 -4.184 1.00 0.00 N ATOM 315 CA GLY A 26 2.247 -14.730 -5.204 1.00 0.00 C ATOM 316 C GLY A 26 2.834 -13.361 -5.484 1.00 0.00 C ATOM 317 O GLY A 26 4.023 -13.129 -5.262 1.00 0.00 O ATOM 0 H GLY A 26 2.772 -15.177 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.239 -15.314 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.210 -14.620 -4.888 1.00 0.00 H new ATOM 321 N THR A 27 2.000 -12.450 -5.976 1.00 0.00 N ATOM 322 CA THR A 27 2.444 -11.098 -6.290 1.00 0.00 C ATOM 323 C THR A 27 1.356 -10.076 -5.979 1.00 0.00 C ATOM 324 O THR A 27 0.290 -10.082 -6.594 1.00 0.00 O ATOM 325 CB THR A 27 2.845 -10.968 -7.772 1.00 0.00 C ATOM 326 OG1 THR A 27 3.777 -11.998 -8.119 1.00 0.00 O ATOM 327 CG2 THR A 27 3.461 -9.605 -8.048 1.00 0.00 C ATOM 0 H THR A 27 1.013 -12.624 -6.166 1.00 0.00 H new ATOM 0 HA THR A 27 3.316 -10.899 -5.666 1.00 0.00 H new ATOM 0 HB THR A 27 1.946 -11.072 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.026 -11.910 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.736 -9.536 -9.100 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.738 -8.824 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.350 -9.476 -7.431 1.00 0.00 H new ATOM 335 N VAL A 28 1.633 -9.198 -5.020 1.00 0.00 N ATOM 336 CA VAL A 28 0.678 -8.168 -4.628 1.00 0.00 C ATOM 337 C VAL A 28 1.052 -6.816 -5.226 1.00 0.00 C ATOM 338 O VAL A 28 2.226 -6.449 -5.277 1.00 0.00 O ATOM 339 CB VAL A 28 0.595 -8.033 -3.096 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.366 -6.919 -2.708 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.175 -9.353 -2.467 1.00 0.00 C ATOM 0 H VAL A 28 2.511 -9.179 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.295 -8.476 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 28 1.584 -7.774 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.411 -6.839 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.017 -5.975 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.359 -7.143 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.121 -9.239 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.803 -9.644 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.905 -10.123 -2.715 1.00 0.00 H new ATOM 351 N THR A 29 0.044 -6.077 -5.679 1.00 0.00 N ATOM 352 CA THR A 29 0.265 -4.765 -6.275 1.00 0.00 C ATOM 353 C THR A 29 -0.462 -3.677 -5.494 1.00 0.00 C ATOM 354 O THR A 29 -1.692 -3.658 -5.433 1.00 0.00 O ATOM 355 CB THR A 29 -0.203 -4.728 -7.742 1.00 0.00 C ATOM 356 OG1 THR A 29 0.448 -5.761 -8.490 1.00 0.00 O ATOM 357 CG2 THR A 29 0.094 -3.376 -8.371 1.00 0.00 C ATOM 0 H THR A 29 -0.934 -6.365 -5.644 1.00 0.00 H new ATOM 0 HA THR A 29 1.338 -4.579 -6.239 1.00 0.00 H new ATOM 0 HB THR A 29 -1.281 -4.890 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.144 -5.732 -9.421 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.245 -3.374 -9.407 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.427 -2.595 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.167 -3.188 -8.341 1.00 0.00 H new ATOM 365 N LEU A 30 0.305 -2.771 -4.897 1.00 0.00 N ATOM 366 CA LEU A 30 -0.267 -1.677 -4.120 1.00 0.00 C ATOM 367 C LEU A 30 -0.091 -0.345 -4.843 1.00 0.00 C ATOM 368 O LEU A 30 1.026 0.152 -4.991 1.00 0.00 O ATOM 369 CB LEU A 30 0.387 -1.610 -2.739 1.00 0.00 C ATOM 370 CG LEU A 30 0.264 -2.867 -1.877 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.456 -3.785 -2.097 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.139 -2.495 -0.406 1.00 0.00 C ATOM 0 H LEU A 30 1.324 -2.772 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.334 -1.867 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.446 -1.386 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.050 -0.774 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.639 -3.401 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.350 -4.674 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.500 -4.079 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.373 -3.261 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.052 -3.402 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.023 -1.938 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.748 -1.878 -0.261 1.00 0.00 H new ATOM 384 N THR A 31 -1.202 0.231 -5.290 1.00 0.00 N ATOM 385 CA THR A 31 -1.172 1.505 -5.997 1.00 0.00 C ATOM 386 C THR A 31 -1.654 2.642 -5.102 1.00 0.00 C ATOM 387 O THR A 31 -2.682 2.526 -4.434 1.00 0.00 O ATOM 388 CB THR A 31 -2.041 1.464 -7.267 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.798 0.251 -7.988 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.748 2.659 -8.162 1.00 0.00 C ATOM 0 H THR A 31 -2.135 -0.165 -5.175 1.00 0.00 H new ATOM 0 HA THR A 31 -0.135 1.684 -6.281 1.00 0.00 H new ATOM 0 HB THR A 31 -3.088 1.504 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.356 0.232 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.374 2.608 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.962 3.580 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.698 2.646 -8.455 1.00 0.00 H new ATOM 398 N CYS A 32 -0.906 3.740 -5.093 1.00 0.00 N ATOM 399 CA CYS A 32 -1.256 4.898 -4.280 1.00 0.00 C ATOM 400 C CYS A 32 -1.038 6.193 -5.056 1.00 0.00 C ATOM 401 O CYS A 32 0.099 6.595 -5.304 1.00 0.00 O ATOM 402 CB CYS A 32 -0.426 4.915 -2.994 1.00 0.00 C ATOM 403 SG CYS A 32 -1.256 5.717 -1.585 1.00 0.00 S ATOM 0 H CYS A 32 -0.053 3.852 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.312 4.823 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.178 3.889 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.515 5.429 -3.188 1.00 0.00 H new ATOM 408 N GLU A 33 -2.135 6.841 -5.436 1.00 0.00 N ATOM 409 CA GLU A 33 -2.062 8.091 -6.185 1.00 0.00 C ATOM 410 C GLU A 33 -2.974 9.148 -5.568 1.00 0.00 C ATOM 411 O GLU A 33 -4.159 8.905 -5.340 1.00 0.00 O ATOM 412 CB GLU A 33 -2.449 7.858 -7.647 1.00 0.00 C ATOM 413 CG GLU A 33 -3.793 7.172 -7.819 1.00 0.00 C ATOM 414 CD GLU A 33 -4.484 7.558 -9.113 1.00 0.00 C ATOM 415 OE1 GLU A 33 -4.167 6.954 -10.159 1.00 0.00 O ATOM 416 OE2 GLU A 33 -5.341 8.466 -9.079 1.00 0.00 O ATOM 0 H GLU A 33 -3.083 6.522 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.034 8.452 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.471 8.817 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.678 7.254 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.651 6.092 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.437 7.427 -6.977 1.00 0.00 H new ATOM 423 N VAL A 34 -2.412 10.322 -5.300 1.00 0.00 N ATOM 424 CA VAL A 34 -3.173 11.417 -4.710 1.00 0.00 C ATOM 425 C VAL A 34 -3.938 12.192 -5.778 1.00 0.00 C ATOM 426 O VAL A 34 -3.433 12.456 -6.869 1.00 0.00 O ATOM 427 CB VAL A 34 -2.257 12.389 -3.944 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.056 13.567 -3.408 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.538 11.665 -2.816 1.00 0.00 C ATOM 0 H VAL A 34 -1.432 10.539 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.881 10.970 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.507 12.774 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.391 14.243 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.520 14.100 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.830 13.204 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.895 12.367 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.271 11.250 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.932 10.859 -3.229 1.00 0.00 H new ATOM 439 N PRO A 35 -5.185 12.566 -5.457 1.00 0.00 N ATOM 440 CA PRO A 35 -6.047 13.317 -6.375 1.00 0.00 C ATOM 441 C PRO A 35 -5.565 14.749 -6.581 1.00 0.00 C ATOM 442 O PRO A 35 -5.461 15.223 -7.712 1.00 0.00 O ATOM 443 CB PRO A 35 -7.407 13.306 -5.674 1.00 0.00 C ATOM 444 CG PRO A 35 -7.087 13.139 -4.229 1.00 0.00 C ATOM 445 CD PRO A 35 -5.851 12.285 -4.174 1.00 0.00 C ATOM 0 HA PRO A 35 -6.063 12.876 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.953 14.232 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.033 12.491 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.915 14.105 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.913 12.665 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.218 12.548 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.097 11.228 -4.072 1.00 0.00 H new ATOM 453 N ALA A 36 -5.273 15.434 -5.480 1.00 0.00 N ATOM 454 CA ALA A 36 -4.799 16.812 -5.540 1.00 0.00 C ATOM 455 C ALA A 36 -3.410 16.888 -6.163 1.00 0.00 C ATOM 456 O ALA A 36 -3.129 17.775 -6.969 1.00 0.00 O ATOM 457 CB ALA A 36 -4.791 17.428 -4.149 1.00 0.00 C ATOM 0 H ALA A 36 -5.356 15.057 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.483 17.379 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.435 18.457 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.801 17.417 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.131 16.853 -3.500 1.00 0.00 H new ATOM 463 N GLN A 37 -2.544 15.954 -5.784 1.00 0.00 N ATOM 464 CA GLN A 37 -1.183 15.917 -6.305 1.00 0.00 C ATOM 465 C GLN A 37 -1.042 14.851 -7.386 1.00 0.00 C ATOM 466 O GLN A 37 -1.336 13.674 -7.174 1.00 0.00 O ATOM 467 CB GLN A 37 -0.188 15.647 -5.174 1.00 0.00 C ATOM 468 CG GLN A 37 0.279 16.906 -4.462 1.00 0.00 C ATOM 469 CD GLN A 37 1.048 17.842 -5.374 1.00 0.00 C ATOM 470 OE1 GLN A 37 0.459 18.612 -6.132 1.00 0.00 O ATOM 471 NE2 GLN A 37 2.373 17.779 -5.305 1.00 0.00 N ATOM 0 H GLN A 37 -2.761 15.213 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.965 16.889 -6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.649 14.978 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.679 15.126 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.586 17.431 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.910 16.628 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.820 17.125 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.944 18.384 -5.895 1.00 0.00 H new ATOM 480 N PRO A 38 -0.584 15.270 -8.575 1.00 0.00 N ATOM 481 CA PRO A 38 -0.394 14.367 -9.714 1.00 0.00 C ATOM 482 C PRO A 38 0.764 13.398 -9.498 1.00 0.00 C ATOM 483 O PRO A 38 0.613 12.188 -9.667 1.00 0.00 O ATOM 484 CB PRO A 38 -0.087 15.317 -10.874 1.00 0.00 C ATOM 485 CG PRO A 38 0.480 16.534 -10.227 1.00 0.00 C ATOM 486 CD PRO A 38 -0.214 16.658 -8.899 1.00 0.00 C ATOM 0 HA PRO A 38 -1.266 13.735 -9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.622 14.873 -11.572 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.987 15.553 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.558 16.440 -10.097 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.309 17.418 -10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.442 17.086 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.090 17.303 -8.963 1.00 0.00 H new ATOM 494 N SER A 39 1.920 13.938 -9.124 1.00 0.00 N ATOM 495 CA SER A 39 3.104 13.121 -8.889 1.00 0.00 C ATOM 496 C SER A 39 3.801 13.533 -7.595 1.00 0.00 C ATOM 497 O SER A 39 4.946 13.985 -7.593 1.00 0.00 O ATOM 498 CB SER A 39 4.075 13.243 -10.065 1.00 0.00 C ATOM 499 OG SER A 39 4.594 14.558 -10.165 1.00 0.00 O ATOM 0 H SER A 39 2.061 14.937 -8.977 1.00 0.00 H new ATOM 0 HA SER A 39 2.786 12.083 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.894 12.534 -9.939 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.564 12.979 -10.991 1.00 0.00 H new ATOM 0 HG SER A 39 5.097 14.774 -9.352 1.00 0.00 H new ATOM 505 N PRO A 40 3.092 13.376 -6.467 1.00 0.00 N ATOM 506 CA PRO A 40 3.621 13.725 -5.145 1.00 0.00 C ATOM 507 C PRO A 40 4.731 12.780 -4.697 1.00 0.00 C ATOM 508 O PRO A 40 5.124 11.876 -5.434 1.00 0.00 O ATOM 509 CB PRO A 40 2.402 13.591 -4.229 1.00 0.00 C ATOM 510 CG PRO A 40 1.512 12.619 -4.923 1.00 0.00 C ATOM 511 CD PRO A 40 1.721 12.844 -6.395 1.00 0.00 C ATOM 0 HA PRO A 40 4.072 14.717 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.687 13.231 -3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.906 14.551 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.761 11.595 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.470 12.779 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.619 11.918 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.995 13.548 -6.801 1.00 0.00 H new ATOM 519 N GLN A 41 5.231 12.995 -3.485 1.00 0.00 N ATOM 520 CA GLN A 41 6.296 12.162 -2.939 1.00 0.00 C ATOM 521 C GLN A 41 5.726 10.907 -2.287 1.00 0.00 C ATOM 522 O GLN A 41 5.325 10.928 -1.123 1.00 0.00 O ATOM 523 CB GLN A 41 7.119 12.952 -1.920 1.00 0.00 C ATOM 524 CG GLN A 41 8.255 13.749 -2.541 1.00 0.00 C ATOM 525 CD GLN A 41 7.761 14.908 -3.384 1.00 0.00 C ATOM 526 OE1 GLN A 41 7.077 15.804 -2.889 1.00 0.00 O ATOM 527 NE2 GLN A 41 8.105 14.896 -4.667 1.00 0.00 N ATOM 0 H GLN A 41 4.916 13.739 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 41 6.944 11.859 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.459 13.634 -1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.531 12.261 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.902 14.129 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.862 13.088 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.673 14.133 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.801 15.649 -5.284 1.00 0.00 H new ATOM 536 N ILE A 42 5.692 9.816 -3.045 1.00 0.00 N ATOM 537 CA ILE A 42 5.171 8.552 -2.540 1.00 0.00 C ATOM 538 C ILE A 42 6.233 7.797 -1.748 1.00 0.00 C ATOM 539 O ILE A 42 7.394 7.728 -2.153 1.00 0.00 O ATOM 540 CB ILE A 42 4.666 7.653 -3.685 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.724 8.438 -4.600 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.967 6.424 -3.125 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.410 8.802 -3.945 1.00 0.00 C ATOM 0 H ILE A 42 6.019 9.782 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 42 4.335 8.795 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 42 5.522 7.323 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.224 9.350 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.524 7.848 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.616 5.799 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.666 5.857 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.118 6.734 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.793 9.357 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.889 7.893 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.600 9.419 -3.067 1.00 0.00 H new ATOM 555 N HIS A 43 5.827 7.230 -0.616 1.00 0.00 N ATOM 556 CA HIS A 43 6.743 6.477 0.233 1.00 0.00 C ATOM 557 C HIS A 43 6.092 5.188 0.727 1.00 0.00 C ATOM 558 O HIS A 43 4.867 5.069 0.745 1.00 0.00 O ATOM 559 CB HIS A 43 7.184 7.328 1.424 1.00 0.00 C ATOM 560 CG HIS A 43 8.398 8.161 1.149 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.338 9.511 0.875 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.709 7.828 1.107 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.560 9.972 0.676 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.411 8.971 0.811 1.00 0.00 N ATOM 0 H HIS A 43 4.870 7.278 -0.266 1.00 0.00 H new ATOM 0 HA HIS A 43 7.618 6.216 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.363 7.983 1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.387 6.674 2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.126 6.846 1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.819 10.994 0.443 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.424 9.036 0.712 1.00 0.00 H new ATOM 573 N TRP A 44 6.919 4.228 1.125 1.00 0.00 N ATOM 574 CA TRP A 44 6.423 2.948 1.618 1.00 0.00 C ATOM 575 C TRP A 44 7.050 2.603 2.964 1.00 0.00 C ATOM 576 O TRP A 44 8.258 2.387 3.059 1.00 0.00 O ATOM 577 CB TRP A 44 6.716 1.840 0.605 1.00 0.00 C ATOM 578 CG TRP A 44 5.979 2.007 -0.689 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.510 2.375 -1.893 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.578 1.815 -0.908 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.522 2.423 -2.847 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.328 2.083 -2.268 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.510 1.441 -0.088 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.055 1.989 -2.824 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.246 1.349 -0.641 1.00 0.00 C ATOM 586 CH2 TRP A 44 2.027 1.621 -1.998 1.00 0.00 C ATOM 0 H TRP A 44 7.936 4.311 1.116 1.00 0.00 H new ATOM 0 HA TRP A 44 5.345 3.032 1.752 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.787 1.815 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.452 0.878 1.044 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.552 2.596 -2.069 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.656 2.671 -3.827 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.669 1.228 0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.885 2.199 -3.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.413 1.063 -0.016 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.028 1.539 -2.400 1.00 0.00 H new ATOM 597 N MET A 45 6.222 2.553 4.002 1.00 0.00 N ATOM 598 CA MET A 45 6.697 2.233 5.343 1.00 0.00 C ATOM 599 C MET A 45 6.284 0.820 5.743 1.00 0.00 C ATOM 600 O MET A 45 5.308 0.277 5.224 1.00 0.00 O ATOM 601 CB MET A 45 6.151 3.242 6.355 1.00 0.00 C ATOM 602 CG MET A 45 6.470 4.686 6.006 1.00 0.00 C ATOM 603 SD MET A 45 8.118 5.183 6.541 1.00 0.00 S ATOM 604 CE MET A 45 7.838 5.455 8.289 1.00 0.00 C ATOM 0 H MET A 45 5.219 2.730 3.940 1.00 0.00 H new ATOM 0 HA MET A 45 7.786 2.287 5.338 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.070 3.124 6.426 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.561 3.015 7.339 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.386 4.822 4.928 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.730 5.339 6.468 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.779 5.717 8.772 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.124 6.268 8.421 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.440 4.546 8.740 1.00 0.00 H new ATOM 614 N LYS A 46 7.032 0.229 6.669 1.00 0.00 N ATOM 615 CA LYS A 46 6.744 -1.120 7.139 1.00 0.00 C ATOM 616 C LYS A 46 6.830 -1.196 8.660 1.00 0.00 C ATOM 617 O LYS A 46 7.918 -1.311 9.225 1.00 0.00 O ATOM 618 CB LYS A 46 7.718 -2.120 6.512 1.00 0.00 C ATOM 619 CG LYS A 46 7.242 -3.561 6.586 1.00 0.00 C ATOM 620 CD LYS A 46 7.967 -4.440 5.580 1.00 0.00 C ATOM 621 CE LYS A 46 7.648 -5.911 5.794 1.00 0.00 C ATOM 622 NZ LYS A 46 8.231 -6.426 7.064 1.00 0.00 N ATOM 0 H LYS A 46 7.843 0.664 7.109 1.00 0.00 H new ATOM 0 HA LYS A 46 5.728 -1.374 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.878 -1.852 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.682 -2.038 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.404 -3.948 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.169 -3.601 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.683 -4.148 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.042 -4.283 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.567 -6.050 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.033 -6.492 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.201 -7.466 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.218 -6.108 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.682 -6.064 7.870 1.00 0.00 H new ATOM 636 N ASP A 47 5.678 -1.133 9.318 1.00 0.00 N ATOM 637 CA ASP A 47 5.623 -1.197 10.773 1.00 0.00 C ATOM 638 C ASP A 47 6.422 -0.057 11.398 1.00 0.00 C ATOM 639 O ASP A 47 7.031 -0.219 12.454 1.00 0.00 O ATOM 640 CB ASP A 47 6.159 -2.542 11.266 1.00 0.00 C ATOM 641 CG ASP A 47 5.612 -2.919 12.629 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.650 -2.067 13.541 1.00 0.00 O ATOM 643 OD2 ASP A 47 5.144 -4.067 12.783 1.00 0.00 O ATOM 0 H ASP A 47 4.769 -1.038 8.866 1.00 0.00 H new ATOM 0 HA ASP A 47 4.581 -1.096 11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.900 -3.319 10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.247 -2.501 11.313 1.00 0.00 H new ATOM 648 N GLY A 48 6.415 1.096 10.736 1.00 0.00 N ATOM 649 CA GLY A 48 7.143 2.245 11.240 1.00 0.00 C ATOM 650 C GLY A 48 8.503 2.401 10.589 1.00 0.00 C ATOM 651 O GLY A 48 9.007 3.515 10.446 1.00 0.00 O ATOM 0 H GLY A 48 5.918 1.254 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.556 3.147 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.269 2.147 12.318 1.00 0.00 H new ATOM 655 N VAL A 49 9.101 1.281 10.195 1.00 0.00 N ATOM 656 CA VAL A 49 10.412 1.298 9.557 1.00 0.00 C ATOM 657 C VAL A 49 10.287 1.171 8.043 1.00 0.00 C ATOM 658 O VAL A 49 9.671 0.242 7.521 1.00 0.00 O ATOM 659 CB VAL A 49 11.307 0.161 10.084 1.00 0.00 C ATOM 660 CG1 VAL A 49 10.615 -1.184 9.921 1.00 0.00 C ATOM 661 CG2 VAL A 49 12.651 0.167 9.371 1.00 0.00 C ATOM 0 H VAL A 49 8.698 0.351 10.306 1.00 0.00 H new ATOM 0 HA VAL A 49 10.872 2.255 9.802 1.00 0.00 H new ATOM 0 HB VAL A 49 11.484 0.325 11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.263 -1.975 10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.680 -1.182 10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.406 -1.360 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.271 -0.643 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.496 0.028 8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.151 1.120 9.545 1.00 0.00 H new ATOM 671 N PRO A 50 10.886 2.128 7.318 1.00 0.00 N ATOM 672 CA PRO A 50 10.857 2.146 5.852 1.00 0.00 C ATOM 673 C PRO A 50 11.691 1.025 5.242 1.00 0.00 C ATOM 674 O PRO A 50 12.467 0.366 5.937 1.00 0.00 O ATOM 675 CB PRO A 50 11.456 3.510 5.502 1.00 0.00 C ATOM 676 CG PRO A 50 12.316 3.857 6.668 1.00 0.00 C ATOM 677 CD PRO A 50 11.637 3.266 7.873 1.00 0.00 C ATOM 0 HA PRO A 50 9.850 1.995 5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.038 3.462 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.677 4.257 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.320 3.450 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.420 4.937 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.359 2.943 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.976 3.986 8.356 1.00 0.00 H new ATOM 685 N LEU A 51 11.529 0.813 3.941 1.00 0.00 N ATOM 686 CA LEU A 51 12.268 -0.229 3.237 1.00 0.00 C ATOM 687 C LEU A 51 13.110 0.366 2.112 1.00 0.00 C ATOM 688 O LEU A 51 12.773 1.398 1.531 1.00 0.00 O ATOM 689 CB LEU A 51 11.304 -1.272 2.671 1.00 0.00 C ATOM 690 CG LEU A 51 10.237 -1.793 3.634 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.972 -2.170 2.878 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.764 -2.983 4.422 1.00 0.00 C ATOM 0 H LEU A 51 10.892 1.349 3.352 1.00 0.00 H new ATOM 0 HA LEU A 51 12.936 -0.711 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.803 -0.842 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.887 -2.120 2.313 1.00 0.00 H new ATOM 0 HG LEU A 51 9.991 -0.997 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.224 -2.539 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.583 -1.293 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.201 -2.949 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.991 -3.340 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.039 -3.782 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.640 -2.680 4.996 1.00 0.00 H new ATOM 704 N PRO A 52 14.230 -0.300 1.795 1.00 0.00 N ATOM 705 CA PRO A 52 15.141 0.143 0.736 1.00 0.00 C ATOM 706 C PRO A 52 14.535 -0.018 -0.654 1.00 0.00 C ATOM 707 O PRO A 52 14.809 -0.994 -1.353 1.00 0.00 O ATOM 708 CB PRO A 52 16.352 -0.778 0.901 1.00 0.00 C ATOM 709 CG PRO A 52 15.810 -2.003 1.554 1.00 0.00 C ATOM 710 CD PRO A 52 14.693 -1.537 2.446 1.00 0.00 C ATOM 0 HA PRO A 52 15.380 1.203 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.806 -1.011 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.124 -0.311 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.446 -2.713 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.583 -2.513 2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.897 -2.278 2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.041 -1.350 3.462 1.00 0.00 H new ATOM 718 N LEU A 53 13.712 0.946 -1.051 1.00 0.00 N ATOM 719 CA LEU A 53 13.067 0.912 -2.359 1.00 0.00 C ATOM 720 C LEU A 53 12.726 2.320 -2.835 1.00 0.00 C ATOM 721 O LEU A 53 12.529 3.240 -2.040 1.00 0.00 O ATOM 722 CB LEU A 53 11.798 0.059 -2.302 1.00 0.00 C ATOM 723 CG LEU A 53 11.989 -1.402 -1.894 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.668 -2.008 -1.445 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.582 -2.203 -3.044 1.00 0.00 C ATOM 0 H LEU A 53 13.475 1.761 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 53 13.765 0.468 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.104 0.523 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.324 0.082 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 53 12.685 -1.438 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.824 -3.048 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.283 -1.450 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.949 -1.961 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.711 -3.241 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.911 -2.160 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.549 -1.783 -3.319 1.00 0.00 H new ATOM 737 N PRO A 54 12.651 2.495 -4.163 1.00 0.00 N ATOM 738 CA PRO A 54 12.331 3.788 -4.775 1.00 0.00 C ATOM 739 C PRO A 54 10.881 4.196 -4.541 1.00 0.00 C ATOM 740 O PRO A 54 9.960 3.384 -4.630 1.00 0.00 O ATOM 741 CB PRO A 54 12.586 3.548 -6.265 1.00 0.00 C ATOM 742 CG PRO A 54 12.406 2.080 -6.448 1.00 0.00 C ATOM 743 CD PRO A 54 12.874 1.443 -5.169 1.00 0.00 C ATOM 0 HA PRO A 54 12.926 4.598 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.887 4.113 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.590 3.863 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.362 1.837 -6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.984 1.719 -7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.308 0.540 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.924 1.155 -5.224 1.00 0.00 H new ATOM 751 N PRO A 55 10.670 5.485 -4.235 1.00 0.00 N ATOM 752 CA PRO A 55 9.333 6.030 -3.984 1.00 0.00 C ATOM 753 C PRO A 55 8.483 6.090 -5.249 1.00 0.00 C ATOM 754 O PRO A 55 8.588 7.033 -6.034 1.00 0.00 O ATOM 755 CB PRO A 55 9.617 7.441 -3.464 1.00 0.00 C ATOM 756 CG PRO A 55 10.946 7.796 -4.037 1.00 0.00 C ATOM 757 CD PRO A 55 11.721 6.509 -4.112 1.00 0.00 C ATOM 0 HA PRO A 55 8.765 5.411 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.847 8.143 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.637 7.465 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.838 8.245 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.459 8.525 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.397 6.496 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.331 6.354 -3.222 1.00 0.00 H new ATOM 765 N SER A 56 7.643 5.078 -5.440 1.00 0.00 N ATOM 766 CA SER A 56 6.778 5.015 -6.613 1.00 0.00 C ATOM 767 C SER A 56 5.329 4.762 -6.206 1.00 0.00 C ATOM 768 O SER A 56 5.044 4.208 -5.144 1.00 0.00 O ATOM 769 CB SER A 56 7.252 3.914 -7.563 1.00 0.00 C ATOM 770 OG SER A 56 7.447 2.692 -6.872 1.00 0.00 O ATOM 0 H SER A 56 7.543 4.291 -4.799 1.00 0.00 H new ATOM 0 HA SER A 56 6.831 5.975 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.518 3.773 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.184 4.218 -8.041 1.00 0.00 H new ATOM 0 HG SER A 56 6.734 2.064 -7.111 1.00 0.00 H new ATOM 776 N PRO A 57 4.392 5.177 -7.070 1.00 0.00 N ATOM 777 CA PRO A 57 2.957 5.006 -6.824 1.00 0.00 C ATOM 778 C PRO A 57 2.524 3.546 -6.905 1.00 0.00 C ATOM 779 O PRO A 57 1.500 3.160 -6.342 1.00 0.00 O ATOM 780 CB PRO A 57 2.305 5.820 -7.945 1.00 0.00 C ATOM 781 CG PRO A 57 3.320 5.841 -9.036 1.00 0.00 C ATOM 782 CD PRO A 57 4.660 5.844 -8.355 1.00 0.00 C ATOM 0 HA PRO A 57 2.674 5.331 -5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.375 5.361 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.061 6.829 -7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.214 4.971 -9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.200 6.724 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.408 5.307 -8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.035 6.857 -8.211 1.00 0.00 H new ATOM 790 N VAL A 58 3.312 2.739 -7.608 1.00 0.00 N ATOM 791 CA VAL A 58 3.011 1.320 -7.761 1.00 0.00 C ATOM 792 C VAL A 58 4.045 0.459 -7.045 1.00 0.00 C ATOM 793 O VAL A 58 5.193 0.358 -7.480 1.00 0.00 O ATOM 794 CB VAL A 58 2.960 0.914 -9.246 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.715 -0.581 -9.383 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.888 1.707 -9.979 1.00 0.00 C ATOM 0 H VAL A 58 4.163 3.043 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 58 2.031 1.154 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 58 3.924 1.143 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.682 -0.849 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.521 -1.128 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.766 -0.839 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.866 1.407 -11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.916 1.511 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.112 2.771 -9.911 1.00 0.00 H new ATOM 806 N LEU A 59 3.631 -0.161 -5.946 1.00 0.00 N ATOM 807 CA LEU A 59 4.521 -1.016 -5.168 1.00 0.00 C ATOM 808 C LEU A 59 4.116 -2.481 -5.293 1.00 0.00 C ATOM 809 O LEU A 59 3.070 -2.891 -4.788 1.00 0.00 O ATOM 810 CB LEU A 59 4.509 -0.595 -3.698 1.00 0.00 C ATOM 811 CG LEU A 59 4.969 -1.652 -2.693 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.413 -2.049 -2.960 1.00 0.00 C ATOM 813 CD2 LEU A 59 4.810 -1.140 -1.269 1.00 0.00 C ATOM 0 H LEU A 59 2.684 -0.088 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 59 5.530 -0.903 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.145 0.284 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.496 -0.290 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 59 4.342 -2.536 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.723 -2.802 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.498 -2.458 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.054 -1.172 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.142 -1.906 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.412 -0.241 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.762 -0.906 -1.081 1.00 0.00 H new ATOM 825 N ILE A 60 4.951 -3.266 -5.966 1.00 0.00 N ATOM 826 CA ILE A 60 4.680 -4.686 -6.154 1.00 0.00 C ATOM 827 C ILE A 60 5.517 -5.535 -5.203 1.00 0.00 C ATOM 828 O ILE A 60 6.712 -5.292 -5.025 1.00 0.00 O ATOM 829 CB ILE A 60 4.963 -5.126 -7.602 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.121 -4.306 -8.582 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.682 -6.612 -7.769 1.00 0.00 C ATOM 832 CD1 ILE A 60 4.794 -4.084 -9.918 1.00 0.00 C ATOM 0 H ILE A 60 5.821 -2.943 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 60 3.622 -4.837 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 60 6.016 -4.948 -7.820 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.170 -4.813 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.895 -3.339 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.887 -6.908 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.321 -7.181 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.637 -6.813 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.140 -3.496 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.732 -3.550 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.996 -5.046 -10.388 1.00 0.00 H new ATOM 844 N LEU A 61 4.884 -6.533 -4.597 1.00 0.00 N ATOM 845 CA LEU A 61 5.570 -7.421 -3.665 1.00 0.00 C ATOM 846 C LEU A 61 5.526 -8.864 -4.156 1.00 0.00 C ATOM 847 O LEU A 61 4.781 -9.698 -3.640 1.00 0.00 O ATOM 848 CB LEU A 61 4.938 -7.322 -2.276 1.00 0.00 C ATOM 849 CG LEU A 61 5.890 -7.490 -1.092 1.00 0.00 C ATOM 850 CD1 LEU A 61 6.516 -8.876 -1.102 1.00 0.00 C ATOM 851 CD2 LEU A 61 6.968 -6.416 -1.117 1.00 0.00 C ATOM 0 H LEU A 61 3.896 -6.748 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 61 6.613 -7.109 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.450 -6.351 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.158 -8.079 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 61 5.316 -7.380 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.191 -8.977 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.732 -9.630 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.075 -9.016 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.636 -6.552 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.538 -6.494 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.503 -5.432 -1.059 1.00 0.00 H new ATOM 863 N PRO A 62 6.343 -9.169 -5.175 1.00 0.00 N ATOM 864 CA PRO A 62 6.418 -10.513 -5.755 1.00 0.00 C ATOM 865 C PRO A 62 7.063 -11.519 -4.808 1.00 0.00 C ATOM 866 O PRO A 62 7.754 -11.140 -3.863 1.00 0.00 O ATOM 867 CB PRO A 62 7.288 -10.315 -6.999 1.00 0.00 C ATOM 868 CG PRO A 62 8.117 -9.115 -6.693 1.00 0.00 C ATOM 869 CD PRO A 62 7.258 -8.225 -5.838 1.00 0.00 C ATOM 0 HA PRO A 62 5.430 -10.919 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.911 -11.189 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.678 -10.158 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.031 -9.395 -6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.418 -8.605 -7.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.853 -7.667 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.716 -7.494 -6.437 1.00 0.00 H new ATOM 877 N GLU A 63 6.833 -12.802 -5.069 1.00 0.00 N ATOM 878 CA GLU A 63 7.393 -13.862 -4.238 1.00 0.00 C ATOM 879 C GLU A 63 7.136 -13.586 -2.759 1.00 0.00 C ATOM 880 O GLU A 63 8.067 -13.552 -1.953 1.00 0.00 O ATOM 881 CB GLU A 63 8.896 -13.997 -4.490 1.00 0.00 C ATOM 882 CG GLU A 63 9.236 -14.854 -5.697 1.00 0.00 C ATOM 883 CD GLU A 63 10.659 -14.646 -6.178 1.00 0.00 C ATOM 884 OE1 GLU A 63 11.113 -13.483 -6.201 1.00 0.00 O ATOM 885 OE2 GLU A 63 11.318 -15.645 -6.533 1.00 0.00 O ATOM 0 H GLU A 63 6.264 -13.132 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 63 6.902 -14.797 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.323 -13.004 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.367 -14.426 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.092 -15.904 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.545 -14.623 -6.508 1.00 0.00 H new ATOM 892 N ILE A 64 5.869 -13.391 -2.411 1.00 0.00 N ATOM 893 CA ILE A 64 5.490 -13.119 -1.030 1.00 0.00 C ATOM 894 C ILE A 64 5.607 -14.373 -0.171 1.00 0.00 C ATOM 895 O ILE A 64 5.381 -15.486 -0.645 1.00 0.00 O ATOM 896 CB ILE A 64 4.051 -12.579 -0.937 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.054 -11.049 -0.966 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.374 -13.088 0.327 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.696 -10.447 -1.248 1.00 0.00 C ATOM 0 H ILE A 64 5.087 -13.416 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 64 6.179 -12.361 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 64 3.488 -12.939 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.416 -10.676 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.758 -10.710 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.358 -12.697 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.344 -14.177 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.935 -12.754 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.774 -9.360 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.341 -10.790 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.993 -10.756 -0.474 1.00 0.00 H new ATOM 911 N GLY A 65 5.959 -14.185 1.097 1.00 0.00 N ATOM 912 CA GLY A 65 6.098 -15.310 2.004 1.00 0.00 C ATOM 913 C GLY A 65 5.718 -14.958 3.428 1.00 0.00 C ATOM 914 O GLY A 65 5.001 -13.989 3.680 1.00 0.00 O ATOM 0 H GLY A 65 6.151 -13.273 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.472 -16.132 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.129 -15.664 1.983 1.00 0.00 H new ATOM 918 N PRO A 66 6.204 -15.757 4.389 1.00 0.00 N ATOM 919 CA PRO A 66 5.923 -15.545 5.812 1.00 0.00 C ATOM 920 C PRO A 66 6.615 -14.302 6.361 1.00 0.00 C ATOM 921 O PRO A 66 6.068 -13.600 7.211 1.00 0.00 O ATOM 922 CB PRO A 66 6.483 -16.805 6.476 1.00 0.00 C ATOM 923 CG PRO A 66 7.538 -17.288 5.542 1.00 0.00 C ATOM 924 CD PRO A 66 7.065 -16.930 4.161 1.00 0.00 C ATOM 0 HA PRO A 66 4.861 -15.385 5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.896 -16.584 7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.706 -17.556 6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.497 -16.818 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.681 -18.364 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.898 -16.694 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.514 -17.750 3.700 1.00 0.00 H new ATOM 932 N GLN A 67 7.820 -14.035 5.868 1.00 0.00 N ATOM 933 CA GLN A 67 8.587 -12.876 6.310 1.00 0.00 C ATOM 934 C GLN A 67 8.019 -11.590 5.718 1.00 0.00 C ATOM 935 O GLN A 67 8.057 -10.535 6.350 1.00 0.00 O ATOM 936 CB GLN A 67 10.056 -13.028 5.913 1.00 0.00 C ATOM 937 CG GLN A 67 10.270 -13.173 4.415 1.00 0.00 C ATOM 938 CD GLN A 67 11.697 -12.873 3.998 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.193 -11.763 4.194 1.00 0.00 O ATOM 940 NE2 GLN A 67 12.365 -13.864 3.419 1.00 0.00 N ATOM 0 H GLN A 67 8.286 -14.605 5.162 1.00 0.00 H new ATOM 0 HA GLN A 67 8.516 -12.818 7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.611 -12.160 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.471 -13.901 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.012 -14.188 4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.593 -12.501 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.914 -14.768 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.329 -13.721 3.117 1.00 0.00 H new ATOM 949 N ASP A 68 7.492 -11.687 4.502 1.00 0.00 N ATOM 950 CA ASP A 68 6.916 -10.531 3.825 1.00 0.00 C ATOM 951 C ASP A 68 5.704 -10.003 4.587 1.00 0.00 C ATOM 952 O ASP A 68 5.441 -8.801 4.596 1.00 0.00 O ATOM 953 CB ASP A 68 6.514 -10.899 2.396 1.00 0.00 C ATOM 954 CG ASP A 68 7.676 -11.446 1.590 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.254 -12.473 2.005 1.00 0.00 O ATOM 956 OD2 ASP A 68 8.006 -10.849 0.545 1.00 0.00 O ATOM 0 H ASP A 68 7.452 -12.554 3.965 1.00 0.00 H new ATOM 0 HA ASP A 68 7.672 -9.746 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.715 -11.640 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.112 -10.018 1.896 1.00 0.00 H new ATOM 961 N GLN A 69 4.971 -10.911 5.224 1.00 0.00 N ATOM 962 CA GLN A 69 3.786 -10.536 5.987 1.00 0.00 C ATOM 963 C GLN A 69 4.082 -9.354 6.905 1.00 0.00 C ATOM 964 O GLN A 69 5.075 -9.353 7.631 1.00 0.00 O ATOM 965 CB GLN A 69 3.287 -11.724 6.810 1.00 0.00 C ATOM 966 CG GLN A 69 2.530 -12.757 5.991 1.00 0.00 C ATOM 967 CD GLN A 69 1.827 -13.786 6.854 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.913 -13.458 7.611 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.251 -15.040 6.745 1.00 0.00 N ATOM 0 H GLN A 69 5.177 -11.910 5.227 1.00 0.00 H new ATOM 0 HA GLN A 69 3.009 -10.240 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.139 -12.206 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.639 -11.357 7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.795 -12.251 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.225 -13.264 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.012 -15.267 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.816 -15.776 7.301 1.00 0.00 H new ATOM 978 N GLY A 70 3.212 -8.350 6.868 1.00 0.00 N ATOM 979 CA GLY A 70 3.397 -7.176 7.701 1.00 0.00 C ATOM 980 C GLY A 70 2.447 -6.052 7.339 1.00 0.00 C ATOM 981 O GLY A 70 1.437 -6.273 6.669 1.00 0.00 O ATOM 0 H GLY A 70 2.382 -8.328 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.250 -7.449 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.424 -6.824 7.605 1.00 0.00 H new ATOM 985 N THR A 71 2.768 -4.841 7.784 1.00 0.00 N ATOM 986 CA THR A 71 1.934 -3.678 7.506 1.00 0.00 C ATOM 987 C THR A 71 2.498 -2.862 6.348 1.00 0.00 C ATOM 988 O THR A 71 3.687 -2.545 6.320 1.00 0.00 O ATOM 989 CB THR A 71 1.804 -2.771 8.744 1.00 0.00 C ATOM 990 OG1 THR A 71 3.084 -2.603 9.365 1.00 0.00 O ATOM 991 CG2 THR A 71 0.823 -3.360 9.745 1.00 0.00 C ATOM 0 H THR A 71 3.600 -4.640 8.339 1.00 0.00 H new ATOM 0 HA THR A 71 0.947 -4.054 7.236 1.00 0.00 H new ATOM 0 HB THR A 71 1.428 -1.801 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.962 -2.310 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.748 -2.702 10.611 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.157 -3.460 9.279 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.174 -4.341 10.064 1.00 0.00 H new ATOM 999 N TYR A 72 1.637 -2.523 5.395 1.00 0.00 N ATOM 1000 CA TYR A 72 2.050 -1.745 4.234 1.00 0.00 C ATOM 1001 C TYR A 72 1.184 -0.498 4.078 1.00 0.00 C ATOM 1002 O TYR A 72 -0.042 -0.586 4.000 1.00 0.00 O ATOM 1003 CB TYR A 72 1.969 -2.598 2.967 1.00 0.00 C ATOM 1004 CG TYR A 72 3.051 -3.649 2.874 1.00 0.00 C ATOM 1005 CD1 TYR A 72 4.293 -3.350 2.326 1.00 0.00 C ATOM 1006 CD2 TYR A 72 2.833 -4.942 3.334 1.00 0.00 C ATOM 1007 CE1 TYR A 72 5.284 -4.308 2.239 1.00 0.00 C ATOM 1008 CE2 TYR A 72 3.819 -5.906 3.252 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.043 -5.584 2.704 1.00 0.00 C ATOM 1010 OH TYR A 72 6.028 -6.541 2.619 1.00 0.00 O ATOM 0 H TYR A 72 0.649 -2.775 5.404 1.00 0.00 H new ATOM 0 HA TYR A 72 3.083 -1.431 4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.995 -3.087 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.032 -1.946 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.486 -2.352 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.876 -5.198 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.243 -4.059 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.632 -6.906 3.615 1.00 0.00 H new ATOM 0 HH TYR A 72 5.838 -7.263 3.254 1.00 0.00 H new ATOM 1020 N SER A 73 1.831 0.662 4.032 1.00 0.00 N ATOM 1021 CA SER A 73 1.121 1.928 3.888 1.00 0.00 C ATOM 1022 C SER A 73 1.888 2.880 2.975 1.00 0.00 C ATOM 1023 O SER A 73 3.100 2.751 2.801 1.00 0.00 O ATOM 1024 CB SER A 73 0.910 2.576 5.258 1.00 0.00 C ATOM 1025 OG SER A 73 0.480 3.920 5.125 1.00 0.00 O ATOM 0 H SER A 73 2.845 0.752 4.092 1.00 0.00 H new ATOM 0 HA SER A 73 0.150 1.723 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.170 2.008 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.839 2.543 5.827 1.00 0.00 H new ATOM 0 HG SER A 73 -0.444 4.001 5.442 1.00 0.00 H new ATOM 1031 N CYS A 74 1.172 3.836 2.393 1.00 0.00 N ATOM 1032 CA CYS A 74 1.782 4.811 1.497 1.00 0.00 C ATOM 1033 C CYS A 74 1.627 6.226 2.046 1.00 0.00 C ATOM 1034 O CYS A 74 0.635 6.544 2.702 1.00 0.00 O ATOM 1035 CB CYS A 74 1.153 4.719 0.106 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.664 4.852 0.102 1.00 0.00 S ATOM 0 H CYS A 74 0.168 3.956 2.526 1.00 0.00 H new ATOM 0 HA CYS A 74 2.846 4.584 1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.566 5.509 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.438 3.770 -0.348 1.00 0.00 H new ATOM 1041 N VAL A 75 2.614 7.073 1.772 1.00 0.00 N ATOM 1042 CA VAL A 75 2.587 8.454 2.236 1.00 0.00 C ATOM 1043 C VAL A 75 2.756 9.428 1.075 1.00 0.00 C ATOM 1044 O VAL A 75 3.417 9.119 0.084 1.00 0.00 O ATOM 1045 CB VAL A 75 3.692 8.718 3.277 1.00 0.00 C ATOM 1046 CG1 VAL A 75 3.710 10.186 3.677 1.00 0.00 C ATOM 1047 CG2 VAL A 75 3.498 7.828 4.495 1.00 0.00 C ATOM 0 H VAL A 75 3.443 6.826 1.231 1.00 0.00 H new ATOM 0 HA VAL A 75 1.614 8.612 2.701 1.00 0.00 H new ATOM 0 HB VAL A 75 4.656 8.477 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.497 10.353 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.900 10.801 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.746 10.457 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.287 8.027 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.528 8.036 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.540 6.782 4.192 1.00 0.00 H new ATOM 1057 N ALA A 76 2.154 10.605 1.205 1.00 0.00 N ATOM 1058 CA ALA A 76 2.239 11.626 0.167 1.00 0.00 C ATOM 1059 C ALA A 76 2.361 13.018 0.776 1.00 0.00 C ATOM 1060 O ALA A 76 1.525 13.431 1.581 1.00 0.00 O ATOM 1061 CB ALA A 76 1.025 11.551 -0.748 1.00 0.00 C ATOM 0 H ALA A 76 1.602 10.876 2.019 1.00 0.00 H new ATOM 0 HA ALA A 76 3.136 11.437 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.102 12.319 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.984 10.568 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.119 11.712 -0.164 1.00 0.00 H new ATOM 1067 N THR A 77 3.407 13.740 0.387 1.00 0.00 N ATOM 1068 CA THR A 77 3.639 15.086 0.896 1.00 0.00 C ATOM 1069 C THR A 77 3.486 16.125 -0.209 1.00 0.00 C ATOM 1070 O THR A 77 3.237 15.784 -1.366 1.00 0.00 O ATOM 1071 CB THR A 77 5.043 15.218 1.517 1.00 0.00 C ATOM 1072 OG1 THR A 77 6.044 15.050 0.507 1.00 0.00 O ATOM 1073 CG2 THR A 77 5.247 14.186 2.617 1.00 0.00 C ATOM 0 H THR A 77 4.107 13.415 -0.279 1.00 0.00 H new ATOM 0 HA THR A 77 2.890 15.266 1.667 1.00 0.00 H new ATOM 0 HB THR A 77 5.131 16.213 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.933 15.137 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.245 14.298 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.502 14.335 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.140 13.184 2.201 1.00 0.00 H new ATOM 1081 N HIS A 78 3.636 17.395 0.155 1.00 0.00 N ATOM 1082 CA HIS A 78 3.515 18.485 -0.807 1.00 0.00 C ATOM 1083 C HIS A 78 3.906 19.816 -0.172 1.00 0.00 C ATOM 1084 O HIS A 78 4.351 19.861 0.975 1.00 0.00 O ATOM 1085 CB HIS A 78 2.086 18.563 -1.345 1.00 0.00 C ATOM 1086 CG HIS A 78 1.039 18.429 -0.283 1.00 0.00 C ATOM 1087 ND1 HIS A 78 0.262 19.361 0.318 1.00 0.00 N flip ATOM 1088 CD2 HIS A 78 0.691 17.220 0.283 1.00 0.00 C flip ATOM 1089 CE1 HIS A 78 -0.533 18.705 1.225 1.00 0.00 C flip ATOM 1090 NE2 HIS A 78 -0.255 17.414 1.185 1.00 0.00 N flip ATOM 0 H HIS A 78 3.841 17.694 1.108 1.00 0.00 H new ATOM 0 HA HIS A 78 4.196 18.284 -1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.951 19.515 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.942 17.777 -2.087 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.124 16.264 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.267 19.169 1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.695 16.691 1.753 1.00 0.00 H new ATOM 1099 N SER A 79 3.736 20.898 -0.925 1.00 0.00 N ATOM 1100 CA SER A 79 4.075 22.230 -0.437 1.00 0.00 C ATOM 1101 C SER A 79 3.553 22.438 0.982 1.00 0.00 C ATOM 1102 O SER A 79 4.255 22.968 1.842 1.00 0.00 O ATOM 1103 CB SER A 79 3.498 23.299 -1.367 1.00 0.00 C ATOM 1104 OG SER A 79 2.092 23.167 -1.484 1.00 0.00 O ATOM 0 H SER A 79 3.366 20.879 -1.875 1.00 0.00 H new ATOM 0 HA SER A 79 5.161 22.319 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.743 24.290 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.958 23.215 -2.352 1.00 0.00 H new ATOM 0 HG SER A 79 1.747 23.862 -2.082 1.00 0.00 H new ATOM 1110 N SER A 80 2.314 22.016 1.217 1.00 0.00 N ATOM 1111 CA SER A 80 1.695 22.159 2.530 1.00 0.00 C ATOM 1112 C SER A 80 2.239 21.118 3.503 1.00 0.00 C ATOM 1113 O SER A 80 2.118 21.266 4.720 1.00 0.00 O ATOM 1114 CB SER A 80 0.175 22.023 2.417 1.00 0.00 C ATOM 1115 OG SER A 80 -0.371 23.055 1.614 1.00 0.00 O ATOM 0 H SER A 80 1.720 21.573 0.516 1.00 0.00 H new ATOM 0 HA SER A 80 1.937 23.150 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.076 21.053 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.271 22.057 3.411 1.00 0.00 H new ATOM 0 HG SER A 80 -1.343 22.945 1.556 1.00 0.00 H new ATOM 1121 N HIS A 81 2.840 20.065 2.959 1.00 0.00 N ATOM 1122 CA HIS A 81 3.405 18.998 3.779 1.00 0.00 C ATOM 1123 C HIS A 81 2.307 18.256 4.535 1.00 0.00 C ATOM 1124 O HIS A 81 2.360 18.128 5.758 1.00 0.00 O ATOM 1125 CB HIS A 81 4.424 19.569 4.765 1.00 0.00 C ATOM 1126 CG HIS A 81 5.039 18.535 5.657 1.00 0.00 C ATOM 1127 ND1 HIS A 81 5.334 18.765 6.984 1.00 0.00 N ATOM 1128 CD2 HIS A 81 5.414 17.259 5.405 1.00 0.00 C ATOM 1129 CE1 HIS A 81 5.865 17.675 7.510 1.00 0.00 C ATOM 1130 NE2 HIS A 81 5.924 16.747 6.572 1.00 0.00 N ATOM 0 H HIS A 81 2.949 19.927 1.954 1.00 0.00 H new ATOM 0 HA HIS A 81 3.908 18.292 3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.214 20.072 4.208 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.937 20.325 5.381 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.328 16.740 4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.194 17.562 8.532 1.00 0.00 H new ATOM 0 HE2 HIS A 81 6.289 15.803 6.695 1.00 0.00 H new ATOM 1139 N GLY A 82 1.313 17.769 3.799 1.00 0.00 N ATOM 1140 CA GLY A 82 0.217 17.047 4.418 1.00 0.00 C ATOM 1141 C GLY A 82 0.303 15.551 4.184 1.00 0.00 C ATOM 1142 O GLY A 82 -0.151 15.034 3.163 1.00 0.00 O ATOM 0 H GLY A 82 1.247 17.862 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.215 17.245 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.728 17.420 4.024 1.00 0.00 H new ATOM 1146 N PRO A 83 0.899 14.831 5.146 1.00 0.00 N ATOM 1147 CA PRO A 83 1.058 13.377 5.062 1.00 0.00 C ATOM 1148 C PRO A 83 -0.270 12.639 5.197 1.00 0.00 C ATOM 1149 O PRO A 83 -0.698 12.312 6.304 1.00 0.00 O ATOM 1150 CB PRO A 83 1.973 13.051 6.245 1.00 0.00 C ATOM 1151 CG PRO A 83 1.745 14.158 7.216 1.00 0.00 C ATOM 1152 CD PRO A 83 1.463 15.382 6.390 1.00 0.00 C ATOM 0 HA PRO A 83 1.459 13.066 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.726 12.084 6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.017 13.004 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.908 13.932 7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.619 14.308 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.761 16.050 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.370 15.957 6.200 1.00 0.00 H new ATOM 1160 N GLN A 84 -0.916 12.381 4.065 1.00 0.00 N ATOM 1161 CA GLN A 84 -2.196 11.683 4.059 1.00 0.00 C ATOM 1162 C GLN A 84 -1.993 10.174 4.149 1.00 0.00 C ATOM 1163 O GLN A 84 -2.689 9.404 3.487 1.00 0.00 O ATOM 1164 CB GLN A 84 -2.984 12.029 2.794 1.00 0.00 C ATOM 1165 CG GLN A 84 -3.873 13.252 2.946 1.00 0.00 C ATOM 1166 CD GLN A 84 -4.854 13.121 4.094 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -5.975 12.643 3.916 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -4.438 13.546 5.281 1.00 0.00 N ATOM 0 H GLN A 84 -0.574 12.645 3.141 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.763 12.008 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.285 12.198 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.601 11.175 2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.250 14.132 3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.424 13.414 2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.501 13.935 5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.056 13.483 6.090 1.00 0.00 H new ATOM 1177 N GLU A 85 -1.035 9.759 4.971 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.740 8.341 5.146 1.00 0.00 C ATOM 1179 C GLU A 85 -2.024 7.517 5.170 1.00 0.00 C ATOM 1180 O GLU A 85 -2.906 7.747 5.997 1.00 0.00 O ATOM 1181 CB GLU A 85 0.047 8.117 6.439 1.00 0.00 C ATOM 1182 CG GLU A 85 0.667 6.733 6.542 1.00 0.00 C ATOM 1183 CD GLU A 85 1.741 6.653 7.609 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.726 7.415 7.518 1.00 0.00 O ATOM 1185 OE2 GLU A 85 1.597 5.828 8.535 1.00 0.00 O ATOM 0 H GLU A 85 -0.450 10.383 5.526 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.135 8.015 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.836 8.866 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.616 8.273 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.114 6.005 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.096 6.459 5.578 1.00 0.00 H new ATOM 1192 N SER A 86 -2.122 6.557 4.256 1.00 0.00 N ATOM 1193 CA SER A 86 -3.299 5.702 4.169 1.00 0.00 C ATOM 1194 C SER A 86 -3.328 4.698 5.318 1.00 0.00 C ATOM 1195 O SER A 86 -2.401 4.636 6.126 1.00 0.00 O ATOM 1196 CB SER A 86 -3.320 4.962 2.830 1.00 0.00 C ATOM 1197 OG SER A 86 -2.460 3.835 2.857 1.00 0.00 O ATOM 0 H SER A 86 -1.400 6.352 3.565 1.00 0.00 H new ATOM 0 HA SER A 86 -4.183 6.335 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.337 4.642 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.013 5.638 2.032 1.00 0.00 H new ATOM 0 HG SER A 86 -1.807 3.905 2.130 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.399 3.915 5.384 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.551 2.915 6.434 1.00 0.00 C ATOM 1205 C ARG A 87 -3.548 1.779 6.252 1.00 0.00 C ATOM 1206 O ARG A 87 -3.209 1.411 5.128 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.975 2.356 6.435 1.00 0.00 C ATOM 1208 CG ARG A 87 -6.331 1.595 5.168 1.00 0.00 C ATOM 1209 CD ARG A 87 -5.991 0.118 5.291 1.00 0.00 C ATOM 1210 NE ARG A 87 -6.684 -0.512 6.412 1.00 0.00 N ATOM 1211 CZ ARG A 87 -6.705 -1.823 6.619 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -6.074 -2.640 5.786 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -7.357 -2.321 7.662 1.00 0.00 N ATOM 0 H ARG A 87 -5.175 3.954 4.723 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.358 3.399 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.096 1.694 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.679 3.178 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.395 1.708 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.794 2.024 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.258 -0.394 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.915 0.003 5.420 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.179 0.088 7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.571 -2.261 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.092 -3.647 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.843 -1.696 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.373 -3.329 7.820 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.076 1.229 7.367 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.113 0.135 7.330 1.00 0.00 C ATOM 1229 C ALA A 88 -2.767 -1.156 6.849 1.00 0.00 C ATOM 1230 O ALA A 88 -3.764 -1.606 7.414 1.00 0.00 O ATOM 1231 CB ALA A 88 -1.491 -0.066 8.704 1.00 0.00 C ATOM 0 H ALA A 88 -3.345 1.523 8.306 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.327 0.399 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.774 -0.886 8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.981 0.847 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.272 -0.304 9.426 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.200 -1.746 5.802 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.728 -2.986 5.245 1.00 0.00 C ATOM 1239 C VAL A 89 -1.877 -4.181 5.659 1.00 0.00 C ATOM 1240 O VAL A 89 -0.694 -4.259 5.326 1.00 0.00 O ATOM 1241 CB VAL A 89 -2.795 -2.926 3.707 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -3.276 -4.254 3.142 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.698 -1.787 3.257 1.00 0.00 C ATOM 0 H VAL A 89 -1.375 -1.386 5.322 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.736 -3.107 5.641 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.792 -2.737 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.317 -4.193 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.586 -5.045 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.270 -4.476 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.734 -1.759 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.703 -1.943 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.305 -0.842 3.631 1.00 0.00 H new ATOM 1253 N SER A 90 -2.487 -5.111 6.388 1.00 0.00 N ATOM 1254 CA SER A 90 -1.784 -6.301 6.851 1.00 0.00 C ATOM 1255 C SER A 90 -1.803 -7.393 5.785 1.00 0.00 C ATOM 1256 O SER A 90 -2.840 -8.004 5.526 1.00 0.00 O ATOM 1257 CB SER A 90 -2.417 -6.823 8.142 1.00 0.00 C ATOM 1258 OG SER A 90 -3.765 -7.206 7.931 1.00 0.00 O ATOM 0 H SER A 90 -3.466 -5.063 6.670 1.00 0.00 H new ATOM 0 HA SER A 90 -0.747 -6.027 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.847 -7.676 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.371 -6.052 8.911 1.00 0.00 H new ATOM 0 HG SER A 90 -3.855 -7.611 7.043 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.649 -7.631 5.171 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.532 -8.649 4.134 1.00 0.00 C ATOM 1266 C ILE A 91 -0.264 -10.022 4.740 1.00 0.00 C ATOM 1267 O ILE A 91 0.821 -10.283 5.258 1.00 0.00 O ATOM 1268 CB ILE A 91 0.594 -8.311 3.139 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.285 -7.002 2.410 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.779 -9.447 2.143 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.002 -7.042 1.615 1.00 0.00 C ATOM 0 H ILE A 91 0.218 -7.133 5.373 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.483 -8.669 3.602 1.00 0.00 H new ATOM 0 HB ILE A 91 1.523 -8.185 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.227 -6.194 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.110 -6.766 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.578 -9.194 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.040 -10.361 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.148 -9.602 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.157 -6.081 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.940 -7.827 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.837 -7.247 2.285 1.00 0.00 H new ATOM 1283 N SER A 92 -1.262 -10.898 4.670 1.00 0.00 N ATOM 1284 CA SER A 92 -1.136 -12.245 5.213 1.00 0.00 C ATOM 1285 C SER A 92 -1.216 -13.289 4.103 1.00 0.00 C ATOM 1286 O SER A 92 -1.688 -13.003 3.002 1.00 0.00 O ATOM 1287 CB SER A 92 -2.229 -12.504 6.252 1.00 0.00 C ATOM 1288 OG SER A 92 -1.907 -13.619 7.065 1.00 0.00 O ATOM 0 H SER A 92 -2.166 -10.698 4.243 1.00 0.00 H new ATOM 0 HA SER A 92 -0.161 -12.326 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.358 -11.620 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.179 -12.680 5.748 1.00 0.00 H new ATOM 0 HG SER A 92 -0.950 -13.605 7.275 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.753 -14.498 4.401 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.773 -15.584 3.429 1.00 0.00 C ATOM 1296 C ILE A 93 -2.053 -16.405 3.549 1.00 0.00 C ATOM 1297 O ILE A 93 -2.511 -16.701 4.653 1.00 0.00 O ATOM 1298 CB ILE A 93 0.440 -16.517 3.602 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.741 -15.745 3.374 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.342 -17.696 2.646 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.984 -16.559 3.656 1.00 0.00 C ATOM 0 H ILE A 93 -0.359 -14.750 5.308 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.730 -15.125 2.441 1.00 0.00 H new ATOM 0 HB ILE A 93 0.442 -16.901 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.771 -15.397 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.745 -14.859 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.206 -18.346 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.570 -18.257 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.319 -17.331 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.868 -15.948 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.977 -16.885 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.004 -17.431 3.002 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.624 -16.771 2.406 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.849 -17.560 2.383 1.00 0.00 C ATOM 1315 C ILE A 94 -3.540 -19.053 2.364 1.00 0.00 C ATOM 1316 O ILE A 94 -2.619 -19.497 1.679 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.720 -17.211 1.162 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.044 -15.716 1.150 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.999 -18.035 1.172 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.629 -15.235 -0.159 1.00 0.00 C ATOM 0 H ILE A 94 -2.258 -16.534 1.484 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.399 -17.317 3.292 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.163 -17.450 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.747 -15.498 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.134 -15.154 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.605 -17.777 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.749 -19.095 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.561 -17.823 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.834 -14.166 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.919 -15.421 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.556 -15.771 -0.362 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.318 -19.823 3.118 1.00 0.00 N ATOM 1333 CA GLU A 95 -4.128 -21.267 3.186 1.00 0.00 C ATOM 1334 C GLU A 95 -5.060 -21.985 2.214 1.00 0.00 C ATOM 1335 O GLU A 95 -6.201 -21.580 1.995 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.374 -21.770 4.610 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.799 -21.560 5.092 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.783 -22.508 4.435 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -6.480 -23.717 4.356 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -7.856 -22.041 4.000 1.00 0.00 O ATOM 0 H GLU A 95 -5.086 -19.471 3.690 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.098 -21.485 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.136 -22.833 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.691 -21.260 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.837 -21.695 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.100 -20.532 4.889 1.00 0.00 H new ATOM 1347 N PRO A 96 -4.562 -23.077 1.615 1.00 0.00 N ATOM 1348 CA PRO A 96 -5.332 -23.875 0.656 1.00 0.00 C ATOM 1349 C PRO A 96 -6.472 -24.639 1.321 1.00 0.00 C ATOM 1350 O PRO A 96 -7.475 -24.958 0.682 1.00 0.00 O ATOM 1351 CB PRO A 96 -4.295 -24.848 0.090 1.00 0.00 C ATOM 1352 CG PRO A 96 -3.261 -24.962 1.157 1.00 0.00 C ATOM 1353 CD PRO A 96 -3.209 -23.618 1.829 1.00 0.00 C ATOM 0 HA PRO A 96 -5.810 -23.253 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.742 -25.817 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.866 -24.473 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.520 -25.745 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.291 -25.225 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.975 -23.708 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.446 -22.977 1.388 1.00 0.00 H new TER 1361 PRO A 96