USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 816 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 41 GLN : amide:sc= -4.1! K(o=-6!,f=-4.7) USER MOD Set 1.2: A 75 THR OG1 : rot -150:sc= -1.91 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -4:sc= 0.424 USER MOD Single : A 3 SER OG : rot 87:sc= 1.23 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 6 SER OG : rot 61:sc= 1.15 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 18 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.53) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.072 K(o=-0.072,f=-5!) USER MOD Single : A 54 THR OG1 : rot 118:sc= -1.75 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.146 USER MOD Single : A 64 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.0017) USER MOD Single : A 69 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.12) USER MOD Single : A 70 THR OG1 : rot -15:sc= 1.06 USER MOD Single : A 71 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.1!) USER MOD Single : A 72 TYR OH : rot 108:sc= -0.576 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.965 K(o=-0.96,f=0) USER MOD Single : A 85 THR OG1 : rot 71:sc= -1.63 USER MOD Single : A 86 SER OG : rot 23:sc= 0.536 USER MOD Single : A 89 SER OG : rot 59:sc= 0.345 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 155:sc= 0.296 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 51:sc= 0.672 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.543 -12.050 12.420 1.00 0.00 N ATOM 2 CA GLY A 1 -8.804 -10.985 13.072 1.00 0.00 C ATOM 3 C GLY A 1 -7.401 -10.831 12.519 1.00 0.00 C ATOM 4 O GLY A 1 -6.434 -10.755 13.277 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.495 -12.115 12.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.620 -11.847 11.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.044 -12.952 12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.344 -10.046 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.750 -11.187 14.142 1.00 0.00 H new ATOM 8 N SER A 2 -7.289 -10.785 11.196 1.00 0.00 N ATOM 9 CA SER A 2 -5.994 -10.643 10.542 1.00 0.00 C ATOM 10 C SER A 2 -4.934 -11.481 11.252 1.00 0.00 C ATOM 11 O SER A 2 -3.794 -11.048 11.419 1.00 0.00 O ATOM 12 CB SER A 2 -5.568 -9.174 10.521 1.00 0.00 C ATOM 13 OG SER A 2 -5.292 -8.703 11.829 1.00 0.00 O ATOM 0 H SER A 2 -8.080 -10.844 10.555 1.00 0.00 H new ATOM 0 HA SER A 2 -6.090 -11.001 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.683 -9.058 9.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.357 -8.570 10.073 1.00 0.00 H new ATOM 0 HG SER A 2 -5.499 -9.405 12.480 1.00 0.00 H new ATOM 19 N SER A 3 -5.318 -12.685 11.665 1.00 0.00 N ATOM 20 CA SER A 3 -4.404 -13.584 12.358 1.00 0.00 C ATOM 21 C SER A 3 -4.731 -15.040 12.045 1.00 0.00 C ATOM 22 O SER A 3 -5.883 -15.462 12.133 1.00 0.00 O ATOM 23 CB SER A 3 -4.471 -13.347 13.869 1.00 0.00 C ATOM 24 OG SER A 3 -4.256 -11.983 14.182 1.00 0.00 O ATOM 0 H SER A 3 -6.257 -13.060 11.531 1.00 0.00 H new ATOM 0 HA SER A 3 -3.393 -13.375 12.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.444 -13.661 14.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.722 -13.960 14.370 1.00 0.00 H new ATOM 0 HG SER A 3 -5.109 -11.501 14.148 1.00 0.00 H new ATOM 30 N GLY A 4 -3.706 -15.804 11.678 1.00 0.00 N ATOM 31 CA GLY A 4 -3.904 -17.205 11.357 1.00 0.00 C ATOM 32 C GLY A 4 -2.687 -18.051 11.675 1.00 0.00 C ATOM 33 O GLY A 4 -1.879 -17.690 12.531 1.00 0.00 O ATOM 0 H GLY A 4 -2.743 -15.478 11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.761 -17.584 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.143 -17.302 10.298 1.00 0.00 H new ATOM 37 N SER A 5 -2.556 -19.180 10.987 1.00 0.00 N ATOM 38 CA SER A 5 -1.432 -20.082 11.205 1.00 0.00 C ATOM 39 C SER A 5 -0.105 -19.351 11.024 1.00 0.00 C ATOM 40 O SER A 5 -0.076 -18.143 10.790 1.00 0.00 O ATOM 41 CB SER A 5 -1.508 -21.269 10.242 1.00 0.00 C ATOM 42 OG SER A 5 -0.657 -22.322 10.662 1.00 0.00 O ATOM 0 H SER A 5 -3.215 -19.492 10.273 1.00 0.00 H new ATOM 0 HA SER A 5 -1.488 -20.450 12.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.535 -21.629 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.226 -20.947 9.240 1.00 0.00 H new ATOM 0 HG SER A 5 -0.725 -23.069 10.031 1.00 0.00 H new ATOM 48 N SER A 6 0.992 -20.093 11.135 1.00 0.00 N ATOM 49 CA SER A 6 2.324 -19.515 10.986 1.00 0.00 C ATOM 50 C SER A 6 2.891 -19.805 9.600 1.00 0.00 C ATOM 51 O SER A 6 3.899 -20.497 9.461 1.00 0.00 O ATOM 52 CB SER A 6 3.264 -20.067 12.060 1.00 0.00 C ATOM 53 OG SER A 6 3.640 -21.402 11.771 1.00 0.00 O ATOM 0 H SER A 6 0.986 -21.095 11.327 1.00 0.00 H new ATOM 0 HA SER A 6 2.240 -18.435 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.154 -19.441 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.774 -20.026 13.033 1.00 0.00 H new ATOM 0 HG SER A 6 4.119 -21.429 10.917 1.00 0.00 H new ATOM 59 N GLY A 7 2.235 -19.269 8.575 1.00 0.00 N ATOM 60 CA GLY A 7 2.687 -19.481 7.213 1.00 0.00 C ATOM 61 C GLY A 7 1.552 -19.840 6.274 1.00 0.00 C ATOM 62 O GLY A 7 1.400 -20.990 5.861 1.00 0.00 O ATOM 0 H GLY A 7 1.399 -18.692 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.181 -18.578 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.431 -20.278 7.200 1.00 0.00 H new ATOM 66 N PRO A 8 0.729 -18.840 5.925 1.00 0.00 N ATOM 67 CA PRO A 8 -0.413 -19.033 5.026 1.00 0.00 C ATOM 68 C PRO A 8 0.019 -19.310 3.590 1.00 0.00 C ATOM 69 O PRO A 8 1.182 -19.620 3.332 1.00 0.00 O ATOM 70 CB PRO A 8 -1.160 -17.699 5.112 1.00 0.00 C ATOM 71 CG PRO A 8 -0.119 -16.706 5.500 1.00 0.00 C ATOM 72 CD PRO A 8 0.850 -17.444 6.380 1.00 0.00 C ATOM 0 HA PRO A 8 -1.016 -19.895 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.618 -17.440 4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.962 -17.741 5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.382 -16.302 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.562 -15.863 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.867 -17.069 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.594 -17.341 7.434 1.00 0.00 H new ATOM 80 N ASP A 9 -0.923 -19.195 2.661 1.00 0.00 N ATOM 81 CA ASP A 9 -0.640 -19.432 1.251 1.00 0.00 C ATOM 82 C ASP A 9 -0.506 -18.113 0.494 1.00 0.00 C ATOM 83 O ASP A 9 -0.007 -18.079 -0.629 1.00 0.00 O ATOM 84 CB ASP A 9 -1.742 -20.286 0.623 1.00 0.00 C ATOM 85 CG ASP A 9 -2.212 -21.393 1.545 1.00 0.00 C ATOM 86 OD1 ASP A 9 -1.635 -22.498 1.486 1.00 0.00 O ATOM 87 OD2 ASP A 9 -3.158 -21.155 2.324 1.00 0.00 O ATOM 0 H ASP A 9 -1.890 -18.939 2.859 1.00 0.00 H new ATOM 0 HA ASP A 9 0.307 -19.968 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.588 -19.649 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.375 -20.722 -0.306 1.00 0.00 H new ATOM 92 N GLY A 10 -0.960 -17.031 1.119 1.00 0.00 N ATOM 93 CA GLY A 10 -0.883 -15.725 0.490 1.00 0.00 C ATOM 94 C GLY A 10 -0.017 -14.755 1.269 1.00 0.00 C ATOM 95 O GLY A 10 0.545 -15.091 2.311 1.00 0.00 O ATOM 0 H GLY A 10 -1.379 -17.035 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.484 -15.834 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.887 -15.313 0.392 1.00 0.00 H new ATOM 99 N PRO A 11 0.101 -13.520 0.759 1.00 0.00 N ATOM 100 CA PRO A 11 0.904 -12.473 1.398 1.00 0.00 C ATOM 101 C PRO A 11 0.284 -11.982 2.703 1.00 0.00 C ATOM 102 O PRO A 11 -0.929 -11.791 2.793 1.00 0.00 O ATOM 103 CB PRO A 11 0.918 -11.352 0.356 1.00 0.00 C ATOM 104 CG PRO A 11 -0.320 -11.563 -0.445 1.00 0.00 C ATOM 105 CD PRO A 11 -0.541 -13.049 -0.479 1.00 0.00 C ATOM 0 HA PRO A 11 1.897 -12.830 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.920 -10.371 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.808 -11.405 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.170 -11.052 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.207 -11.162 -1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.602 -13.297 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.090 -13.502 -1.362 1.00 0.00 H new ATOM 113 N THR A 12 1.125 -11.777 3.712 1.00 0.00 N ATOM 114 CA THR A 12 0.660 -11.309 5.011 1.00 0.00 C ATOM 115 C THR A 12 1.646 -10.322 5.625 1.00 0.00 C ATOM 116 O THR A 12 2.703 -10.051 5.055 1.00 0.00 O ATOM 117 CB THR A 12 0.448 -12.481 5.988 1.00 0.00 C ATOM 118 OG1 THR A 12 1.539 -13.403 5.891 1.00 0.00 O ATOM 119 CG2 THR A 12 -0.859 -13.201 5.693 1.00 0.00 C ATOM 0 H THR A 12 2.132 -11.928 3.654 1.00 0.00 H new ATOM 0 HA THR A 12 -0.294 -10.809 4.844 1.00 0.00 H new ATOM 0 HB THR A 12 0.402 -12.078 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.398 -14.144 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.987 -14.025 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.690 -12.503 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.838 -13.592 4.676 1.00 0.00 H new ATOM 127 N GLN A 13 1.295 -9.790 6.791 1.00 0.00 N ATOM 128 CA GLN A 13 2.151 -8.833 7.482 1.00 0.00 C ATOM 129 C GLN A 13 2.538 -7.683 6.559 1.00 0.00 C ATOM 130 O GLN A 13 3.701 -7.280 6.504 1.00 0.00 O ATOM 131 CB GLN A 13 3.409 -9.528 8.005 1.00 0.00 C ATOM 132 CG GLN A 13 3.120 -10.778 8.821 1.00 0.00 C ATOM 133 CD GLN A 13 2.914 -10.478 10.293 1.00 0.00 C ATOM 134 OE1 GLN A 13 1.908 -9.887 10.684 1.00 0.00 O ATOM 135 NE2 GLN A 13 3.870 -10.888 11.120 1.00 0.00 N ATOM 0 H GLN A 13 0.424 -10.005 7.277 1.00 0.00 H new ATOM 0 HA GLN A 13 1.592 -8.426 8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.044 -9.795 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.973 -8.826 8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.230 -11.268 8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.946 -11.480 8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.688 -11.375 10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.786 -10.716 12.122 1.00 0.00 H new ATOM 144 N LEU A 14 1.556 -7.157 5.833 1.00 0.00 N ATOM 145 CA LEU A 14 1.794 -6.052 4.911 1.00 0.00 C ATOM 146 C LEU A 14 2.164 -4.780 5.668 1.00 0.00 C ATOM 147 O LEU A 14 1.488 -4.396 6.623 1.00 0.00 O ATOM 148 CB LEU A 14 0.554 -5.804 4.051 1.00 0.00 C ATOM 149 CG LEU A 14 0.808 -5.233 2.655 1.00 0.00 C ATOM 150 CD1 LEU A 14 1.271 -6.329 1.707 1.00 0.00 C ATOM 151 CD2 LEU A 14 -0.444 -4.556 2.119 1.00 0.00 C ATOM 0 H LEU A 14 0.588 -7.478 5.865 1.00 0.00 H new ATOM 0 HA LEU A 14 2.629 -6.324 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.016 -6.746 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.104 -5.120 4.587 1.00 0.00 H new ATOM 0 HG LEU A 14 1.598 -4.485 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.447 -5.905 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.195 -6.769 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.503 -7.100 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.244 -4.156 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.254 -5.283 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.732 -3.743 2.786 1.00 0.00 H new ATOM 163 N ARG A 15 3.240 -4.131 5.235 1.00 0.00 N ATOM 164 CA ARG A 15 3.698 -2.903 5.871 1.00 0.00 C ATOM 165 C ARG A 15 3.896 -1.797 4.839 1.00 0.00 C ATOM 166 O ARG A 15 4.089 -2.068 3.653 1.00 0.00 O ATOM 167 CB ARG A 15 5.005 -3.151 6.625 1.00 0.00 C ATOM 168 CG ARG A 15 5.532 -1.924 7.353 1.00 0.00 C ATOM 169 CD ARG A 15 6.864 -2.206 8.028 1.00 0.00 C ATOM 170 NE ARG A 15 7.245 -1.142 8.954 1.00 0.00 N ATOM 171 CZ ARG A 15 8.431 -1.074 9.548 1.00 0.00 C ATOM 172 NH1 ARG A 15 9.347 -2.005 9.316 1.00 0.00 N ATOM 173 NH2 ARG A 15 8.702 -0.075 10.377 1.00 0.00 N ATOM 0 H ARG A 15 3.810 -4.436 4.446 1.00 0.00 H new ATOM 0 HA ARG A 15 2.933 -2.583 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.851 -3.953 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.761 -3.497 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.648 -1.102 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.806 -1.603 8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.804 -3.151 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.638 -2.320 7.269 1.00 0.00 H new ATOM 0 HE ARG A 15 6.563 -0.411 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.141 -2.776 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.257 -1.950 9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.999 0.642 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.613 -0.023 10.833 1.00 0.00 H new ATOM 187 N ALA A 16 3.848 -0.551 5.297 1.00 0.00 N ATOM 188 CA ALA A 16 4.024 0.595 4.413 1.00 0.00 C ATOM 189 C ALA A 16 5.424 1.183 4.548 1.00 0.00 C ATOM 190 O ALA A 16 5.737 1.845 5.538 1.00 0.00 O ATOM 191 CB ALA A 16 2.973 1.657 4.709 1.00 0.00 C ATOM 0 H ALA A 16 3.689 -0.309 6.275 1.00 0.00 H new ATOM 0 HA ALA A 16 3.900 0.252 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.116 2.507 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.979 1.238 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.071 1.987 5.743 1.00 0.00 H new ATOM 197 N LEU A 17 6.263 0.936 3.548 1.00 0.00 N ATOM 198 CA LEU A 17 7.632 1.440 3.556 1.00 0.00 C ATOM 199 C LEU A 17 7.678 2.899 3.112 1.00 0.00 C ATOM 200 O LEU A 17 6.680 3.448 2.648 1.00 0.00 O ATOM 201 CB LEU A 17 8.515 0.589 2.642 1.00 0.00 C ATOM 202 CG LEU A 17 8.605 1.041 1.184 1.00 0.00 C ATOM 203 CD1 LEU A 17 9.744 0.328 0.473 1.00 0.00 C ATOM 204 CD2 LEU A 17 7.287 0.793 0.465 1.00 0.00 C ATOM 0 H LEU A 17 6.019 0.390 2.722 1.00 0.00 H new ATOM 0 HA LEU A 17 8.010 1.378 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.522 0.570 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.143 -0.435 2.662 1.00 0.00 H new ATOM 0 HG LEU A 17 8.808 2.112 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.792 0.663 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.685 0.557 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.572 -0.748 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.370 1.121 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.053 -0.271 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.492 1.351 0.959 1.00 0.00 H new ATOM 216 N ASN A 18 8.844 3.519 3.255 1.00 0.00 N ATOM 217 CA ASN A 18 9.021 4.914 2.867 1.00 0.00 C ATOM 218 C ASN A 18 9.031 5.059 1.349 1.00 0.00 C ATOM 219 O ASN A 18 9.747 4.340 0.650 1.00 0.00 O ATOM 220 CB ASN A 18 10.321 5.468 3.452 1.00 0.00 C ATOM 221 CG ASN A 18 10.386 5.318 4.960 1.00 0.00 C ATOM 222 OD1 ASN A 18 9.994 4.289 5.511 1.00 0.00 O ATOM 223 ND2 ASN A 18 10.882 6.347 5.636 1.00 0.00 N ATOM 0 H ASN A 18 9.681 3.078 3.637 1.00 0.00 H new ATOM 0 HA ASN A 18 8.181 5.484 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.168 4.951 3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.414 6.522 3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.950 6.304 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.195 7.181 5.139 1.00 0.00 H new ATOM 230 N LEU A 19 8.233 5.992 0.843 1.00 0.00 N ATOM 231 CA LEU A 19 8.151 6.233 -0.594 1.00 0.00 C ATOM 232 C LEU A 19 9.486 6.729 -1.141 1.00 0.00 C ATOM 233 O LEU A 19 10.332 7.220 -0.392 1.00 0.00 O ATOM 234 CB LEU A 19 7.052 7.254 -0.898 1.00 0.00 C ATOM 235 CG LEU A 19 5.614 6.768 -0.706 1.00 0.00 C ATOM 236 CD1 LEU A 19 5.549 5.709 0.383 1.00 0.00 C ATOM 237 CD2 LEU A 19 4.697 7.936 -0.373 1.00 0.00 C ATOM 0 H LEU A 19 7.633 6.595 1.406 1.00 0.00 H new ATOM 0 HA LEU A 19 7.908 5.289 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.208 8.126 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.168 7.586 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 19 5.274 6.320 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.518 5.376 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.174 4.861 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.908 6.130 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.678 7.572 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.035 8.413 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.720 8.660 -1.187 1.00 0.00 H new ATOM 249 N THR A 20 9.668 6.599 -2.450 1.00 0.00 N ATOM 250 CA THR A 20 10.899 7.035 -3.098 1.00 0.00 C ATOM 251 C THR A 20 10.602 7.882 -4.330 1.00 0.00 C ATOM 252 O THR A 20 9.999 7.407 -5.290 1.00 0.00 O ATOM 253 CB THR A 20 11.770 5.834 -3.513 1.00 0.00 C ATOM 254 OG1 THR A 20 12.896 6.285 -4.273 1.00 0.00 O ATOM 255 CG2 THR A 20 10.964 4.839 -4.334 1.00 0.00 C ATOM 0 H THR A 20 8.978 6.195 -3.084 1.00 0.00 H new ATOM 0 HA THR A 20 11.444 7.636 -2.370 1.00 0.00 H new ATOM 0 HB THR A 20 12.119 5.336 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.445 5.516 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.600 4.000 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.124 4.475 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.590 5.328 -5.233 1.00 0.00 H new ATOM 263 N GLU A 21 11.030 9.140 -4.294 1.00 0.00 N ATOM 264 CA GLU A 21 10.810 10.054 -5.408 1.00 0.00 C ATOM 265 C GLU A 21 9.348 10.034 -5.847 1.00 0.00 C ATOM 266 O GLU A 21 9.046 9.917 -7.034 1.00 0.00 O ATOM 267 CB GLU A 21 11.713 9.684 -6.587 1.00 0.00 C ATOM 268 CG GLU A 21 11.995 10.845 -7.526 1.00 0.00 C ATOM 269 CD GLU A 21 13.260 10.644 -8.337 1.00 0.00 C ATOM 270 OE1 GLU A 21 13.316 9.670 -9.116 1.00 0.00 O ATOM 271 OE2 GLU A 21 14.194 11.462 -8.193 1.00 0.00 O ATOM 0 H GLU A 21 11.531 9.549 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 21 11.058 11.061 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.658 9.300 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.247 8.876 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.150 10.974 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.082 11.764 -6.946 1.00 0.00 H new ATOM 278 N GLY A 22 8.444 10.149 -4.878 1.00 0.00 N ATOM 279 CA GLY A 22 7.026 10.141 -5.184 1.00 0.00 C ATOM 280 C GLY A 22 6.561 8.813 -5.746 1.00 0.00 C ATOM 281 O GLY A 22 5.676 8.768 -6.601 1.00 0.00 O ATOM 0 H GLY A 22 8.669 10.247 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.461 10.367 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.808 10.932 -5.902 1.00 0.00 H new ATOM 285 N PHE A 23 7.160 7.727 -5.268 1.00 0.00 N ATOM 286 CA PHE A 23 6.804 6.391 -5.730 1.00 0.00 C ATOM 287 C PHE A 23 6.414 5.495 -4.558 1.00 0.00 C ATOM 288 O PHE A 23 7.263 5.085 -3.767 1.00 0.00 O ATOM 289 CB PHE A 23 7.972 5.766 -6.497 1.00 0.00 C ATOM 290 CG PHE A 23 7.540 4.796 -7.560 1.00 0.00 C ATOM 291 CD1 PHE A 23 6.683 5.192 -8.573 1.00 0.00 C ATOM 292 CD2 PHE A 23 7.991 3.485 -7.543 1.00 0.00 C ATOM 293 CE1 PHE A 23 6.284 4.302 -9.552 1.00 0.00 C ATOM 294 CE2 PHE A 23 7.596 2.590 -8.520 1.00 0.00 C ATOM 295 CZ PHE A 23 6.741 2.998 -9.525 1.00 0.00 C ATOM 0 H PHE A 23 7.895 7.746 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 23 5.946 6.481 -6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.560 6.560 -6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.626 5.253 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.322 6.209 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.658 3.160 -6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.616 4.625 -10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.956 1.572 -8.497 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.430 2.300 -10.288 1.00 0.00 H new ATOM 305 N ALA A 24 5.123 5.197 -4.453 1.00 0.00 N ATOM 306 CA ALA A 24 4.619 4.351 -3.379 1.00 0.00 C ATOM 307 C ALA A 24 4.422 2.916 -3.858 1.00 0.00 C ATOM 308 O ALA A 24 3.752 2.672 -4.861 1.00 0.00 O ATOM 309 CB ALA A 24 3.314 4.910 -2.832 1.00 0.00 C ATOM 0 H ALA A 24 4.407 5.529 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 24 5.360 4.342 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.950 4.267 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.483 5.914 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.572 4.950 -3.630 1.00 0.00 H new ATOM 315 N VAL A 25 5.012 1.969 -3.134 1.00 0.00 N ATOM 316 CA VAL A 25 4.901 0.558 -3.485 1.00 0.00 C ATOM 317 C VAL A 25 4.486 -0.277 -2.279 1.00 0.00 C ATOM 318 O VAL A 25 4.686 0.126 -1.133 1.00 0.00 O ATOM 319 CB VAL A 25 6.229 0.012 -4.042 1.00 0.00 C ATOM 320 CG1 VAL A 25 6.893 1.040 -4.946 1.00 0.00 C ATOM 321 CG2 VAL A 25 7.159 -0.389 -2.905 1.00 0.00 C ATOM 0 H VAL A 25 5.571 2.154 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 25 4.134 0.483 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 25 6.015 -0.876 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.830 0.636 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.230 1.274 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.095 1.948 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.093 -0.773 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.367 0.480 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.684 -1.162 -2.302 1.00 0.00 H new ATOM 331 N LEU A 26 3.907 -1.443 -2.544 1.00 0.00 N ATOM 332 CA LEU A 26 3.464 -2.337 -1.481 1.00 0.00 C ATOM 333 C LEU A 26 4.557 -3.338 -1.120 1.00 0.00 C ATOM 334 O LEU A 26 5.417 -3.658 -1.942 1.00 0.00 O ATOM 335 CB LEU A 26 2.197 -3.080 -1.907 1.00 0.00 C ATOM 336 CG LEU A 26 0.972 -2.210 -2.188 1.00 0.00 C ATOM 337 CD1 LEU A 26 -0.041 -2.970 -3.031 1.00 0.00 C ATOM 338 CD2 LEU A 26 0.339 -1.743 -0.885 1.00 0.00 C ATOM 0 H LEU A 26 3.733 -1.791 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 26 3.245 -1.733 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.422 -3.656 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.939 -3.795 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 26 1.295 -1.332 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.906 -2.335 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.415 -3.255 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.359 -3.866 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.532 -1.125 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.031 -2.609 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.064 -1.160 -0.317 1.00 0.00 H new ATOM 350 N HIS A 27 4.517 -3.831 0.114 1.00 0.00 N ATOM 351 CA HIS A 27 5.502 -4.798 0.583 1.00 0.00 C ATOM 352 C HIS A 27 4.830 -5.927 1.359 1.00 0.00 C ATOM 353 O HIS A 27 4.193 -5.692 2.387 1.00 0.00 O ATOM 354 CB HIS A 27 6.546 -4.109 1.464 1.00 0.00 C ATOM 355 CG HIS A 27 7.888 -4.772 1.432 1.00 0.00 C ATOM 356 ND1 HIS A 27 8.170 -5.934 2.118 1.00 0.00 N ATOM 357 CD2 HIS A 27 9.030 -4.429 0.790 1.00 0.00 C ATOM 358 CE1 HIS A 27 9.427 -6.278 1.901 1.00 0.00 C ATOM 359 NE2 HIS A 27 9.971 -5.381 1.097 1.00 0.00 N ATOM 0 H HIS A 27 3.813 -3.576 0.807 1.00 0.00 H new ATOM 0 HA HIS A 27 5.998 -5.225 -0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.654 -3.073 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.185 -4.088 2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.174 -3.567 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.925 -7.144 2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.933 -5.394 0.759 1.00 0.00 H new ATOM 368 N TRP A 28 4.974 -7.149 0.860 1.00 0.00 N ATOM 369 CA TRP A 28 4.379 -8.313 1.506 1.00 0.00 C ATOM 370 C TRP A 28 5.414 -9.415 1.702 1.00 0.00 C ATOM 371 O TRP A 28 6.396 -9.498 0.963 1.00 0.00 O ATOM 372 CB TRP A 28 3.206 -8.839 0.676 1.00 0.00 C ATOM 373 CG TRP A 28 3.618 -9.374 -0.661 1.00 0.00 C ATOM 374 CD1 TRP A 28 4.466 -10.419 -0.901 1.00 0.00 C ATOM 375 CD2 TRP A 28 3.202 -8.892 -1.943 1.00 0.00 C ATOM 376 NE1 TRP A 28 4.602 -10.614 -2.253 1.00 0.00 N ATOM 377 CE2 TRP A 28 3.836 -9.690 -2.915 1.00 0.00 C ATOM 378 CE3 TRP A 28 2.354 -7.864 -2.364 1.00 0.00 C ATOM 379 CZ2 TRP A 28 3.649 -9.490 -4.280 1.00 0.00 C ATOM 380 CZ3 TRP A 28 2.170 -7.666 -3.719 1.00 0.00 C ATOM 381 CH2 TRP A 28 2.813 -8.477 -4.664 1.00 0.00 C ATOM 0 H TRP A 28 5.497 -7.360 0.010 1.00 0.00 H new ATOM 0 HA TRP A 28 4.013 -8.006 2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.699 -9.626 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.484 -8.036 0.531 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.957 -11.005 -0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.179 -11.330 -2.693 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.852 -7.236 -1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.146 -10.112 -5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.519 -6.872 -4.056 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.645 -8.299 -5.716 1.00 0.00 H new ATOM 392 N LYS A 29 5.190 -10.260 2.702 1.00 0.00 N ATOM 393 CA LYS A 29 6.102 -11.360 2.994 1.00 0.00 C ATOM 394 C LYS A 29 5.664 -12.636 2.282 1.00 0.00 C ATOM 395 O LYS A 29 4.538 -13.108 2.441 1.00 0.00 O ATOM 396 CB LYS A 29 6.172 -11.604 4.503 1.00 0.00 C ATOM 397 CG LYS A 29 6.994 -12.823 4.885 1.00 0.00 C ATOM 398 CD LYS A 29 6.758 -13.225 6.331 1.00 0.00 C ATOM 399 CE LYS A 29 7.338 -14.598 6.630 1.00 0.00 C ATOM 400 NZ LYS A 29 7.262 -14.929 8.080 1.00 0.00 N ATOM 0 H LYS A 29 4.384 -10.204 3.325 1.00 0.00 H new ATOM 0 HA LYS A 29 7.092 -11.084 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.597 -10.724 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.160 -11.723 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.739 -13.655 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.052 -12.611 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.209 -12.486 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.688 -13.228 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.799 -15.352 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.378 -14.632 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.667 -15.873 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.797 -14.224 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.268 -14.922 8.386 1.00 0.00 H new ATOM 414 N PRO A 30 6.573 -13.209 1.479 1.00 0.00 N ATOM 415 CA PRO A 30 6.303 -14.438 0.729 1.00 0.00 C ATOM 416 C PRO A 30 6.191 -15.658 1.636 1.00 0.00 C ATOM 417 O PRO A 30 7.066 -15.933 2.458 1.00 0.00 O ATOM 418 CB PRO A 30 7.519 -14.566 -0.192 1.00 0.00 C ATOM 419 CG PRO A 30 8.605 -13.830 0.512 1.00 0.00 C ATOM 420 CD PRO A 30 7.934 -12.700 1.243 1.00 0.00 C ATOM 0 HA PRO A 30 5.352 -14.391 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.787 -15.610 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.320 -14.135 -1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.133 -14.484 1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 30 9.343 -13.453 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.444 -12.467 2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.924 -11.786 0.649 1.00 0.00 H new ATOM 428 N PRO A 31 5.090 -16.410 1.486 1.00 0.00 N ATOM 429 CA PRO A 31 4.838 -17.614 2.284 1.00 0.00 C ATOM 430 C PRO A 31 5.783 -18.755 1.924 1.00 0.00 C ATOM 431 O PRO A 31 6.563 -18.651 0.978 1.00 0.00 O ATOM 432 CB PRO A 31 3.396 -17.982 1.925 1.00 0.00 C ATOM 433 CG PRO A 31 3.181 -17.398 0.572 1.00 0.00 C ATOM 434 CD PRO A 31 4.005 -16.141 0.527 1.00 0.00 C ATOM 0 HA PRO A 31 4.996 -17.438 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.254 -19.063 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.691 -17.573 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.490 -18.095 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.126 -17.179 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.392 -15.950 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.421 -15.267 0.816 1.00 0.00 H new ATOM 442 N GLN A 32 5.708 -19.841 2.686 1.00 0.00 N ATOM 443 CA GLN A 32 6.558 -21.002 2.446 1.00 0.00 C ATOM 444 C GLN A 32 6.499 -21.427 0.983 1.00 0.00 C ATOM 445 O GLN A 32 7.519 -21.758 0.380 1.00 0.00 O ATOM 446 CB GLN A 32 6.136 -22.164 3.346 1.00 0.00 C ATOM 447 CG GLN A 32 6.766 -23.493 2.959 1.00 0.00 C ATOM 448 CD GLN A 32 6.609 -24.548 4.035 1.00 0.00 C ATOM 449 OE1 GLN A 32 5.496 -24.966 4.356 1.00 0.00 O ATOM 450 NE2 GLN A 32 7.728 -24.986 4.603 1.00 0.00 N ATOM 0 H GLN A 32 5.068 -19.942 3.474 1.00 0.00 H new ATOM 0 HA GLN A 32 7.585 -20.724 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.404 -21.931 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.051 -22.262 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.311 -23.851 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.826 -23.343 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.630 -24.613 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.685 -25.695 5.335 1.00 0.00 H new ATOM 459 N ASN A 33 5.296 -21.418 0.417 1.00 0.00 N ATOM 460 CA ASN A 33 5.103 -21.804 -0.976 1.00 0.00 C ATOM 461 C ASN A 33 4.772 -20.590 -1.836 1.00 0.00 C ATOM 462 O ASN A 33 3.858 -19.818 -1.540 1.00 0.00 O ATOM 463 CB ASN A 33 3.987 -22.843 -1.088 1.00 0.00 C ATOM 464 CG ASN A 33 3.715 -23.248 -2.524 1.00 0.00 C ATOM 465 OD1 ASN A 33 4.227 -24.261 -3.003 1.00 0.00 O ATOM 466 ND2 ASN A 33 2.908 -22.456 -3.220 1.00 0.00 N ATOM 0 H ASN A 33 4.440 -21.148 0.902 1.00 0.00 H new ATOM 0 HA ASN A 33 6.034 -22.240 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.257 -23.726 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.075 -22.441 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.690 -22.677 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.506 -21.627 -2.783 1.00 0.00 H new ATOM 473 N PRO A 34 5.529 -20.413 -2.929 1.00 0.00 N ATOM 474 CA PRO A 34 5.334 -19.295 -3.856 1.00 0.00 C ATOM 475 C PRO A 34 4.041 -19.422 -4.654 1.00 0.00 C ATOM 476 O PRO A 34 3.753 -20.474 -5.225 1.00 0.00 O ATOM 477 CB PRO A 34 6.547 -19.388 -4.785 1.00 0.00 C ATOM 478 CG PRO A 34 6.953 -20.821 -4.735 1.00 0.00 C ATOM 479 CD PRO A 34 6.635 -21.293 -3.343 1.00 0.00 C ATOM 0 HA PRO A 34 5.253 -18.342 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.292 -19.084 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.354 -18.736 -4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.412 -21.406 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.015 -20.934 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.339 -22.342 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.495 -21.197 -2.680 1.00 0.00 H new ATOM 487 N VAL A 35 3.264 -18.343 -4.689 1.00 0.00 N ATOM 488 CA VAL A 35 2.002 -18.334 -5.419 1.00 0.00 C ATOM 489 C VAL A 35 2.232 -18.149 -6.914 1.00 0.00 C ATOM 490 O VAL A 35 3.373 -18.067 -7.371 1.00 0.00 O ATOM 491 CB VAL A 35 1.069 -17.218 -4.913 1.00 0.00 C ATOM 492 CG1 VAL A 35 0.497 -17.577 -3.550 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.810 -15.891 -4.855 1.00 0.00 C ATOM 0 H VAL A 35 3.487 -17.465 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 35 1.529 -19.301 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 35 0.240 -17.116 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.160 -16.777 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.071 -18.504 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.311 -17.707 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.136 -15.113 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.659 -15.978 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.167 -15.630 -5.851 1.00 0.00 H new ATOM 503 N ASP A 36 1.143 -18.086 -7.672 1.00 0.00 N ATOM 504 CA ASP A 36 1.226 -17.908 -9.117 1.00 0.00 C ATOM 505 C ASP A 36 1.190 -16.428 -9.486 1.00 0.00 C ATOM 506 O ASP A 36 2.126 -15.906 -10.093 1.00 0.00 O ATOM 507 CB ASP A 36 0.080 -18.648 -9.809 1.00 0.00 C ATOM 508 CG ASP A 36 0.249 -20.154 -9.759 1.00 0.00 C ATOM 509 OD1 ASP A 36 1.390 -20.617 -9.553 1.00 0.00 O ATOM 510 OD2 ASP A 36 -0.761 -20.869 -9.925 1.00 0.00 O ATOM 0 H ASP A 36 0.192 -18.156 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 36 2.175 -18.324 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.863 -18.375 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.019 -18.327 -10.849 1.00 0.00 H new ATOM 515 N THR A 37 0.104 -15.758 -9.116 1.00 0.00 N ATOM 516 CA THR A 37 -0.056 -14.339 -9.411 1.00 0.00 C ATOM 517 C THR A 37 -0.699 -13.604 -8.241 1.00 0.00 C ATOM 518 O THR A 37 -1.577 -14.141 -7.565 1.00 0.00 O ATOM 519 CB THR A 37 -0.911 -14.120 -10.673 1.00 0.00 C ATOM 520 OG1 THR A 37 -1.934 -15.119 -10.751 1.00 0.00 O ATOM 521 CG2 THR A 37 -0.050 -14.171 -11.926 1.00 0.00 C ATOM 0 H THR A 37 -0.678 -16.175 -8.611 1.00 0.00 H new ATOM 0 HA THR A 37 0.942 -13.938 -9.584 1.00 0.00 H new ATOM 0 HB THR A 37 -1.370 -13.134 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.474 -14.972 -11.555 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.676 -14.014 -12.804 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.710 -13.391 -11.877 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.434 -15.145 -11.995 1.00 0.00 H new ATOM 529 N TYR A 38 -0.256 -12.374 -8.006 1.00 0.00 N ATOM 530 CA TYR A 38 -0.787 -11.566 -6.915 1.00 0.00 C ATOM 531 C TYR A 38 -1.829 -10.576 -7.429 1.00 0.00 C ATOM 532 O TYR A 38 -1.572 -9.816 -8.363 1.00 0.00 O ATOM 533 CB TYR A 38 0.343 -10.814 -6.212 1.00 0.00 C ATOM 534 CG TYR A 38 1.340 -11.722 -5.526 1.00 0.00 C ATOM 535 CD1 TYR A 38 1.001 -12.406 -4.366 1.00 0.00 C ATOM 536 CD2 TYR A 38 2.619 -11.894 -6.040 1.00 0.00 C ATOM 537 CE1 TYR A 38 1.909 -13.237 -3.736 1.00 0.00 C ATOM 538 CE2 TYR A 38 3.533 -12.724 -5.417 1.00 0.00 C ATOM 539 CZ TYR A 38 3.173 -13.393 -4.266 1.00 0.00 C ATOM 540 OH TYR A 38 4.080 -14.218 -3.642 1.00 0.00 O ATOM 0 H TYR A 38 0.470 -11.915 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.267 -12.235 -6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.868 -10.198 -6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.087 -10.137 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.012 -12.287 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.904 -11.371 -6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.630 -13.761 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.523 -12.848 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 38 4.922 -14.218 -4.144 1.00 0.00 H new ATOM 550 N ASP A 39 -3.005 -10.590 -6.810 1.00 0.00 N ATOM 551 CA ASP A 39 -4.086 -9.694 -7.201 1.00 0.00 C ATOM 552 C ASP A 39 -4.096 -8.442 -6.330 1.00 0.00 C ATOM 553 O ASP A 39 -4.505 -8.485 -5.170 1.00 0.00 O ATOM 554 CB ASP A 39 -5.433 -10.411 -7.101 1.00 0.00 C ATOM 555 CG ASP A 39 -6.598 -9.507 -7.454 1.00 0.00 C ATOM 556 OD1 ASP A 39 -6.390 -8.542 -8.220 1.00 0.00 O ATOM 557 OD2 ASP A 39 -7.719 -9.763 -6.964 1.00 0.00 O ATOM 0 H ASP A 39 -3.233 -11.213 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.919 -9.394 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.432 -11.274 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.565 -10.790 -6.088 1.00 0.00 H new ATOM 562 N ILE A 40 -3.642 -7.329 -6.899 1.00 0.00 N ATOM 563 CA ILE A 40 -3.598 -6.065 -6.173 1.00 0.00 C ATOM 564 C ILE A 40 -4.682 -5.113 -6.665 1.00 0.00 C ATOM 565 O ILE A 40 -4.738 -4.777 -7.848 1.00 0.00 O ATOM 566 CB ILE A 40 -2.226 -5.381 -6.316 1.00 0.00 C ATOM 567 CG1 ILE A 40 -1.111 -6.325 -5.858 1.00 0.00 C ATOM 568 CG2 ILE A 40 -2.193 -4.087 -5.516 1.00 0.00 C ATOM 569 CD1 ILE A 40 0.211 -6.078 -6.549 1.00 0.00 C ATOM 0 H ILE A 40 -3.300 -7.277 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.770 -6.297 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.064 -5.140 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.975 -6.218 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.420 -7.354 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.217 -3.615 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.966 -3.412 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.373 -4.305 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.954 -6.783 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.091 -6.213 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.543 -5.060 -6.346 1.00 0.00 H new ATOM 581 N GLN A 41 -5.541 -4.678 -5.748 1.00 0.00 N ATOM 582 CA GLN A 41 -6.623 -3.762 -6.089 1.00 0.00 C ATOM 583 C GLN A 41 -6.406 -2.398 -5.442 1.00 0.00 C ATOM 584 O GLN A 41 -6.320 -2.286 -4.220 1.00 0.00 O ATOM 585 CB GLN A 41 -7.968 -4.340 -5.646 1.00 0.00 C ATOM 586 CG GLN A 41 -8.380 -3.919 -4.245 1.00 0.00 C ATOM 587 CD GLN A 41 -9.497 -4.776 -3.683 1.00 0.00 C ATOM 588 OE1 GLN A 41 -10.496 -4.261 -3.178 1.00 0.00 O ATOM 589 NE2 GLN A 41 -9.335 -6.092 -3.767 1.00 0.00 N ATOM 0 H GLN A 41 -5.508 -4.945 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.629 -3.634 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.738 -4.028 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.918 -5.428 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.515 -3.976 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.700 -2.877 -4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.492 -6.476 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.054 -6.718 -3.405 1.00 0.00 H new ATOM 598 N VAL A 42 -6.316 -1.363 -6.272 1.00 0.00 N ATOM 599 CA VAL A 42 -6.108 -0.006 -5.780 1.00 0.00 C ATOM 600 C VAL A 42 -7.326 0.869 -6.056 1.00 0.00 C ATOM 601 O VAL A 42 -7.682 1.115 -7.209 1.00 0.00 O ATOM 602 CB VAL A 42 -4.868 0.641 -6.427 1.00 0.00 C ATOM 603 CG1 VAL A 42 -4.653 2.045 -5.880 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.637 -0.223 -6.199 1.00 0.00 C ATOM 0 H VAL A 42 -6.384 -1.438 -7.287 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.951 -0.078 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.037 0.717 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.773 2.487 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.527 2.658 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.505 1.996 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.771 0.249 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.462 -0.332 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.795 -1.206 -6.642 1.00 0.00 H new ATOM 614 N THR A 43 -7.963 1.340 -4.987 1.00 0.00 N ATOM 615 CA THR A 43 -9.141 2.188 -5.111 1.00 0.00 C ATOM 616 C THR A 43 -9.152 3.275 -4.043 1.00 0.00 C ATOM 617 O THR A 43 -8.334 3.263 -3.123 1.00 0.00 O ATOM 618 CB THR A 43 -10.439 1.365 -5.005 1.00 0.00 C ATOM 619 OG1 THR A 43 -10.718 1.065 -3.633 1.00 0.00 O ATOM 620 CG2 THR A 43 -10.327 0.073 -5.799 1.00 0.00 C ATOM 0 H THR A 43 -7.682 1.148 -4.026 1.00 0.00 H new ATOM 0 HA THR A 43 -9.094 2.652 -6.096 1.00 0.00 H new ATOM 0 HB THR A 43 -11.254 1.958 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.545 0.543 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.255 -0.491 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.144 0.305 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.501 -0.523 -5.410 1.00 0.00 H new ATOM 628 N ALA A 44 -10.085 4.213 -4.169 1.00 0.00 N ATOM 629 CA ALA A 44 -10.204 5.305 -3.211 1.00 0.00 C ATOM 630 C ALA A 44 -11.462 6.126 -3.468 1.00 0.00 C ATOM 631 O ALA A 44 -12.032 6.109 -4.560 1.00 0.00 O ATOM 632 CB ALA A 44 -8.971 6.194 -3.269 1.00 0.00 C ATOM 0 H ALA A 44 -10.769 4.238 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.281 4.873 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.073 7.005 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.086 5.605 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.869 6.610 -4.271 1.00 0.00 H new ATOM 638 N PRO A 45 -11.909 6.864 -2.441 1.00 0.00 N ATOM 639 CA PRO A 45 -13.106 7.706 -2.533 1.00 0.00 C ATOM 640 C PRO A 45 -12.896 8.915 -3.437 1.00 0.00 C ATOM 641 O PRO A 45 -12.264 9.895 -3.044 1.00 0.00 O ATOM 642 CB PRO A 45 -13.336 8.153 -1.088 1.00 0.00 C ATOM 643 CG PRO A 45 -11.992 8.081 -0.449 1.00 0.00 C ATOM 644 CD PRO A 45 -11.280 6.934 -1.112 1.00 0.00 C ATOM 0 HA PRO A 45 -13.949 7.170 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.740 9.164 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.050 7.503 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.444 9.013 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.079 7.918 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.207 7.115 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.410 6.005 -0.556 1.00 0.00 H new ATOM 652 N GLY A 46 -13.432 8.840 -4.652 1.00 0.00 N ATOM 653 CA GLY A 46 -13.293 9.937 -5.593 1.00 0.00 C ATOM 654 C GLY A 46 -12.295 9.632 -6.693 1.00 0.00 C ATOM 655 O GLY A 46 -12.376 10.191 -7.787 1.00 0.00 O ATOM 0 H GLY A 46 -13.960 8.040 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.264 10.156 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.978 10.833 -5.058 1.00 0.00 H new ATOM 659 N ALA A 47 -11.348 8.746 -6.402 1.00 0.00 N ATOM 660 CA ALA A 47 -10.329 8.369 -7.375 1.00 0.00 C ATOM 661 C ALA A 47 -10.767 7.152 -8.184 1.00 0.00 C ATOM 662 O ALA A 47 -11.537 6.311 -7.719 1.00 0.00 O ATOM 663 CB ALA A 47 -9.008 8.093 -6.675 1.00 0.00 C ATOM 0 H ALA A 47 -11.265 8.276 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.194 9.202 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.257 7.813 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.682 8.989 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.137 7.279 -5.962 1.00 0.00 H new ATOM 669 N PRO A 48 -10.266 7.053 -9.423 1.00 0.00 N ATOM 670 CA PRO A 48 -10.592 5.942 -10.323 1.00 0.00 C ATOM 671 C PRO A 48 -9.976 4.626 -9.865 1.00 0.00 C ATOM 672 O PRO A 48 -8.887 4.588 -9.289 1.00 0.00 O ATOM 673 CB PRO A 48 -9.986 6.379 -11.659 1.00 0.00 C ATOM 674 CG PRO A 48 -8.886 7.313 -11.290 1.00 0.00 C ATOM 675 CD PRO A 48 -9.343 8.019 -10.044 1.00 0.00 C ATOM 0 HA PRO A 48 -11.665 5.754 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.608 5.525 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.728 6.871 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.957 6.771 -11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.692 8.024 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.506 8.255 -9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.842 8.960 -10.275 1.00 0.00 H new ATOM 683 N PRO A 49 -10.685 3.517 -10.123 1.00 0.00 N ATOM 684 CA PRO A 49 -10.227 2.177 -9.746 1.00 0.00 C ATOM 685 C PRO A 49 -9.029 1.721 -10.572 1.00 0.00 C ATOM 686 O PRO A 49 -8.904 2.065 -11.748 1.00 0.00 O ATOM 687 CB PRO A 49 -11.442 1.292 -10.033 1.00 0.00 C ATOM 688 CG PRO A 49 -12.205 2.024 -11.082 1.00 0.00 C ATOM 689 CD PRO A 49 -11.991 3.487 -10.805 1.00 0.00 C ATOM 0 HA PRO A 49 -9.890 2.138 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.139 0.304 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.044 1.144 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.851 1.760 -12.078 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.264 1.770 -11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.978 4.072 -11.724 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.782 3.897 -10.177 1.00 0.00 H new ATOM 697 N LEU A 50 -8.148 0.945 -9.948 1.00 0.00 N ATOM 698 CA LEU A 50 -6.959 0.440 -10.626 1.00 0.00 C ATOM 699 C LEU A 50 -6.747 -1.039 -10.324 1.00 0.00 C ATOM 700 O LEU A 50 -6.738 -1.451 -9.165 1.00 0.00 O ATOM 701 CB LEU A 50 -5.727 1.241 -10.201 1.00 0.00 C ATOM 702 CG LEU A 50 -4.379 0.539 -10.369 1.00 0.00 C ATOM 703 CD1 LEU A 50 -4.034 0.391 -11.843 1.00 0.00 C ATOM 704 CD2 LEU A 50 -3.284 1.303 -9.638 1.00 0.00 C ATOM 0 H LEU A 50 -8.235 0.652 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.107 0.555 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.705 2.168 -10.775 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.842 1.517 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.453 -0.457 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.071 -0.111 -11.943 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.804 -0.199 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.979 1.377 -12.305 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.332 0.789 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.210 2.312 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.525 1.357 -8.576 1.00 0.00 H new ATOM 716 N GLN A 51 -6.574 -1.834 -11.377 1.00 0.00 N ATOM 717 CA GLN A 51 -6.361 -3.268 -11.223 1.00 0.00 C ATOM 718 C GLN A 51 -5.054 -3.698 -11.882 1.00 0.00 C ATOM 719 O GLN A 51 -4.803 -3.387 -13.046 1.00 0.00 O ATOM 720 CB GLN A 51 -7.531 -4.047 -11.827 1.00 0.00 C ATOM 721 CG GLN A 51 -7.250 -5.531 -11.997 1.00 0.00 C ATOM 722 CD GLN A 51 -7.195 -6.270 -10.674 1.00 0.00 C ATOM 723 OE1 GLN A 51 -6.379 -5.955 -9.808 1.00 0.00 O ATOM 724 NE2 GLN A 51 -8.066 -7.259 -10.512 1.00 0.00 N ATOM 0 H GLN A 51 -6.577 -1.509 -12.344 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.299 -3.488 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.407 -3.922 -11.191 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.779 -3.619 -12.798 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.024 -5.974 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.303 -5.660 -12.520 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.725 -7.486 -11.257 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.076 -7.792 -9.642 1.00 0.00 H new ATOM 733 N ALA A 52 -4.225 -4.413 -11.129 1.00 0.00 N ATOM 734 CA ALA A 52 -2.945 -4.886 -11.641 1.00 0.00 C ATOM 735 C ALA A 52 -2.659 -6.309 -11.173 1.00 0.00 C ATOM 736 O ALA A 52 -3.349 -6.836 -10.302 1.00 0.00 O ATOM 737 CB ALA A 52 -1.825 -3.951 -11.207 1.00 0.00 C ATOM 0 H ALA A 52 -4.417 -4.677 -10.163 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.997 -4.893 -12.730 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.875 -4.316 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.016 -2.950 -11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.782 -3.916 -10.118 1.00 0.00 H new ATOM 743 N GLU A 53 -1.637 -6.926 -11.759 1.00 0.00 N ATOM 744 CA GLU A 53 -1.262 -8.289 -11.402 1.00 0.00 C ATOM 745 C GLU A 53 0.235 -8.510 -11.595 1.00 0.00 C ATOM 746 O GLU A 53 0.874 -7.843 -12.411 1.00 0.00 O ATOM 747 CB GLU A 53 -2.050 -9.295 -12.244 1.00 0.00 C ATOM 748 CG GLU A 53 -2.301 -10.616 -11.536 1.00 0.00 C ATOM 749 CD GLU A 53 -3.171 -11.556 -12.348 1.00 0.00 C ATOM 750 OE1 GLU A 53 -2.704 -12.033 -13.403 1.00 0.00 O ATOM 751 OE2 GLU A 53 -4.318 -11.815 -11.928 1.00 0.00 O ATOM 0 H GLU A 53 -1.055 -6.504 -12.482 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.501 -8.440 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.007 -8.853 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.507 -9.486 -13.170 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.347 -11.099 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.778 -10.424 -10.575 1.00 0.00 H new ATOM 758 N THR A 54 0.792 -9.450 -10.839 1.00 0.00 N ATOM 759 CA THR A 54 2.214 -9.759 -10.924 1.00 0.00 C ATOM 760 C THR A 54 2.480 -11.223 -10.597 1.00 0.00 C ATOM 761 O THR A 54 1.747 -11.858 -9.839 1.00 0.00 O ATOM 762 CB THR A 54 3.039 -8.874 -9.970 1.00 0.00 C ATOM 763 OG1 THR A 54 4.235 -9.557 -9.579 1.00 0.00 O ATOM 764 CG2 THR A 54 2.230 -8.510 -8.734 1.00 0.00 C ATOM 0 H THR A 54 0.279 -10.012 -10.160 1.00 0.00 H new ATOM 0 HA THR A 54 2.520 -9.558 -11.951 1.00 0.00 H new ATOM 0 HB THR A 54 3.301 -7.956 -10.497 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.016 -9.051 -9.887 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.833 -7.885 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.335 -7.964 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.941 -9.420 -8.207 1.00 0.00 H new ATOM 772 N PRO A 55 3.553 -11.776 -11.184 1.00 0.00 N ATOM 773 CA PRO A 55 3.940 -13.173 -10.968 1.00 0.00 C ATOM 774 C PRO A 55 4.462 -13.419 -9.556 1.00 0.00 C ATOM 775 O PRO A 55 5.066 -12.539 -8.946 1.00 0.00 O ATOM 776 CB PRO A 55 5.053 -13.395 -11.996 1.00 0.00 C ATOM 777 CG PRO A 55 5.619 -12.038 -12.240 1.00 0.00 C ATOM 778 CD PRO A 55 4.470 -11.079 -12.100 1.00 0.00 C ATOM 0 HA PRO A 55 3.095 -13.852 -11.080 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.812 -14.078 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.662 -13.832 -12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.408 -11.809 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.063 -11.973 -13.233 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.794 -10.121 -11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.999 -10.874 -13.061 1.00 0.00 H new ATOM 786 N GLY A 56 4.224 -14.623 -9.043 1.00 0.00 N ATOM 787 CA GLY A 56 4.678 -14.963 -7.708 1.00 0.00 C ATOM 788 C GLY A 56 6.139 -14.628 -7.490 1.00 0.00 C ATOM 789 O GLY A 56 6.542 -14.272 -6.382 1.00 0.00 O ATOM 0 H GLY A 56 3.725 -15.368 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.073 -14.430 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.523 -16.028 -7.535 1.00 0.00 H new ATOM 793 N SER A 57 6.936 -14.744 -8.547 1.00 0.00 N ATOM 794 CA SER A 57 8.363 -14.456 -8.464 1.00 0.00 C ATOM 795 C SER A 57 8.604 -13.077 -7.858 1.00 0.00 C ATOM 796 O SER A 57 9.710 -12.766 -7.418 1.00 0.00 O ATOM 797 CB SER A 57 9.003 -14.536 -9.851 1.00 0.00 C ATOM 798 OG SER A 57 8.498 -13.523 -10.705 1.00 0.00 O ATOM 0 H SER A 57 6.618 -15.035 -9.471 1.00 0.00 H new ATOM 0 HA SER A 57 8.822 -15.203 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.085 -14.435 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.809 -15.515 -10.289 1.00 0.00 H new ATOM 0 HG SER A 57 8.924 -13.594 -11.585 1.00 0.00 H new ATOM 804 N ALA A 58 7.561 -12.255 -7.840 1.00 0.00 N ATOM 805 CA ALA A 58 7.658 -10.909 -7.289 1.00 0.00 C ATOM 806 C ALA A 58 7.258 -10.889 -5.817 1.00 0.00 C ATOM 807 O ALA A 58 6.498 -11.742 -5.359 1.00 0.00 O ATOM 808 CB ALA A 58 6.791 -9.947 -8.086 1.00 0.00 C ATOM 0 H ALA A 58 6.638 -12.497 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 58 8.697 -10.588 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.874 -8.946 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.125 -9.931 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.752 -10.274 -8.044 1.00 0.00 H new ATOM 814 N VAL A 59 7.774 -9.910 -5.081 1.00 0.00 N ATOM 815 CA VAL A 59 7.470 -9.780 -3.661 1.00 0.00 C ATOM 816 C VAL A 59 6.922 -8.393 -3.343 1.00 0.00 C ATOM 817 O VAL A 59 6.773 -8.027 -2.176 1.00 0.00 O ATOM 818 CB VAL A 59 8.716 -10.039 -2.795 1.00 0.00 C ATOM 819 CG1 VAL A 59 9.092 -11.513 -2.825 1.00 0.00 C ATOM 820 CG2 VAL A 59 9.879 -9.174 -3.260 1.00 0.00 C ATOM 0 H VAL A 59 8.404 -9.195 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 59 6.713 -10.529 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 59 8.482 -9.770 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.975 -11.676 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.264 -12.108 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.307 -11.813 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.751 -9.371 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.115 -9.409 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.605 -8.122 -3.179 1.00 0.00 H new ATOM 830 N ASP A 60 6.623 -7.627 -4.385 1.00 0.00 N ATOM 831 CA ASP A 60 6.089 -6.281 -4.216 1.00 0.00 C ATOM 832 C ASP A 60 5.629 -5.707 -5.553 1.00 0.00 C ATOM 833 O ASP A 60 6.105 -6.117 -6.613 1.00 0.00 O ATOM 834 CB ASP A 60 7.143 -5.366 -3.591 1.00 0.00 C ATOM 835 CG ASP A 60 8.504 -5.520 -4.241 1.00 0.00 C ATOM 836 OD1 ASP A 60 8.588 -5.388 -5.480 1.00 0.00 O ATOM 837 OD2 ASP A 60 9.484 -5.773 -3.511 1.00 0.00 O ATOM 0 H ASP A 60 6.741 -7.915 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 60 5.228 -6.339 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.817 -4.329 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.225 -5.586 -2.527 1.00 0.00 H new ATOM 842 N TYR A 61 4.700 -4.760 -5.496 1.00 0.00 N ATOM 843 CA TYR A 61 4.173 -4.133 -6.703 1.00 0.00 C ATOM 844 C TYR A 61 3.980 -2.633 -6.497 1.00 0.00 C ATOM 845 O TYR A 61 3.154 -2.191 -5.699 1.00 0.00 O ATOM 846 CB TYR A 61 2.845 -4.779 -7.100 1.00 0.00 C ATOM 847 CG TYR A 61 2.433 -4.489 -8.526 1.00 0.00 C ATOM 848 CD1 TYR A 61 3.050 -5.129 -9.593 1.00 0.00 C ATOM 849 CD2 TYR A 61 1.424 -3.575 -8.805 1.00 0.00 C ATOM 850 CE1 TYR A 61 2.678 -4.865 -10.897 1.00 0.00 C ATOM 851 CE2 TYR A 61 1.044 -3.307 -10.106 1.00 0.00 C ATOM 852 CZ TYR A 61 1.674 -3.954 -11.148 1.00 0.00 C ATOM 853 OH TYR A 61 1.298 -3.690 -12.445 1.00 0.00 O ATOM 0 H TYR A 61 4.296 -4.409 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 61 4.896 -4.282 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.921 -5.858 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.064 -4.427 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 61 3.834 -5.846 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.929 -3.066 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.171 -5.369 -11.715 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.257 -2.594 -10.306 1.00 0.00 H new ATOM 0 HH TYR A 61 1.443 -4.487 -12.996 1.00 0.00 H new ATOM 863 N PRO A 62 4.760 -1.830 -7.236 1.00 0.00 N ATOM 864 CA PRO A 62 4.694 -0.369 -7.155 1.00 0.00 C ATOM 865 C PRO A 62 3.400 0.187 -7.741 1.00 0.00 C ATOM 866 O PRO A 62 2.818 -0.400 -8.653 1.00 0.00 O ATOM 867 CB PRO A 62 5.896 0.088 -7.986 1.00 0.00 C ATOM 868 CG PRO A 62 6.144 -1.030 -8.939 1.00 0.00 C ATOM 869 CD PRO A 62 5.767 -2.289 -8.209 1.00 0.00 C ATOM 0 HA PRO A 62 4.713 -0.018 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.682 1.018 -8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.766 0.272 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.548 -0.911 -9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.189 -1.056 -9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.359 -3.039 -8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.627 -2.740 -7.715 1.00 0.00 H new ATOM 877 N LEU A 63 2.956 1.321 -7.211 1.00 0.00 N ATOM 878 CA LEU A 63 1.729 1.956 -7.682 1.00 0.00 C ATOM 879 C LEU A 63 1.953 3.442 -7.944 1.00 0.00 C ATOM 880 O LEU A 63 2.538 4.147 -7.122 1.00 0.00 O ATOM 881 CB LEU A 63 0.609 1.770 -6.658 1.00 0.00 C ATOM 882 CG LEU A 63 0.258 0.325 -6.304 1.00 0.00 C ATOM 883 CD1 LEU A 63 -0.318 0.245 -4.898 1.00 0.00 C ATOM 884 CD2 LEU A 63 -0.723 -0.250 -7.316 1.00 0.00 C ATOM 0 H LEU A 63 3.426 1.820 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 63 1.438 1.480 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.891 2.289 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.288 2.258 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 63 1.172 -0.268 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.562 -0.791 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.416 0.616 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.221 0.853 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.961 -1.279 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.636 0.345 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.275 -0.228 -8.310 1.00 0.00 H new ATOM 896 N HIS A 64 1.480 3.913 -9.095 1.00 0.00 N ATOM 897 CA HIS A 64 1.625 5.317 -9.464 1.00 0.00 C ATOM 898 C HIS A 64 0.284 5.908 -9.886 1.00 0.00 C ATOM 899 O HIS A 64 -0.721 5.201 -9.965 1.00 0.00 O ATOM 900 CB HIS A 64 2.642 5.465 -10.596 1.00 0.00 C ATOM 901 CG HIS A 64 2.301 4.663 -11.815 1.00 0.00 C ATOM 902 ND1 HIS A 64 1.891 5.236 -13.001 1.00 0.00 N ATOM 903 CD2 HIS A 64 2.313 3.327 -12.028 1.00 0.00 C ATOM 904 CE1 HIS A 64 1.665 4.284 -13.890 1.00 0.00 C ATOM 905 NE2 HIS A 64 1.914 3.117 -13.325 1.00 0.00 N ATOM 0 H HIS A 64 0.994 3.343 -9.787 1.00 0.00 H new ATOM 0 HA HIS A 64 1.983 5.863 -8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.716 6.517 -10.872 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.624 5.161 -10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.586 2.567 -11.311 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.333 4.435 -14.906 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.825 2.208 -13.778 1.00 0.00 H new ATOM 914 N ASP A 65 0.276 7.209 -10.157 1.00 0.00 N ATOM 915 CA ASP A 65 -0.942 7.896 -10.572 1.00 0.00 C ATOM 916 C ASP A 65 -1.905 8.052 -9.399 1.00 0.00 C ATOM 917 O ASP A 65 -3.123 8.069 -9.580 1.00 0.00 O ATOM 918 CB ASP A 65 -1.622 7.131 -11.708 1.00 0.00 C ATOM 919 CG ASP A 65 -2.454 8.035 -12.597 1.00 0.00 C ATOM 920 OD1 ASP A 65 -1.904 9.030 -13.113 1.00 0.00 O ATOM 921 OD2 ASP A 65 -3.656 7.746 -12.777 1.00 0.00 O ATOM 0 H ASP A 65 1.099 7.809 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.667 8.889 -10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.864 6.631 -12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.259 6.353 -11.288 1.00 0.00 H new ATOM 926 N LEU A 66 -1.350 8.165 -8.197 1.00 0.00 N ATOM 927 CA LEU A 66 -2.160 8.318 -6.993 1.00 0.00 C ATOM 928 C LEU A 66 -2.200 9.775 -6.545 1.00 0.00 C ATOM 929 O LEU A 66 -1.199 10.488 -6.623 1.00 0.00 O ATOM 930 CB LEU A 66 -1.607 7.443 -5.868 1.00 0.00 C ATOM 931 CG LEU A 66 -1.785 5.934 -6.041 1.00 0.00 C ATOM 932 CD1 LEU A 66 -0.642 5.352 -6.860 1.00 0.00 C ATOM 933 CD2 LEU A 66 -1.875 5.247 -4.686 1.00 0.00 C ATOM 0 H LEU A 66 -0.344 8.154 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.176 8.000 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.543 7.653 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.086 7.740 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.717 5.758 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.786 4.277 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.624 5.821 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.303 5.540 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.001 4.174 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.960 5.432 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.728 5.642 -4.134 1.00 0.00 H new ATOM 945 N VAL A 67 -3.364 10.213 -6.075 1.00 0.00 N ATOM 946 CA VAL A 67 -3.534 11.585 -5.613 1.00 0.00 C ATOM 947 C VAL A 67 -2.886 11.789 -4.248 1.00 0.00 C ATOM 948 O VAL A 67 -3.245 11.128 -3.273 1.00 0.00 O ATOM 949 CB VAL A 67 -5.023 11.967 -5.523 1.00 0.00 C ATOM 950 CG1 VAL A 67 -5.181 13.385 -4.996 1.00 0.00 C ATOM 951 CG2 VAL A 67 -5.694 11.817 -6.881 1.00 0.00 C ATOM 0 H VAL A 67 -4.203 9.637 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.045 12.228 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.512 11.289 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.240 13.636 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.738 13.455 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.678 14.081 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.746 12.091 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.204 12.470 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.613 10.782 -7.214 1.00 0.00 H new ATOM 961 N LEU A 68 -1.929 12.709 -4.185 1.00 0.00 N ATOM 962 CA LEU A 68 -1.230 13.000 -2.938 1.00 0.00 C ATOM 963 C LEU A 68 -2.199 13.017 -1.761 1.00 0.00 C ATOM 964 O LEU A 68 -2.235 12.082 -0.960 1.00 0.00 O ATOM 965 CB LEU A 68 -0.508 14.346 -3.039 1.00 0.00 C ATOM 966 CG LEU A 68 0.791 14.352 -3.845 1.00 0.00 C ATOM 967 CD1 LEU A 68 1.975 14.017 -2.952 1.00 0.00 C ATOM 968 CD2 LEU A 68 0.702 13.373 -5.007 1.00 0.00 C ATOM 0 H LEU A 68 -1.620 13.266 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.496 12.212 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.191 15.070 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.288 14.694 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 68 0.940 15.353 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.891 14.026 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.050 14.757 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.834 13.028 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.635 13.390 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.528 12.368 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.122 13.659 -5.661 1.00 0.00 H new ATOM 980 N HIS A 69 -2.984 14.084 -1.663 1.00 0.00 N ATOM 981 CA HIS A 69 -3.957 14.221 -0.584 1.00 0.00 C ATOM 982 C HIS A 69 -5.142 13.285 -0.800 1.00 0.00 C ATOM 983 O HIS A 69 -6.259 13.730 -1.066 1.00 0.00 O ATOM 984 CB HIS A 69 -4.445 15.667 -0.489 1.00 0.00 C ATOM 985 CG HIS A 69 -3.355 16.680 -0.662 1.00 0.00 C ATOM 986 ND1 HIS A 69 -3.503 17.824 -1.418 1.00 0.00 N ATOM 987 CD2 HIS A 69 -2.095 16.716 -0.169 1.00 0.00 C ATOM 988 CE1 HIS A 69 -2.381 18.519 -1.384 1.00 0.00 C ATOM 989 NE2 HIS A 69 -1.510 17.869 -0.633 1.00 0.00 N ATOM 0 H HIS A 69 -2.966 14.867 -2.317 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.467 13.949 0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.209 15.834 -1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.920 15.819 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.635 15.976 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.205 19.459 -1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.558 18.174 -0.431 1.00 0.00 H new ATOM 998 N THR A 70 -4.891 11.985 -0.683 1.00 0.00 N ATOM 999 CA THR A 70 -5.937 10.985 -0.867 1.00 0.00 C ATOM 1000 C THR A 70 -5.489 9.621 -0.354 1.00 0.00 C ATOM 1001 O THR A 70 -4.415 9.137 -0.707 1.00 0.00 O ATOM 1002 CB THR A 70 -6.338 10.858 -2.349 1.00 0.00 C ATOM 1003 OG1 THR A 70 -6.946 12.074 -2.799 1.00 0.00 O ATOM 1004 CG2 THR A 70 -7.302 9.698 -2.551 1.00 0.00 C ATOM 0 H THR A 70 -3.973 11.599 -0.462 1.00 0.00 H new ATOM 0 HA THR A 70 -6.800 11.320 -0.293 1.00 0.00 H new ATOM 0 HB THR A 70 -5.436 10.667 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.188 12.625 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.571 9.628 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.825 8.770 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.201 9.864 -1.957 1.00 0.00 H new ATOM 1012 N ASN A 71 -6.322 9.006 0.479 1.00 0.00 N ATOM 1013 CA ASN A 71 -6.011 7.696 1.041 1.00 0.00 C ATOM 1014 C ASN A 71 -6.393 6.583 0.069 1.00 0.00 C ATOM 1015 O ASN A 71 -7.565 6.413 -0.267 1.00 0.00 O ATOM 1016 CB ASN A 71 -6.744 7.501 2.369 1.00 0.00 C ATOM 1017 CG ASN A 71 -8.228 7.249 2.180 1.00 0.00 C ATOM 1018 OD1 ASN A 71 -8.914 8.005 1.493 1.00 0.00 O ATOM 1019 ND2 ASN A 71 -8.729 6.182 2.792 1.00 0.00 N ATOM 0 H ASN A 71 -7.217 9.393 0.780 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.936 7.649 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.301 6.662 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.605 8.385 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.721 5.961 2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.122 5.583 3.352 1.00 0.00 H new ATOM 1026 N TYR A 72 -5.395 5.829 -0.378 1.00 0.00 N ATOM 1027 CA TYR A 72 -5.625 4.734 -1.313 1.00 0.00 C ATOM 1028 C TYR A 72 -5.510 3.385 -0.611 1.00 0.00 C ATOM 1029 O TYR A 72 -4.479 3.066 -0.015 1.00 0.00 O ATOM 1030 CB TYR A 72 -4.627 4.806 -2.471 1.00 0.00 C ATOM 1031 CG TYR A 72 -4.955 5.876 -3.486 1.00 0.00 C ATOM 1032 CD1 TYR A 72 -5.790 5.608 -4.564 1.00 0.00 C ATOM 1033 CD2 TYR A 72 -4.428 7.157 -3.368 1.00 0.00 C ATOM 1034 CE1 TYR A 72 -6.091 6.583 -5.495 1.00 0.00 C ATOM 1035 CE2 TYR A 72 -4.725 8.139 -4.294 1.00 0.00 C ATOM 1036 CZ TYR A 72 -5.556 7.847 -5.355 1.00 0.00 C ATOM 1037 OH TYR A 72 -5.854 8.821 -6.280 1.00 0.00 O ATOM 0 H TYR A 72 -4.420 5.956 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.636 4.833 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -3.630 4.991 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.595 3.839 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.211 4.620 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.776 7.389 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.741 6.357 -6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.309 9.130 -4.187 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.459 9.479 -5.879 1.00 0.00 H new ATOM 1047 N THR A 73 -6.575 2.593 -0.684 1.00 0.00 N ATOM 1048 CA THR A 73 -6.597 1.279 -0.055 1.00 0.00 C ATOM 1049 C THR A 73 -6.205 0.190 -1.047 1.00 0.00 C ATOM 1050 O THR A 73 -6.837 0.030 -2.090 1.00 0.00 O ATOM 1051 CB THR A 73 -7.986 0.955 0.524 1.00 0.00 C ATOM 1052 OG1 THR A 73 -8.436 2.034 1.350 1.00 0.00 O ATOM 1053 CG2 THR A 73 -7.948 -0.330 1.337 1.00 0.00 C ATOM 0 H THR A 73 -7.435 2.840 -1.174 1.00 0.00 H new ATOM 0 HA THR A 73 -5.872 1.305 0.758 1.00 0.00 H new ATOM 0 HB THR A 73 -8.679 0.820 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.321 1.821 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.941 -0.538 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.633 -1.155 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.242 -0.219 2.160 1.00 0.00 H new ATOM 1061 N ALA A 74 -5.159 -0.559 -0.713 1.00 0.00 N ATOM 1062 CA ALA A 74 -4.685 -1.637 -1.574 1.00 0.00 C ATOM 1063 C ALA A 74 -5.070 -3.000 -1.009 1.00 0.00 C ATOM 1064 O ALA A 74 -5.156 -3.179 0.206 1.00 0.00 O ATOM 1065 CB ALA A 74 -3.177 -1.544 -1.753 1.00 0.00 C ATOM 0 H ALA A 74 -4.624 -0.440 0.147 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.163 -1.529 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.836 -2.354 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.923 -0.587 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.690 -1.624 -0.781 1.00 0.00 H new ATOM 1071 N THR A 75 -5.303 -3.960 -1.900 1.00 0.00 N ATOM 1072 CA THR A 75 -5.682 -5.306 -1.491 1.00 0.00 C ATOM 1073 C THR A 75 -4.862 -6.357 -2.232 1.00 0.00 C ATOM 1074 O THR A 75 -5.115 -6.643 -3.401 1.00 0.00 O ATOM 1075 CB THR A 75 -7.179 -5.570 -1.740 1.00 0.00 C ATOM 1076 OG1 THR A 75 -7.941 -4.401 -1.419 1.00 0.00 O ATOM 1077 CG2 THR A 75 -7.667 -6.745 -0.907 1.00 0.00 C ATOM 0 H THR A 75 -5.236 -3.829 -2.909 1.00 0.00 H new ATOM 0 HA THR A 75 -5.482 -5.379 -0.422 1.00 0.00 H new ATOM 0 HB THR A 75 -7.313 -5.813 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.834 -4.666 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.727 -6.912 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.104 -7.639 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.521 -6.527 0.151 1.00 0.00 H new ATOM 1085 N VAL A 76 -3.879 -6.928 -1.542 1.00 0.00 N ATOM 1086 CA VAL A 76 -3.023 -7.949 -2.136 1.00 0.00 C ATOM 1087 C VAL A 76 -3.551 -9.349 -1.840 1.00 0.00 C ATOM 1088 O VAL A 76 -3.967 -9.642 -0.718 1.00 0.00 O ATOM 1089 CB VAL A 76 -1.576 -7.838 -1.618 1.00 0.00 C ATOM 1090 CG1 VAL A 76 -0.642 -8.694 -2.460 1.00 0.00 C ATOM 1091 CG2 VAL A 76 -1.124 -6.386 -1.613 1.00 0.00 C ATOM 0 H VAL A 76 -3.656 -6.701 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.030 -7.781 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.544 -8.208 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.376 -8.604 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.958 -9.736 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.674 -8.356 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.100 -6.325 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.169 -5.987 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.778 -5.803 -0.964 1.00 0.00 H new ATOM 1101 N ARG A 77 -3.531 -10.209 -2.853 1.00 0.00 N ATOM 1102 CA ARG A 77 -4.009 -11.578 -2.701 1.00 0.00 C ATOM 1103 C ARG A 77 -3.084 -12.558 -3.417 1.00 0.00 C ATOM 1104 O ARG A 77 -2.202 -12.155 -4.175 1.00 0.00 O ATOM 1105 CB ARG A 77 -5.430 -11.709 -3.251 1.00 0.00 C ATOM 1106 CG ARG A 77 -6.509 -11.394 -2.228 1.00 0.00 C ATOM 1107 CD ARG A 77 -7.892 -11.754 -2.748 1.00 0.00 C ATOM 1108 NE ARG A 77 -8.804 -12.127 -1.669 1.00 0.00 N ATOM 1109 CZ ARG A 77 -10.126 -12.046 -1.764 1.00 0.00 C ATOM 1110 NH1 ARG A 77 -10.689 -11.609 -2.882 1.00 0.00 N ATOM 1111 NH2 ARG A 77 -10.888 -12.404 -0.738 1.00 0.00 N ATOM 0 H ARG A 77 -3.189 -9.982 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.015 -11.819 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.544 -11.040 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.576 -12.724 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.311 -11.943 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.477 -10.333 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.305 -10.907 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.810 -12.580 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.403 -12.468 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.106 -11.334 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.705 -11.548 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.458 -12.741 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.903 -12.342 -0.811 1.00 0.00 H new ATOM 1125 N GLY A 78 -3.290 -13.848 -3.169 1.00 0.00 N ATOM 1126 CA GLY A 78 -2.466 -14.865 -3.795 1.00 0.00 C ATOM 1127 C GLY A 78 -3.283 -15.854 -4.604 1.00 0.00 C ATOM 1128 O GLY A 78 -4.124 -16.570 -4.058 1.00 0.00 O ATOM 0 H GLY A 78 -4.013 -14.207 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.733 -14.386 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.909 -15.401 -3.027 1.00 0.00 H new ATOM 1132 N LEU A 79 -3.037 -15.895 -5.909 1.00 0.00 N ATOM 1133 CA LEU A 79 -3.757 -16.802 -6.797 1.00 0.00 C ATOM 1134 C LEU A 79 -3.097 -18.177 -6.819 1.00 0.00 C ATOM 1135 O LEU A 79 -2.059 -18.369 -7.452 1.00 0.00 O ATOM 1136 CB LEU A 79 -3.811 -16.227 -8.212 1.00 0.00 C ATOM 1137 CG LEU A 79 -4.944 -15.239 -8.493 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -6.291 -15.941 -8.430 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -4.898 -14.080 -7.507 1.00 0.00 C ATOM 0 H LEU A 79 -2.344 -15.310 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.773 -16.912 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.863 -15.729 -8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.895 -17.055 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.812 -14.840 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.085 -15.223 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.322 -16.736 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.433 -16.368 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.711 -13.387 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.005 -14.462 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.944 -13.560 -7.600 1.00 0.00 H new ATOM 1151 N ARG A 80 -3.709 -19.132 -6.126 1.00 0.00 N ATOM 1152 CA ARG A 80 -3.183 -20.490 -6.067 1.00 0.00 C ATOM 1153 C ARG A 80 -4.212 -21.495 -6.577 1.00 0.00 C ATOM 1154 O ARG A 80 -5.103 -21.915 -5.840 1.00 0.00 O ATOM 1155 CB ARG A 80 -2.777 -20.842 -4.634 1.00 0.00 C ATOM 1156 CG ARG A 80 -1.371 -20.394 -4.272 1.00 0.00 C ATOM 1157 CD ARG A 80 -0.862 -21.107 -3.029 1.00 0.00 C ATOM 1158 NE ARG A 80 -0.575 -22.515 -3.284 1.00 0.00 N ATOM 1159 CZ ARG A 80 0.189 -23.265 -2.498 1.00 0.00 C ATOM 1160 NH1 ARG A 80 0.740 -22.742 -1.412 1.00 0.00 N ATOM 1161 NH2 ARG A 80 0.403 -24.539 -2.797 1.00 0.00 N ATOM 0 H ARG A 80 -4.570 -18.990 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.303 -20.539 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.484 -20.385 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.851 -21.921 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.699 -20.591 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.363 -19.317 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.041 -20.612 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.605 -21.027 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.984 -22.947 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.578 -21.762 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.327 -23.319 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.019 -24.945 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.990 -25.113 -2.192 1.00 0.00 H new ATOM 1175 N GLY A 81 -4.082 -21.876 -7.845 1.00 0.00 N ATOM 1176 CA GLY A 81 -5.007 -22.828 -8.431 1.00 0.00 C ATOM 1177 C GLY A 81 -6.440 -22.335 -8.404 1.00 0.00 C ATOM 1178 O GLY A 81 -6.707 -21.133 -8.423 1.00 0.00 O ATOM 0 H GLY A 81 -3.353 -21.542 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.714 -23.028 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.941 -23.773 -7.892 1.00 0.00 H new ATOM 1182 N PRO A 82 -7.394 -23.277 -8.361 1.00 0.00 N ATOM 1183 CA PRO A 82 -8.824 -22.956 -8.332 1.00 0.00 C ATOM 1184 C PRO A 82 -9.249 -22.326 -7.010 1.00 0.00 C ATOM 1185 O PRO A 82 -10.429 -22.057 -6.792 1.00 0.00 O ATOM 1186 CB PRO A 82 -9.498 -24.318 -8.516 1.00 0.00 C ATOM 1187 CG PRO A 82 -8.500 -25.305 -8.013 1.00 0.00 C ATOM 1188 CD PRO A 82 -7.149 -24.729 -8.336 1.00 0.00 C ATOM 0 HA PRO A 82 -9.093 -22.226 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.431 -24.377 -7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.743 -24.501 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.612 -25.460 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.635 -26.275 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.407 -24.998 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.777 -25.090 -9.295 1.00 0.00 H new ATOM 1196 N ASN A 83 -8.280 -22.092 -6.132 1.00 0.00 N ATOM 1197 CA ASN A 83 -8.555 -21.493 -4.831 1.00 0.00 C ATOM 1198 C ASN A 83 -7.831 -20.158 -4.683 1.00 0.00 C ATOM 1199 O ASN A 83 -7.069 -19.752 -5.561 1.00 0.00 O ATOM 1200 CB ASN A 83 -8.131 -22.443 -3.708 1.00 0.00 C ATOM 1201 CG ASN A 83 -9.104 -23.590 -3.523 1.00 0.00 C ATOM 1202 OD1 ASN A 83 -9.721 -23.731 -2.468 1.00 0.00 O ATOM 1203 ND2 ASN A 83 -9.246 -24.418 -4.553 1.00 0.00 N ATOM 0 H ASN A 83 -7.297 -22.308 -6.297 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.628 -21.314 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.141 -22.842 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.050 -21.885 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.887 -25.209 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.714 -24.263 -5.409 1.00 0.00 H new ATOM 1210 N LEU A 84 -8.075 -19.479 -3.567 1.00 0.00 N ATOM 1211 CA LEU A 84 -7.447 -18.189 -3.303 1.00 0.00 C ATOM 1212 C LEU A 84 -6.797 -18.173 -1.924 1.00 0.00 C ATOM 1213 O LEU A 84 -7.103 -19.008 -1.071 1.00 0.00 O ATOM 1214 CB LEU A 84 -8.481 -17.067 -3.406 1.00 0.00 C ATOM 1215 CG LEU A 84 -8.703 -16.485 -4.803 1.00 0.00 C ATOM 1216 CD1 LEU A 84 -10.130 -15.981 -4.950 1.00 0.00 C ATOM 1217 CD2 LEU A 84 -7.709 -15.366 -5.080 1.00 0.00 C ATOM 0 H LEU A 84 -8.703 -19.800 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.671 -18.029 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.434 -17.444 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.178 -16.258 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.541 -17.276 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.270 -15.570 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.825 -16.806 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.320 -15.204 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.882 -14.964 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.838 -14.574 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.694 -15.758 -5.018 1.00 0.00 H new ATOM 1229 N THR A 85 -5.901 -17.215 -1.709 1.00 0.00 N ATOM 1230 CA THR A 85 -5.208 -17.088 -0.432 1.00 0.00 C ATOM 1231 C THR A 85 -5.785 -15.946 0.395 1.00 0.00 C ATOM 1232 O THR A 85 -6.639 -15.195 -0.076 1.00 0.00 O ATOM 1233 CB THR A 85 -3.700 -16.851 -0.633 1.00 0.00 C ATOM 1234 OG1 THR A 85 -3.477 -15.547 -1.182 1.00 0.00 O ATOM 1235 CG2 THR A 85 -3.104 -17.904 -1.556 1.00 0.00 C ATOM 0 H THR A 85 -5.638 -16.515 -2.403 1.00 0.00 H new ATOM 0 HA THR A 85 -5.352 -18.028 0.101 1.00 0.00 H new ATOM 0 HB THR A 85 -3.211 -16.924 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.668 -14.868 -0.501 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.038 -17.715 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.248 -18.893 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.598 -17.859 -2.526 1.00 0.00 H new ATOM 1243 N SER A 86 -5.313 -15.819 1.631 1.00 0.00 N ATOM 1244 CA SER A 86 -5.784 -14.769 2.526 1.00 0.00 C ATOM 1245 C SER A 86 -5.351 -13.393 2.026 1.00 0.00 C ATOM 1246 O SER A 86 -4.163 -13.109 1.868 1.00 0.00 O ATOM 1247 CB SER A 86 -5.254 -14.999 3.942 1.00 0.00 C ATOM 1248 OG SER A 86 -3.844 -14.861 3.988 1.00 0.00 O ATOM 0 H SER A 86 -4.604 -16.431 2.036 1.00 0.00 H new ATOM 0 HA SER A 86 -6.873 -14.804 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.715 -14.286 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.536 -15.995 4.282 1.00 0.00 H new ATOM 0 HG SER A 86 -3.544 -14.314 3.232 1.00 0.00 H new ATOM 1254 N PRO A 87 -6.335 -12.519 1.771 1.00 0.00 N ATOM 1255 CA PRO A 87 -6.081 -11.160 1.287 1.00 0.00 C ATOM 1256 C PRO A 87 -5.438 -10.276 2.349 1.00 0.00 C ATOM 1257 O PRO A 87 -5.652 -10.472 3.545 1.00 0.00 O ATOM 1258 CB PRO A 87 -7.478 -10.642 0.933 1.00 0.00 C ATOM 1259 CG PRO A 87 -8.403 -11.434 1.791 1.00 0.00 C ATOM 1260 CD PRO A 87 -7.773 -12.792 1.938 1.00 0.00 C ATOM 0 HA PRO A 87 -5.383 -11.150 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.567 -9.574 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.698 -10.786 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.537 -10.959 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.390 -11.509 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.988 -13.232 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.140 -13.489 1.185 1.00 0.00 H new ATOM 1268 N ALA A 88 -4.650 -9.302 1.906 1.00 0.00 N ATOM 1269 CA ALA A 88 -3.979 -8.387 2.820 1.00 0.00 C ATOM 1270 C ALA A 88 -4.117 -6.943 2.350 1.00 0.00 C ATOM 1271 O ALA A 88 -3.615 -6.574 1.289 1.00 0.00 O ATOM 1272 CB ALA A 88 -2.510 -8.760 2.956 1.00 0.00 C ATOM 0 H ALA A 88 -4.461 -9.127 0.919 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.457 -8.472 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.021 -8.068 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.427 -9.775 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.029 -8.704 1.980 1.00 0.00 H new ATOM 1278 N SER A 89 -4.803 -6.130 3.148 1.00 0.00 N ATOM 1279 CA SER A 89 -5.012 -4.727 2.811 1.00 0.00 C ATOM 1280 C SER A 89 -4.316 -3.817 3.820 1.00 0.00 C ATOM 1281 O SER A 89 -4.059 -4.214 4.956 1.00 0.00 O ATOM 1282 CB SER A 89 -6.508 -4.408 2.767 1.00 0.00 C ATOM 1283 OG SER A 89 -6.729 -3.013 2.642 1.00 0.00 O ATOM 0 H SER A 89 -5.223 -6.419 4.031 1.00 0.00 H new ATOM 0 HA SER A 89 -4.580 -4.547 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.970 -4.929 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.988 -4.776 3.674 1.00 0.00 H new ATOM 0 HG SER A 89 -6.300 -2.686 1.824 1.00 0.00 H new ATOM 1289 N ILE A 90 -4.014 -2.595 3.393 1.00 0.00 N ATOM 1290 CA ILE A 90 -3.349 -1.628 4.258 1.00 0.00 C ATOM 1291 C ILE A 90 -3.709 -0.199 3.864 1.00 0.00 C ATOM 1292 O ILE A 90 -4.036 0.075 2.709 1.00 0.00 O ATOM 1293 CB ILE A 90 -1.818 -1.791 4.212 1.00 0.00 C ATOM 1294 CG1 ILE A 90 -1.157 -0.904 5.269 1.00 0.00 C ATOM 1295 CG2 ILE A 90 -1.291 -1.455 2.826 1.00 0.00 C ATOM 1296 CD1 ILE A 90 0.304 -1.223 5.497 1.00 0.00 C ATOM 0 H ILE A 90 -4.219 -2.252 2.455 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.696 -1.821 5.273 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.571 -2.830 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.250 0.139 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.695 -1.012 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.208 -1.575 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.741 -2.125 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.546 -0.424 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.708 -0.556 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.403 -2.256 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.856 -1.087 4.567 1.00 0.00 H new ATOM 1308 N THR A 91 -3.644 0.710 4.832 1.00 0.00 N ATOM 1309 CA THR A 91 -3.961 2.111 4.587 1.00 0.00 C ATOM 1310 C THR A 91 -2.702 2.971 4.601 1.00 0.00 C ATOM 1311 O THR A 91 -2.068 3.144 5.642 1.00 0.00 O ATOM 1312 CB THR A 91 -4.952 2.654 5.634 1.00 0.00 C ATOM 1313 OG1 THR A 91 -5.900 1.639 5.983 1.00 0.00 O ATOM 1314 CG2 THR A 91 -5.683 3.878 5.104 1.00 0.00 C ATOM 0 H THR A 91 -3.375 0.500 5.793 1.00 0.00 H new ATOM 0 HA THR A 91 -4.421 2.163 3.600 1.00 0.00 H new ATOM 0 HB THR A 91 -4.388 2.944 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.526 1.991 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.377 4.243 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.961 4.659 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.236 3.610 4.204 1.00 0.00 H new ATOM 1322 N PHE A 92 -2.346 3.508 3.439 1.00 0.00 N ATOM 1323 CA PHE A 92 -1.162 4.351 3.318 1.00 0.00 C ATOM 1324 C PHE A 92 -1.488 5.643 2.574 1.00 0.00 C ATOM 1325 O PHE A 92 -2.076 5.620 1.492 1.00 0.00 O ATOM 1326 CB PHE A 92 -0.047 3.598 2.590 1.00 0.00 C ATOM 1327 CG PHE A 92 -0.385 3.252 1.168 1.00 0.00 C ATOM 1328 CD1 PHE A 92 -0.166 4.164 0.148 1.00 0.00 C ATOM 1329 CD2 PHE A 92 -0.923 2.015 0.852 1.00 0.00 C ATOM 1330 CE1 PHE A 92 -0.477 3.848 -1.161 1.00 0.00 C ATOM 1331 CE2 PHE A 92 -1.234 1.693 -0.456 1.00 0.00 C ATOM 1332 CZ PHE A 92 -1.012 2.612 -1.463 1.00 0.00 C ATOM 0 H PHE A 92 -2.860 3.375 2.568 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.824 4.606 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.858 4.205 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.177 2.681 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.252 5.133 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.101 1.294 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.302 4.568 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.650 0.724 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.257 2.364 -2.485 1.00 0.00 H new ATOM 1342 N THR A 93 -1.101 6.771 3.162 1.00 0.00 N ATOM 1343 CA THR A 93 -1.353 8.074 2.557 1.00 0.00 C ATOM 1344 C THR A 93 -0.260 8.436 1.558 1.00 0.00 C ATOM 1345 O THR A 93 0.912 8.121 1.763 1.00 0.00 O ATOM 1346 CB THR A 93 -1.444 9.180 3.625 1.00 0.00 C ATOM 1347 OG1 THR A 93 -2.265 8.743 4.714 1.00 0.00 O ATOM 1348 CG2 THR A 93 -2.017 10.458 3.032 1.00 0.00 C ATOM 0 H THR A 93 -0.612 6.809 4.056 1.00 0.00 H new ATOM 0 HA THR A 93 -2.308 8.002 2.036 1.00 0.00 H new ATOM 0 HB THR A 93 -0.438 9.387 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.316 9.451 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.072 11.225 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.374 10.804 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.016 10.263 2.643 1.00 0.00 H new ATOM 1356 N THR A 94 -0.652 9.101 0.475 1.00 0.00 N ATOM 1357 CA THR A 94 0.294 9.506 -0.557 1.00 0.00 C ATOM 1358 C THR A 94 0.700 10.965 -0.387 1.00 0.00 C ATOM 1359 O THR A 94 1.118 11.618 -1.344 1.00 0.00 O ATOM 1360 CB THR A 94 -0.294 9.307 -1.966 1.00 0.00 C ATOM 1361 OG1 THR A 94 -1.650 9.766 -2.001 1.00 0.00 O ATOM 1362 CG2 THR A 94 -0.238 7.843 -2.375 1.00 0.00 C ATOM 0 H THR A 94 -1.618 9.370 0.290 1.00 0.00 H new ATOM 0 HA THR A 94 1.174 8.873 -0.447 1.00 0.00 H new ATOM 0 HB THR A 94 0.304 9.887 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.889 10.009 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.659 7.728 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.798 7.505 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.813 7.245 -1.668 1.00 0.00 H new ATOM 1370 N GLY A 95 0.574 11.472 0.835 1.00 0.00 N ATOM 1371 CA GLY A 95 0.931 12.853 1.106 1.00 0.00 C ATOM 1372 C GLY A 95 1.470 13.046 2.510 1.00 0.00 C ATOM 1373 O GLY A 95 1.023 13.935 3.237 1.00 0.00 O ATOM 0 H GLY A 95 0.231 10.952 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.679 13.180 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.055 13.486 0.966 1.00 0.00 H new ATOM 1377 N LEU A 96 2.431 12.214 2.893 1.00 0.00 N ATOM 1378 CA LEU A 96 3.031 12.296 4.221 1.00 0.00 C ATOM 1379 C LEU A 96 4.427 12.906 4.150 1.00 0.00 C ATOM 1380 O LEU A 96 5.240 12.724 5.057 1.00 0.00 O ATOM 1381 CB LEU A 96 3.100 10.907 4.858 1.00 0.00 C ATOM 1382 CG LEU A 96 4.211 9.990 4.348 1.00 0.00 C ATOM 1383 CD1 LEU A 96 4.652 9.029 5.441 1.00 0.00 C ATOM 1384 CD2 LEU A 96 3.746 9.224 3.118 1.00 0.00 C ATOM 0 H LEU A 96 2.812 11.474 2.303 1.00 0.00 H new ATOM 0 HA LEU A 96 2.404 12.940 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.222 11.028 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.144 10.409 4.700 1.00 0.00 H new ATOM 0 HG LEU A 96 5.065 10.606 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.444 8.384 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.024 9.595 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.804 8.419 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.549 8.576 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.876 8.618 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.479 9.928 2.330 1.00 0.00 H new ATOM 1396 N GLU A 97 4.697 13.631 3.070 1.00 0.00 N ATOM 1397 CA GLU A 97 5.995 14.270 2.883 1.00 0.00 C ATOM 1398 C GLU A 97 6.479 14.910 4.182 1.00 0.00 C ATOM 1399 O GLU A 97 6.167 16.066 4.469 1.00 0.00 O ATOM 1400 CB GLU A 97 5.916 15.325 1.779 1.00 0.00 C ATOM 1401 CG GLU A 97 7.271 15.873 1.362 1.00 0.00 C ATOM 1402 CD GLU A 97 7.192 17.302 0.861 1.00 0.00 C ATOM 1403 OE1 GLU A 97 6.271 18.031 1.284 1.00 0.00 O ATOM 1404 OE2 GLU A 97 8.054 17.692 0.044 1.00 0.00 O ATOM 0 H GLU A 97 4.035 13.791 2.311 1.00 0.00 H new ATOM 0 HA GLU A 97 6.710 13.502 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.425 14.891 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.290 16.149 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.954 15.826 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.690 15.240 0.580 1.00 0.00 H new ATOM 1411 N ALA A 98 7.239 14.150 4.963 1.00 0.00 N ATOM 1412 CA ALA A 98 7.766 14.643 6.229 1.00 0.00 C ATOM 1413 C ALA A 98 8.745 13.646 6.841 1.00 0.00 C ATOM 1414 O ALA A 98 8.847 12.496 6.413 1.00 0.00 O ATOM 1415 CB ALA A 98 6.629 14.932 7.197 1.00 0.00 C ATOM 0 H ALA A 98 7.504 13.190 4.741 1.00 0.00 H new ATOM 0 HA ALA A 98 8.306 15.569 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.037 15.300 8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.969 15.686 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.065 14.017 7.379 1.00 0.00 H new ATOM 1421 N PRO A 99 9.483 14.095 7.867 1.00 0.00 N ATOM 1422 CA PRO A 99 10.466 13.257 8.561 1.00 0.00 C ATOM 1423 C PRO A 99 9.811 12.156 9.386 1.00 0.00 C ATOM 1424 O PRO A 99 8.585 12.053 9.440 1.00 0.00 O ATOM 1425 CB PRO A 99 11.195 14.247 9.474 1.00 0.00 C ATOM 1426 CG PRO A 99 10.214 15.346 9.699 1.00 0.00 C ATOM 1427 CD PRO A 99 9.414 15.453 8.431 1.00 0.00 C ATOM 0 HA PRO A 99 11.122 12.737 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.487 13.778 10.414 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.107 14.619 9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.569 15.125 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.723 16.284 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.385 15.754 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.837 16.192 7.751 1.00 0.00 H new ATOM 1435 N ARG A 100 10.634 11.333 10.028 1.00 0.00 N ATOM 1436 CA ARG A 100 10.134 10.238 10.850 1.00 0.00 C ATOM 1437 C ARG A 100 8.983 10.706 11.735 1.00 0.00 C ATOM 1438 O ARG A 100 8.955 11.853 12.181 1.00 0.00 O ATOM 1439 CB ARG A 100 11.259 9.668 11.717 1.00 0.00 C ATOM 1440 CG ARG A 100 11.844 10.673 12.695 1.00 0.00 C ATOM 1441 CD ARG A 100 12.866 10.026 13.616 1.00 0.00 C ATOM 1442 NE ARG A 100 14.163 9.863 12.965 1.00 0.00 N ATOM 1443 CZ ARG A 100 15.309 9.755 13.627 1.00 0.00 C ATOM 1444 NH1 ARG A 100 15.319 9.791 14.952 1.00 0.00 N ATOM 1445 NH2 ARG A 100 16.449 9.610 12.963 1.00 0.00 N ATOM 0 H ARG A 100 11.651 11.404 9.994 1.00 0.00 H new ATOM 0 HA ARG A 100 9.765 9.456 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.879 8.811 12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.054 9.299 11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.314 11.487 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.043 11.112 13.290 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.984 10.636 14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.498 9.052 13.939 1.00 0.00 H new ATOM 0 HE ARG A 100 14.190 9.830 11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.445 9.902 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.201 9.708 15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.445 9.581 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.329 9.527 13.472 1.00 0.00 H new ATOM 1459 N ASP A 101 8.034 9.809 11.984 1.00 0.00 N ATOM 1460 CA ASP A 101 6.879 10.130 12.816 1.00 0.00 C ATOM 1461 C ASP A 101 6.345 11.521 12.493 1.00 0.00 C ATOM 1462 O ASP A 101 5.772 12.192 13.350 1.00 0.00 O ATOM 1463 CB ASP A 101 7.252 10.044 14.297 1.00 0.00 C ATOM 1464 CG ASP A 101 7.037 8.657 14.868 1.00 0.00 C ATOM 1465 OD1 ASP A 101 5.929 8.107 14.692 1.00 0.00 O ATOM 1466 OD2 ASP A 101 7.976 8.120 15.492 1.00 0.00 O ATOM 0 H ASP A 101 8.042 8.855 11.622 1.00 0.00 H new ATOM 0 HA ASP A 101 6.096 9.403 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.297 10.328 14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.657 10.762 14.861 1.00 0.00 H new ATOM 1471 N LEU A 102 6.538 11.949 11.249 1.00 0.00 N ATOM 1472 CA LEU A 102 6.077 13.262 10.812 1.00 0.00 C ATOM 1473 C LEU A 102 6.290 14.305 11.904 1.00 0.00 C ATOM 1474 O LEU A 102 5.401 15.105 12.192 1.00 0.00 O ATOM 1475 CB LEU A 102 4.597 13.203 10.429 1.00 0.00 C ATOM 1476 CG LEU A 102 4.279 12.560 9.078 1.00 0.00 C ATOM 1477 CD1 LEU A 102 4.159 11.051 9.221 1.00 0.00 C ATOM 1478 CD2 LEU A 102 3.001 13.147 8.497 1.00 0.00 C ATOM 0 H LEU A 102 7.010 11.406 10.526 1.00 0.00 H new ATOM 0 HA LEU A 102 6.661 13.553 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.063 12.654 11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.202 14.219 10.428 1.00 0.00 H new ATOM 0 HG LEU A 102 5.098 12.775 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.933 10.610 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.099 10.645 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.359 10.814 9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.790 12.678 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.172 12.963 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.124 14.221 8.358 1.00 0.00 H new ATOM 1490 N GLU A 103 7.475 14.292 12.506 1.00 0.00 N ATOM 1491 CA GLU A 103 7.804 15.238 13.566 1.00 0.00 C ATOM 1492 C GLU A 103 8.835 16.256 13.084 1.00 0.00 C ATOM 1493 O GLU A 103 10.017 15.941 12.951 1.00 0.00 O ATOM 1494 CB GLU A 103 8.336 14.498 14.794 1.00 0.00 C ATOM 1495 CG GLU A 103 7.248 14.064 15.762 1.00 0.00 C ATOM 1496 CD GLU A 103 7.679 12.907 16.642 1.00 0.00 C ATOM 1497 OE1 GLU A 103 8.887 12.808 16.940 1.00 0.00 O ATOM 1498 OE2 GLU A 103 6.808 12.103 17.035 1.00 0.00 O ATOM 0 H GLU A 103 8.223 13.637 12.278 1.00 0.00 H new ATOM 0 HA GLU A 103 6.893 15.770 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.890 13.619 14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.041 15.142 15.319 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.968 14.909 16.391 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.360 13.777 15.200 1.00 0.00 H new ATOM 1505 N ALA A 104 8.378 17.476 12.827 1.00 0.00 N ATOM 1506 CA ALA A 104 9.259 18.541 12.363 1.00 0.00 C ATOM 1507 C ALA A 104 10.636 18.434 13.011 1.00 0.00 C ATOM 1508 O ALA A 104 11.602 18.012 12.374 1.00 0.00 O ATOM 1509 CB ALA A 104 8.641 19.901 12.651 1.00 0.00 C ATOM 0 H ALA A 104 7.402 17.752 12.932 1.00 0.00 H new ATOM 0 HA ALA A 104 9.384 18.433 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.310 20.686 12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.684 19.982 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.486 20.010 13.724 1.00 0.00 H new ATOM 1515 N LYS A 105 10.719 18.821 14.280 1.00 0.00 N ATOM 1516 CA LYS A 105 11.977 18.770 15.014 1.00 0.00 C ATOM 1517 C LYS A 105 11.768 19.145 16.478 1.00 0.00 C ATOM 1518 O LYS A 105 10.831 19.868 16.814 1.00 0.00 O ATOM 1519 CB LYS A 105 13.003 19.709 14.377 1.00 0.00 C ATOM 1520 CG LYS A 105 12.749 21.178 14.674 1.00 0.00 C ATOM 1521 CD LYS A 105 11.761 21.783 13.691 1.00 0.00 C ATOM 1522 CE LYS A 105 11.059 22.996 14.282 1.00 0.00 C ATOM 1523 NZ LYS A 105 10.551 23.912 13.224 1.00 0.00 N ATOM 0 H LYS A 105 9.929 19.173 14.821 1.00 0.00 H new ATOM 0 HA LYS A 105 12.353 17.748 14.969 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.998 19.442 14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 105 12.999 19.559 13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.365 21.284 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.690 21.727 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.284 22.072 12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.021 21.034 13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.229 22.667 14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.750 23.536 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.079 24.726 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.346 24.247 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.872 23.404 12.622 1.00 0.00 H new ATOM 1537 N GLU A 106 12.649 18.650 17.342 1.00 0.00 N ATOM 1538 CA GLU A 106 12.559 18.936 18.769 1.00 0.00 C ATOM 1539 C GLU A 106 11.103 18.979 19.225 1.00 0.00 C ATOM 1540 O GLU A 106 10.705 19.863 19.984 1.00 0.00 O ATOM 1541 CB GLU A 106 13.245 20.264 19.091 1.00 0.00 C ATOM 1542 CG GLU A 106 13.571 20.441 20.564 1.00 0.00 C ATOM 1543 CD GLU A 106 14.432 21.661 20.829 1.00 0.00 C ATOM 1544 OE1 GLU A 106 13.991 22.782 20.499 1.00 0.00 O ATOM 1545 OE2 GLU A 106 15.548 21.495 21.365 1.00 0.00 O ATOM 0 H GLU A 106 13.431 18.050 17.079 1.00 0.00 H new ATOM 0 HA GLU A 106 13.066 18.135 19.306 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.166 20.337 18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.601 21.083 18.769 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.643 20.526 21.130 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.086 19.552 20.928 1.00 0.00 H new ATOM 1552 N VAL A 107 10.313 18.018 18.757 1.00 0.00 N ATOM 1553 CA VAL A 107 8.902 17.944 19.116 1.00 0.00 C ATOM 1554 C VAL A 107 8.724 17.846 20.627 1.00 0.00 C ATOM 1555 O VAL A 107 7.841 18.482 21.203 1.00 0.00 O ATOM 1556 CB VAL A 107 8.215 16.739 18.449 1.00 0.00 C ATOM 1557 CG1 VAL A 107 8.895 15.442 18.858 1.00 0.00 C ATOM 1558 CG2 VAL A 107 6.735 16.708 18.800 1.00 0.00 C ATOM 0 H VAL A 107 10.627 17.279 18.128 1.00 0.00 H new ATOM 0 HA VAL A 107 8.436 18.862 18.757 1.00 0.00 H new ATOM 0 HB VAL A 107 8.307 16.844 17.368 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.395 14.602 18.376 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.941 15.467 18.551 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.837 15.327 19.940 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.265 15.850 18.320 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.619 16.628 19.881 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.259 17.624 18.451 1.00 0.00 H new ATOM 1568 N THR A 108 9.569 17.041 21.265 1.00 0.00 N ATOM 1569 CA THR A 108 9.506 16.857 22.710 1.00 0.00 C ATOM 1570 C THR A 108 10.857 17.131 23.359 1.00 0.00 C ATOM 1571 O THR A 108 11.629 16.216 23.652 1.00 0.00 O ATOM 1572 CB THR A 108 9.052 15.431 23.075 1.00 0.00 C ATOM 1573 OG1 THR A 108 9.941 14.470 22.494 1.00 0.00 O ATOM 1574 CG2 THR A 108 7.633 15.174 22.592 1.00 0.00 C ATOM 0 H THR A 108 10.305 16.506 20.804 1.00 0.00 H new ATOM 0 HA THR A 108 8.774 17.571 23.088 1.00 0.00 H new ATOM 0 HB THR A 108 9.072 15.334 24.160 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.866 14.699 22.723 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.335 14.161 22.861 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.955 15.888 23.059 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.591 15.289 21.509 1.00 0.00 H new ATOM 1582 N PRO A 109 11.154 18.418 23.592 1.00 0.00 N ATOM 1583 CA PRO A 109 12.414 18.840 24.211 1.00 0.00 C ATOM 1584 C PRO A 109 12.495 18.454 25.684 1.00 0.00 C ATOM 1585 O PRO A 109 11.496 18.500 26.403 1.00 0.00 O ATOM 1586 CB PRO A 109 12.390 20.364 24.057 1.00 0.00 C ATOM 1587 CG PRO A 109 10.945 20.713 23.969 1.00 0.00 C ATOM 1588 CD PRO A 109 10.282 19.559 23.268 1.00 0.00 C ATOM 0 HA PRO A 109 13.277 18.364 23.746 1.00 0.00 H new ATOM 0 HB2 PRO A 109 12.865 20.855 24.906 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.929 20.680 23.164 1.00 0.00 H new ATOM 0 HG2 PRO A 109 10.519 20.864 24.961 1.00 0.00 H new ATOM 0 HG3 PRO A 109 10.801 21.641 23.415 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.265 19.402 23.626 1.00 0.00 H new ATOM 0 HD3 PRO A 109 10.219 19.724 22.192 1.00 0.00 H new ATOM 1596 N SER A 110 13.688 18.075 26.127 1.00 0.00 N ATOM 1597 CA SER A 110 13.899 17.678 27.513 1.00 0.00 C ATOM 1598 C SER A 110 14.527 18.813 28.315 1.00 0.00 C ATOM 1599 O SER A 110 15.469 18.603 29.079 1.00 0.00 O ATOM 1600 CB SER A 110 14.790 16.436 27.582 1.00 0.00 C ATOM 1601 OG SER A 110 16.079 16.705 27.057 1.00 0.00 O ATOM 0 H SER A 110 14.525 18.034 25.545 1.00 0.00 H new ATOM 0 HA SER A 110 12.927 17.444 27.948 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.877 16.104 28.616 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.329 15.622 27.023 1.00 0.00 H new ATOM 0 HG SER A 110 16.630 15.897 27.114 1.00 0.00 H new ATOM 1607 N GLY A 111 13.998 20.020 28.135 1.00 0.00 N ATOM 1608 CA GLY A 111 14.519 21.172 28.847 1.00 0.00 C ATOM 1609 C GLY A 111 16.025 21.122 29.007 1.00 0.00 C ATOM 1610 O GLY A 111 16.548 20.682 30.031 1.00 0.00 O ATOM 0 H GLY A 111 13.218 20.220 27.509 1.00 0.00 H new ATOM 0 HA2 GLY A 111 14.244 22.081 28.312 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.054 21.228 29.831 1.00 0.00 H new ATOM 1614 N PRO A 112 16.750 21.581 27.976 1.00 0.00 N ATOM 1615 CA PRO A 112 18.215 21.596 27.982 1.00 0.00 C ATOM 1616 C PRO A 112 18.780 22.620 28.960 1.00 0.00 C ATOM 1617 O PRO A 112 18.034 23.375 29.583 1.00 0.00 O ATOM 1618 CB PRO A 112 18.573 21.978 26.544 1.00 0.00 C ATOM 1619 CG PRO A 112 17.389 22.732 26.046 1.00 0.00 C ATOM 1620 CD PRO A 112 16.193 22.120 26.724 1.00 0.00 C ATOM 0 HA PRO A 112 18.630 20.639 28.299 1.00 0.00 H new ATOM 0 HB2 PRO A 112 19.475 22.589 26.510 1.00 0.00 H new ATOM 0 HB3 PRO A 112 18.764 21.094 25.935 1.00 0.00 H new ATOM 0 HG2 PRO A 112 17.473 23.792 26.285 1.00 0.00 H new ATOM 0 HG3 PRO A 112 17.305 22.655 24.962 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.417 22.861 26.916 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.743 21.337 26.114 1.00 0.00 H new ATOM 1628 N SER A 113 20.102 22.640 29.091 1.00 0.00 N ATOM 1629 CA SER A 113 20.767 23.570 29.997 1.00 0.00 C ATOM 1630 C SER A 113 22.131 23.981 29.450 1.00 0.00 C ATOM 1631 O SER A 113 22.603 23.433 28.454 1.00 0.00 O ATOM 1632 CB SER A 113 20.930 22.938 31.381 1.00 0.00 C ATOM 1633 OG SER A 113 21.662 21.727 31.306 1.00 0.00 O ATOM 0 H SER A 113 20.734 22.023 28.581 1.00 0.00 H new ATOM 0 HA SER A 113 20.146 24.461 30.083 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.442 23.635 32.045 1.00 0.00 H new ATOM 0 HB3 SER A 113 19.948 22.747 31.815 1.00 0.00 H new ATOM 0 HG SER A 113 21.754 21.344 32.203 1.00 0.00 H new ATOM 1639 N SER A 114 22.759 24.950 30.109 1.00 0.00 N ATOM 1640 CA SER A 114 24.067 25.438 29.687 1.00 0.00 C ATOM 1641 C SER A 114 25.140 25.063 30.704 1.00 0.00 C ATOM 1642 O SER A 114 24.958 25.235 31.908 1.00 0.00 O ATOM 1643 CB SER A 114 24.031 26.956 29.502 1.00 0.00 C ATOM 1644 OG SER A 114 25.056 27.386 28.622 1.00 0.00 O ATOM 0 H SER A 114 22.383 25.412 30.937 1.00 0.00 H new ATOM 0 HA SER A 114 24.314 24.968 28.735 1.00 0.00 H new ATOM 0 HB2 SER A 114 23.060 27.255 29.108 1.00 0.00 H new ATOM 0 HB3 SER A 114 24.147 27.446 30.468 1.00 0.00 H new ATOM 0 HG SER A 114 25.011 28.359 28.518 1.00 0.00 H new ATOM 1650 N GLY A 115 26.261 24.548 30.209 1.00 0.00 N ATOM 1651 CA GLY A 115 27.349 24.156 31.087 1.00 0.00 C ATOM 1652 C GLY A 115 27.418 22.656 31.288 1.00 0.00 C ATOM 1653 O GLY A 115 28.300 22.157 31.989 1.00 0.00 O ATOM 0 H GLY A 115 26.436 24.395 29.216 1.00 0.00 H new ATOM 0 HA2 GLY A 115 28.293 24.508 30.670 1.00 0.00 H new ATOM 0 HA3 GLY A 115 27.226 24.644 32.054 1.00 0.00 H new TER 1657 GLY A 115