USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.502 X(o=-1.6,f=-1.1) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.545 USER MOD Set 1.3: A 54 GLN : amide:sc= -0.551 K(o=-1.6,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0461) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.352 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 4:sc= -0.776 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00467 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.225 K(o=-0.22,f=-6.8!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 19:sc= 0.426 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.918 20.392 -7.139 1.00 0.00 N ATOM 2 CA GLY A 1 -18.884 21.338 -6.763 1.00 0.00 C ATOM 3 C GLY A 1 -18.871 21.622 -5.274 1.00 0.00 C ATOM 4 O GLY A 1 -18.687 22.764 -4.855 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.952 20.309 -8.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.706 19.462 -6.724 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.838 20.726 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.912 20.947 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.034 22.271 -7.306 1.00 0.00 H new ATOM 8 N SER A 2 -19.069 20.580 -4.473 1.00 0.00 N ATOM 9 CA SER A 2 -19.085 20.723 -3.022 1.00 0.00 C ATOM 10 C SER A 2 -17.720 20.391 -2.428 1.00 0.00 C ATOM 11 O SER A 2 -16.830 19.902 -3.124 1.00 0.00 O ATOM 12 CB SER A 2 -20.155 19.816 -2.411 1.00 0.00 C ATOM 13 OG SER A 2 -19.785 18.451 -2.514 1.00 0.00 O ATOM 0 H SER A 2 -19.221 19.627 -4.804 1.00 0.00 H new ATOM 0 HA SER A 2 -19.321 21.761 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.304 20.078 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.106 19.978 -2.918 1.00 0.00 H new ATOM 0 HG SER A 2 -20.484 17.892 -2.115 1.00 0.00 H new ATOM 19 N SER A 3 -17.562 20.661 -1.136 1.00 0.00 N ATOM 20 CA SER A 3 -16.305 20.394 -0.448 1.00 0.00 C ATOM 21 C SER A 3 -16.083 18.894 -0.283 1.00 0.00 C ATOM 22 O SER A 3 -17.021 18.103 -0.367 1.00 0.00 O ATOM 23 CB SER A 3 -16.294 21.077 0.921 1.00 0.00 C ATOM 24 OG SER A 3 -16.436 22.481 0.793 1.00 0.00 O ATOM 0 H SER A 3 -18.289 21.064 -0.545 1.00 0.00 H new ATOM 0 HA SER A 3 -15.494 20.798 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.103 20.681 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.362 20.848 1.437 1.00 0.00 H new ATOM 0 HG SER A 3 -16.428 22.893 1.682 1.00 0.00 H new ATOM 30 N GLY A 4 -14.832 18.510 -0.047 1.00 0.00 N ATOM 31 CA GLY A 4 -14.507 17.106 0.126 1.00 0.00 C ATOM 32 C GLY A 4 -14.084 16.444 -1.170 1.00 0.00 C ATOM 33 O GLY A 4 -13.483 17.084 -2.033 1.00 0.00 O ATOM 0 H GLY A 4 -14.038 19.146 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.705 17.010 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.373 16.583 0.531 1.00 0.00 H new ATOM 37 N SER A 5 -14.396 15.160 -1.307 1.00 0.00 N ATOM 38 CA SER A 5 -14.039 14.410 -2.505 1.00 0.00 C ATOM 39 C SER A 5 -12.527 14.395 -2.707 1.00 0.00 C ATOM 40 O SER A 5 -12.027 14.759 -3.771 1.00 0.00 O ATOM 41 CB SER A 5 -14.723 15.014 -3.733 1.00 0.00 C ATOM 42 OG SER A 5 -16.105 14.703 -3.752 1.00 0.00 O ATOM 0 H SER A 5 -14.896 14.617 -0.603 1.00 0.00 H new ATOM 0 HA SER A 5 -14.381 13.383 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.591 16.096 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.250 14.636 -4.639 1.00 0.00 H new ATOM 0 HG SER A 5 -16.519 15.102 -4.546 1.00 0.00 H new ATOM 48 N SER A 6 -11.803 13.972 -1.676 1.00 0.00 N ATOM 49 CA SER A 6 -10.347 13.913 -1.736 1.00 0.00 C ATOM 50 C SER A 6 -9.848 12.497 -1.465 1.00 0.00 C ATOM 51 O SER A 6 -10.179 11.896 -0.443 1.00 0.00 O ATOM 52 CB SER A 6 -9.734 14.885 -0.726 1.00 0.00 C ATOM 53 OG SER A 6 -10.141 14.571 0.595 1.00 0.00 O ATOM 0 H SER A 6 -12.201 13.665 -0.788 1.00 0.00 H new ATOM 0 HA SER A 6 -10.038 14.201 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.647 14.847 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.033 15.904 -0.970 1.00 0.00 H new ATOM 0 HG SER A 6 -10.314 13.609 0.664 1.00 0.00 H new ATOM 59 N GLY A 7 -9.050 11.970 -2.388 1.00 0.00 N ATOM 60 CA GLY A 7 -8.518 10.629 -2.231 1.00 0.00 C ATOM 61 C GLY A 7 -7.017 10.573 -2.431 1.00 0.00 C ATOM 62 O GLY A 7 -6.510 10.955 -3.486 1.00 0.00 O ATOM 0 H GLY A 7 -8.762 12.448 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.763 10.259 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.002 9.964 -2.946 1.00 0.00 H new ATOM 66 N ARG A 8 -6.303 10.098 -1.415 1.00 0.00 N ATOM 67 CA ARG A 8 -4.850 9.997 -1.483 1.00 0.00 C ATOM 68 C ARG A 8 -4.428 8.796 -2.324 1.00 0.00 C ATOM 69 O ARG A 8 -5.138 7.792 -2.391 1.00 0.00 O ATOM 70 CB ARG A 8 -4.259 9.882 -0.077 1.00 0.00 C ATOM 71 CG ARG A 8 -2.753 10.078 -0.031 1.00 0.00 C ATOM 72 CD ARG A 8 -2.234 10.077 1.398 1.00 0.00 C ATOM 73 NE ARG A 8 -0.820 10.437 1.467 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.167 10.632 2.607 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.796 10.503 3.767 1.00 0.00 N ATOM 76 NH2 ARG A 8 1.120 10.958 2.588 1.00 0.00 N ATOM 0 H ARG A 8 -6.707 9.777 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.469 10.902 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.733 10.621 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.502 8.901 0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.264 9.285 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.493 11.020 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.816 10.778 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.378 9.089 1.835 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.306 10.544 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.785 10.253 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.291 10.654 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.607 11.059 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.621 11.108 3.464 1.00 0.00 H new ATOM 90 N ARG A 9 -3.268 8.906 -2.963 1.00 0.00 N ATOM 91 CA ARG A 9 -2.752 7.831 -3.801 1.00 0.00 C ATOM 92 C ARG A 9 -1.309 7.499 -3.432 1.00 0.00 C ATOM 93 O ARG A 9 -0.496 8.393 -3.198 1.00 0.00 O ATOM 94 CB ARG A 9 -2.835 8.221 -5.278 1.00 0.00 C ATOM 95 CG ARG A 9 -4.193 7.949 -5.904 1.00 0.00 C ATOM 96 CD ARG A 9 -4.096 7.837 -7.418 1.00 0.00 C ATOM 97 NE ARG A 9 -4.161 9.143 -8.068 1.00 0.00 N ATOM 98 CZ ARG A 9 -4.468 9.311 -9.349 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.738 8.262 -10.113 1.00 0.00 N ATOM 100 NH2 ARG A 9 -4.507 10.532 -9.869 1.00 0.00 N ATOM 0 H ARG A 9 -2.668 9.729 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.365 6.946 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.604 9.281 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.072 7.674 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.605 7.026 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.883 8.750 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.161 7.345 -7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.905 7.207 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.960 9.971 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.710 7.322 -9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.973 8.395 -11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.301 11.342 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.743 10.660 -10.853 1.00 0.00 H new ATOM 114 N VAL A 10 -0.999 6.207 -3.382 1.00 0.00 N ATOM 115 CA VAL A 10 0.346 5.757 -3.042 1.00 0.00 C ATOM 116 C VAL A 10 0.786 4.610 -3.945 1.00 0.00 C ATOM 117 O VAL A 10 -0.030 4.007 -4.642 1.00 0.00 O ATOM 118 CB VAL A 10 0.430 5.300 -1.573 1.00 0.00 C ATOM 119 CG1 VAL A 10 0.128 6.459 -0.635 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.519 4.139 -1.321 1.00 0.00 C ATOM 0 H VAL A 10 -1.660 5.454 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 10 1.011 6.608 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 10 1.446 4.958 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.192 6.117 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.852 7.258 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.876 6.834 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.446 3.829 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.541 4.451 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.251 3.303 -1.967 1.00 0.00 H new ATOM 130 N ARG A 11 2.081 4.313 -3.927 1.00 0.00 N ATOM 131 CA ARG A 11 2.631 3.239 -4.745 1.00 0.00 C ATOM 132 C ARG A 11 3.542 2.338 -3.917 1.00 0.00 C ATOM 133 O ARG A 11 4.359 2.818 -3.131 1.00 0.00 O ATOM 134 CB ARG A 11 3.406 3.817 -5.930 1.00 0.00 C ATOM 135 CG ARG A 11 4.087 2.761 -6.786 1.00 0.00 C ATOM 136 CD ARG A 11 4.941 3.392 -7.874 1.00 0.00 C ATOM 137 NE ARG A 11 6.303 3.656 -7.417 1.00 0.00 N ATOM 138 CZ ARG A 11 7.326 3.867 -8.237 1.00 0.00 C ATOM 139 NH1 ARG A 11 7.142 3.846 -9.550 1.00 0.00 N ATOM 140 NH2 ARG A 11 8.535 4.101 -7.745 1.00 0.00 N ATOM 0 H ARG A 11 2.769 4.801 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 11 1.801 2.640 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.723 4.393 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.159 4.511 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.710 2.126 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.333 2.118 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.971 2.731 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.481 4.325 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 11 6.478 3.680 -6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.213 3.668 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.929 4.008 -10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.680 4.119 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.320 4.263 -8.376 1.00 0.00 H new ATOM 154 N ALA A 12 3.396 1.029 -4.100 1.00 0.00 N ATOM 155 CA ALA A 12 4.207 0.061 -3.372 1.00 0.00 C ATOM 156 C ALA A 12 5.666 0.125 -3.812 1.00 0.00 C ATOM 157 O ALA A 12 6.055 -0.508 -4.794 1.00 0.00 O ATOM 158 CB ALA A 12 3.656 -1.343 -3.568 1.00 0.00 C ATOM 0 H ALA A 12 2.724 0.615 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 12 4.163 0.312 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.272 -2.055 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.632 -1.387 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.669 -1.594 -4.629 1.00 0.00 H new ATOM 164 N ILE A 13 6.467 0.893 -3.081 1.00 0.00 N ATOM 165 CA ILE A 13 7.882 1.038 -3.397 1.00 0.00 C ATOM 166 C ILE A 13 8.583 -0.316 -3.419 1.00 0.00 C ATOM 167 O ILE A 13 9.573 -0.504 -4.127 1.00 0.00 O ATOM 168 CB ILE A 13 8.594 1.955 -2.385 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.411 1.420 -0.963 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.063 3.377 -2.493 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.409 1.980 0.026 1.00 0.00 C ATOM 0 H ILE A 13 6.160 1.424 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 13 7.939 1.490 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 13 9.659 1.967 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.403 1.655 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.497 0.334 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.576 4.013 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.239 3.756 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.993 3.383 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.220 1.557 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.419 1.723 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.308 3.064 0.070 1.00 0.00 H new ATOM 183 N LEU A 14 8.061 -1.258 -2.642 1.00 0.00 N ATOM 184 CA LEU A 14 8.635 -2.598 -2.573 1.00 0.00 C ATOM 185 C LEU A 14 7.555 -3.639 -2.296 1.00 0.00 C ATOM 186 O LEU A 14 6.497 -3.340 -1.741 1.00 0.00 O ATOM 187 CB LEU A 14 9.709 -2.659 -1.485 1.00 0.00 C ATOM 188 CG LEU A 14 11.046 -2.000 -1.825 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.917 -1.889 -0.583 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.764 -2.782 -2.915 1.00 0.00 C ATOM 0 H LEU A 14 7.241 -1.119 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 14 9.091 -2.821 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.313 -2.189 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.894 -3.706 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 14 10.850 -0.994 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.865 -1.418 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.406 -1.285 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.106 -2.884 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.714 -2.299 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.949 -3.800 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.145 -2.809 -3.812 1.00 0.00 H new ATOM 202 N PRO A 15 7.827 -4.892 -2.689 1.00 0.00 N ATOM 203 CA PRO A 15 6.892 -6.004 -2.491 1.00 0.00 C ATOM 204 C PRO A 15 6.753 -6.390 -1.023 1.00 0.00 C ATOM 205 O PRO A 15 7.744 -6.477 -0.297 1.00 0.00 O ATOM 206 CB PRO A 15 7.527 -7.147 -3.287 1.00 0.00 C ATOM 207 CG PRO A 15 8.980 -6.822 -3.324 1.00 0.00 C ATOM 208 CD PRO A 15 9.067 -5.321 -3.356 1.00 0.00 C ATOM 0 HA PRO A 15 5.882 -5.750 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.349 -8.110 -2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.110 -7.209 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.492 -7.224 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.456 -7.259 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.951 -4.959 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.125 -4.944 -4.377 1.00 0.00 H new ATOM 216 N TYR A 16 5.518 -6.622 -0.591 1.00 0.00 N ATOM 217 CA TYR A 16 5.250 -6.997 0.792 1.00 0.00 C ATOM 218 C TYR A 16 4.392 -8.257 0.858 1.00 0.00 C ATOM 219 O TYR A 16 3.553 -8.498 -0.010 1.00 0.00 O ATOM 220 CB TYR A 16 4.551 -5.852 1.527 1.00 0.00 C ATOM 221 CG TYR A 16 3.997 -6.248 2.877 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.826 -6.759 3.867 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.644 -6.111 3.162 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.323 -7.123 5.102 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.133 -6.470 4.394 1.00 0.00 C ATOM 226 CZ TYR A 16 2.977 -6.976 5.360 1.00 0.00 C ATOM 227 OH TYR A 16 2.471 -7.337 6.589 1.00 0.00 O ATOM 0 H TYR A 16 4.687 -6.557 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 16 6.204 -7.203 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.257 -5.032 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.738 -5.476 0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.881 -6.874 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.980 -5.717 2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.981 -7.520 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.079 -6.355 4.599 1.00 0.00 H new ATOM 0 HH TYR A 16 1.506 -7.169 6.607 1.00 0.00 H new ATOM 237 N THR A 17 4.608 -9.059 1.897 1.00 0.00 N ATOM 238 CA THR A 17 3.857 -10.294 2.078 1.00 0.00 C ATOM 239 C THR A 17 2.688 -10.091 3.036 1.00 0.00 C ATOM 240 O THR A 17 2.846 -9.512 4.111 1.00 0.00 O ATOM 241 CB THR A 17 4.755 -11.424 2.615 1.00 0.00 C ATOM 242 OG1 THR A 17 5.848 -11.650 1.716 1.00 0.00 O ATOM 243 CG2 THR A 17 3.962 -12.710 2.789 1.00 0.00 C ATOM 0 H THR A 17 5.297 -8.874 2.626 1.00 0.00 H new ATOM 0 HA THR A 17 3.475 -10.578 1.097 1.00 0.00 H new ATOM 0 HB THR A 17 5.141 -11.120 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.415 -12.369 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.618 -13.493 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.149 -12.543 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.550 -13.017 1.827 1.00 0.00 H new ATOM 251 N LYS A 18 1.515 -10.573 2.640 1.00 0.00 N ATOM 252 CA LYS A 18 0.319 -10.447 3.464 1.00 0.00 C ATOM 253 C LYS A 18 0.354 -11.430 4.629 1.00 0.00 C ATOM 254 O LYS A 18 0.956 -12.500 4.534 1.00 0.00 O ATOM 255 CB LYS A 18 -0.935 -10.686 2.619 1.00 0.00 C ATOM 256 CG LYS A 18 -1.062 -12.111 2.109 1.00 0.00 C ATOM 257 CD LYS A 18 -2.515 -12.499 1.893 1.00 0.00 C ATOM 258 CE LYS A 18 -3.164 -12.969 3.186 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.397 -13.765 2.930 1.00 0.00 N ATOM 0 H LYS A 18 1.367 -11.055 1.753 1.00 0.00 H new ATOM 0 HA LYS A 18 0.291 -9.435 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.815 -10.442 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.925 -10.004 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.514 -12.213 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.604 -12.796 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.066 -11.646 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.574 -13.291 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.453 -13.572 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.411 -12.105 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.810 -14.067 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.086 -13.182 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.158 -14.603 2.362 1.00 0.00 H new ATOM 273 N VAL A 19 -0.295 -11.062 5.729 1.00 0.00 N ATOM 274 CA VAL A 19 -0.340 -11.912 6.912 1.00 0.00 C ATOM 275 C VAL A 19 -1.287 -13.089 6.707 1.00 0.00 C ATOM 276 O VAL A 19 -2.373 -12.953 6.143 1.00 0.00 O ATOM 277 CB VAL A 19 -0.784 -11.121 8.156 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.905 -12.042 9.360 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.188 -9.985 8.439 1.00 0.00 C ATOM 0 H VAL A 19 -0.797 -10.180 5.825 1.00 0.00 H new ATOM 0 HA VAL A 19 0.671 -12.286 7.071 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.765 -10.689 7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.220 -11.465 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.643 -12.817 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.061 -12.505 9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.141 -9.436 9.321 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.183 -10.393 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.219 -9.311 7.583 1.00 0.00 H new ATOM 289 N PRO A 20 -0.868 -14.274 7.176 1.00 0.00 N ATOM 290 CA PRO A 20 -1.665 -15.499 7.056 1.00 0.00 C ATOM 291 C PRO A 20 -2.903 -15.474 7.947 1.00 0.00 C ATOM 292 O PRO A 20 -2.872 -14.938 9.055 1.00 0.00 O ATOM 293 CB PRO A 20 -0.700 -16.596 7.513 1.00 0.00 C ATOM 294 CG PRO A 20 0.266 -15.901 8.409 1.00 0.00 C ATOM 295 CD PRO A 20 0.415 -14.510 7.858 1.00 0.00 C ATOM 0 HA PRO A 20 -2.045 -15.641 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.226 -17.392 8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.193 -17.056 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.101 -15.877 9.435 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.225 -16.419 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.590 -13.781 8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.256 -14.439 7.168 1.00 0.00 H new ATOM 303 N ASP A 21 -3.991 -16.057 7.455 1.00 0.00 N ATOM 304 CA ASP A 21 -5.240 -16.102 8.207 1.00 0.00 C ATOM 305 C ASP A 21 -5.668 -14.702 8.635 1.00 0.00 C ATOM 306 O ASP A 21 -5.943 -14.456 9.810 1.00 0.00 O ATOM 307 CB ASP A 21 -5.087 -17.000 9.436 1.00 0.00 C ATOM 308 CG ASP A 21 -4.815 -18.445 9.067 1.00 0.00 C ATOM 309 OD1 ASP A 21 -3.832 -18.697 8.338 1.00 0.00 O ATOM 310 OD2 ASP A 21 -5.584 -19.325 9.507 1.00 0.00 O ATOM 0 H ASP A 21 -4.033 -16.505 6.539 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.012 -16.515 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.272 -16.627 10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.995 -16.946 10.037 1.00 0.00 H new ATOM 315 N THR A 22 -5.722 -13.785 7.674 1.00 0.00 N ATOM 316 CA THR A 22 -6.115 -12.410 7.950 1.00 0.00 C ATOM 317 C THR A 22 -6.556 -11.697 6.677 1.00 0.00 C ATOM 318 O THR A 22 -6.408 -12.226 5.575 1.00 0.00 O ATOM 319 CB THR A 22 -4.963 -11.616 8.597 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.760 -11.796 7.841 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.738 -12.064 10.033 1.00 0.00 C ATOM 0 H THR A 22 -5.498 -13.971 6.696 1.00 0.00 H new ATOM 0 HA THR A 22 -6.953 -12.455 8.646 1.00 0.00 H new ATOM 0 HB THR A 22 -5.235 -10.560 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.952 -12.333 7.044 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.920 -11.490 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.647 -11.899 10.612 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.485 -13.124 10.048 1.00 0.00 H new ATOM 329 N ASP A 23 -7.097 -10.494 6.835 1.00 0.00 N ATOM 330 CA ASP A 23 -7.558 -9.707 5.697 1.00 0.00 C ATOM 331 C ASP A 23 -6.378 -9.108 4.938 1.00 0.00 C ATOM 332 O ASP A 23 -6.494 -8.771 3.760 1.00 0.00 O ATOM 333 CB ASP A 23 -8.497 -8.595 6.166 1.00 0.00 C ATOM 334 CG ASP A 23 -9.907 -9.093 6.413 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.094 -9.912 7.337 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.825 -8.665 5.681 1.00 0.00 O ATOM 0 H ASP A 23 -7.227 -10.042 7.740 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.101 -10.370 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.105 -8.155 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.520 -7.803 5.417 1.00 0.00 H new ATOM 341 N GLU A 24 -5.246 -8.977 5.621 1.00 0.00 N ATOM 342 CA GLU A 24 -4.046 -8.416 5.010 1.00 0.00 C ATOM 343 C GLU A 24 -3.905 -8.880 3.563 1.00 0.00 C ATOM 344 O GLU A 24 -4.121 -10.052 3.252 1.00 0.00 O ATOM 345 CB GLU A 24 -2.805 -8.816 5.810 1.00 0.00 C ATOM 346 CG GLU A 24 -2.684 -8.101 7.145 1.00 0.00 C ATOM 347 CD GLU A 24 -3.634 -8.652 8.190 1.00 0.00 C ATOM 348 OE1 GLU A 24 -4.842 -8.343 8.116 1.00 0.00 O ATOM 349 OE2 GLU A 24 -3.170 -9.393 9.082 1.00 0.00 O ATOM 0 H GLU A 24 -5.134 -9.251 6.597 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.139 -7.330 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.827 -9.892 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.916 -8.608 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.660 -8.188 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.882 -7.039 7.003 1.00 0.00 H new ATOM 356 N ILE A 25 -3.541 -7.953 2.684 1.00 0.00 N ATOM 357 CA ILE A 25 -3.370 -8.267 1.271 1.00 0.00 C ATOM 358 C ILE A 25 -1.918 -8.085 0.839 1.00 0.00 C ATOM 359 O ILE A 25 -1.200 -7.244 1.378 1.00 0.00 O ATOM 360 CB ILE A 25 -4.271 -7.385 0.385 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.878 -5.913 0.527 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.733 -7.587 0.752 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.268 -5.067 -0.665 1.00 0.00 C ATOM 0 H ILE A 25 -3.359 -6.979 2.925 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.657 -9.311 1.143 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.134 -7.679 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.348 -5.504 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.800 -5.845 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.358 -6.958 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.004 -8.632 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.887 -7.316 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.959 -4.036 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.777 -5.451 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.349 -5.104 -0.800 1.00 0.00 H new ATOM 375 N SER A 26 -1.494 -8.880 -0.138 1.00 0.00 N ATOM 376 CA SER A 26 -0.127 -8.809 -0.642 1.00 0.00 C ATOM 377 C SER A 26 -0.066 -8.000 -1.934 1.00 0.00 C ATOM 378 O SER A 26 -0.907 -8.157 -2.819 1.00 0.00 O ATOM 379 CB SER A 26 0.424 -10.216 -0.881 1.00 0.00 C ATOM 380 OG SER A 26 -0.498 -11.009 -1.607 1.00 0.00 O ATOM 0 H SER A 26 -2.077 -9.580 -0.596 1.00 0.00 H new ATOM 0 HA SER A 26 0.486 -8.309 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.364 -10.153 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.643 -10.691 0.075 1.00 0.00 H new ATOM 0 HG SER A 26 -0.121 -11.903 -1.748 1.00 0.00 H new ATOM 386 N PHE A 27 0.937 -7.134 -2.035 1.00 0.00 N ATOM 387 CA PHE A 27 1.109 -6.299 -3.218 1.00 0.00 C ATOM 388 C PHE A 27 2.532 -6.409 -3.759 1.00 0.00 C ATOM 389 O PHE A 27 3.422 -6.940 -3.094 1.00 0.00 O ATOM 390 CB PHE A 27 0.788 -4.840 -2.890 1.00 0.00 C ATOM 391 CG PHE A 27 1.294 -4.403 -1.545 1.00 0.00 C ATOM 392 CD1 PHE A 27 2.566 -3.871 -1.408 1.00 0.00 C ATOM 393 CD2 PHE A 27 0.498 -4.524 -0.417 1.00 0.00 C ATOM 394 CE1 PHE A 27 3.035 -3.467 -0.172 1.00 0.00 C ATOM 395 CE2 PHE A 27 0.961 -4.122 0.821 1.00 0.00 C ATOM 396 CZ PHE A 27 2.232 -3.594 0.944 1.00 0.00 C ATOM 0 H PHE A 27 1.643 -6.992 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 27 0.419 -6.652 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.221 -4.199 -3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.292 -4.697 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.199 -3.771 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.496 -4.937 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.028 -3.053 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.330 -4.220 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.597 -3.281 1.911 1.00 0.00 H new ATOM 406 N LEU A 28 2.738 -5.904 -4.971 1.00 0.00 N ATOM 407 CA LEU A 28 4.052 -5.945 -5.603 1.00 0.00 C ATOM 408 C LEU A 28 4.557 -4.537 -5.902 1.00 0.00 C ATOM 409 O LEU A 28 3.804 -3.566 -5.823 1.00 0.00 O ATOM 410 CB LEU A 28 3.994 -6.763 -6.894 1.00 0.00 C ATOM 411 CG LEU A 28 3.874 -8.278 -6.724 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.209 -8.875 -6.307 1.00 0.00 C ATOM 413 CD2 LEU A 28 2.795 -8.617 -5.706 1.00 0.00 C ATOM 0 H LEU A 28 2.012 -5.462 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 28 4.746 -6.420 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.145 -6.415 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.892 -6.553 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 28 3.589 -8.711 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.105 -9.954 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.957 -8.663 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.524 -8.437 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.724 -9.699 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.050 -8.172 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.837 -8.222 -6.046 1.00 0.00 H new ATOM 425 N LYS A 29 5.835 -4.433 -6.248 1.00 0.00 N ATOM 426 CA LYS A 29 6.441 -3.145 -6.563 1.00 0.00 C ATOM 427 C LYS A 29 5.670 -2.438 -7.673 1.00 0.00 C ATOM 428 O LYS A 29 5.464 -2.995 -8.751 1.00 0.00 O ATOM 429 CB LYS A 29 7.901 -3.334 -6.982 1.00 0.00 C ATOM 430 CG LYS A 29 8.767 -2.110 -6.737 1.00 0.00 C ATOM 431 CD LYS A 29 10.110 -2.228 -7.438 1.00 0.00 C ATOM 432 CE LYS A 29 11.021 -1.059 -7.097 1.00 0.00 C ATOM 433 NZ LYS A 29 12.440 -1.339 -7.452 1.00 0.00 N ATOM 0 H LYS A 29 6.472 -5.226 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 29 6.404 -2.525 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.320 -4.180 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.936 -3.588 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.248 -1.219 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.924 -1.983 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.592 -3.162 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.956 -2.269 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.683 -0.169 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.949 -0.842 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.028 -0.518 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.771 -2.174 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.513 -1.521 -8.473 1.00 0.00 H new ATOM 447 N GLY A 30 5.247 -1.207 -7.403 1.00 0.00 N ATOM 448 CA GLY A 30 4.504 -0.444 -8.389 1.00 0.00 C ATOM 449 C GLY A 30 3.010 -0.471 -8.138 1.00 0.00 C ATOM 450 O GLY A 30 2.311 0.506 -8.405 1.00 0.00 O ATOM 0 H GLY A 30 5.406 -0.724 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.852 0.589 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.710 -0.843 -9.382 1.00 0.00 H new ATOM 454 N ASP A 31 2.518 -1.593 -7.624 1.00 0.00 N ATOM 455 CA ASP A 31 1.096 -1.744 -7.338 1.00 0.00 C ATOM 456 C ASP A 31 0.538 -0.487 -6.678 1.00 0.00 C ATOM 457 O ASP A 31 0.955 -0.112 -5.583 1.00 0.00 O ATOM 458 CB ASP A 31 0.862 -2.956 -6.434 1.00 0.00 C ATOM 459 CG ASP A 31 0.903 -4.265 -7.198 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.662 -4.351 -8.186 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.176 -5.203 -6.809 1.00 0.00 O ATOM 0 H ASP A 31 3.083 -2.411 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 31 0.575 -1.899 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.619 -2.972 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.105 -2.857 -5.941 1.00 0.00 H new ATOM 466 N MET A 32 -0.406 0.160 -7.354 1.00 0.00 N ATOM 467 CA MET A 32 -1.021 1.376 -6.833 1.00 0.00 C ATOM 468 C MET A 32 -2.199 1.042 -5.923 1.00 0.00 C ATOM 469 O MET A 32 -2.763 -0.049 -5.997 1.00 0.00 O ATOM 470 CB MET A 32 -1.487 2.271 -7.983 1.00 0.00 C ATOM 471 CG MET A 32 -0.428 3.254 -8.455 1.00 0.00 C ATOM 472 SD MET A 32 -0.839 4.008 -10.041 1.00 0.00 S ATOM 473 CE MET A 32 -1.575 5.550 -9.503 1.00 0.00 C ATOM 0 H MET A 32 -0.762 -0.137 -8.263 1.00 0.00 H new ATOM 0 HA MET A 32 -0.272 1.910 -6.248 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.788 1.644 -8.822 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.370 2.825 -7.666 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.304 4.036 -7.706 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.529 2.739 -8.539 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.882 6.130 -10.373 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.446 5.340 -8.882 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.846 6.119 -8.926 1.00 0.00 H new ATOM 483 N PHE A 33 -2.565 1.989 -5.066 1.00 0.00 N ATOM 484 CA PHE A 33 -3.675 1.795 -4.140 1.00 0.00 C ATOM 485 C PHE A 33 -4.476 3.083 -3.973 1.00 0.00 C ATOM 486 O PHE A 33 -4.096 4.134 -4.492 1.00 0.00 O ATOM 487 CB PHE A 33 -3.157 1.323 -2.780 1.00 0.00 C ATOM 488 CG PHE A 33 -2.049 0.314 -2.878 1.00 0.00 C ATOM 489 CD1 PHE A 33 -2.333 -1.039 -2.971 1.00 0.00 C ATOM 490 CD2 PHE A 33 -0.724 0.717 -2.877 1.00 0.00 C ATOM 491 CE1 PHE A 33 -1.316 -1.971 -3.062 1.00 0.00 C ATOM 492 CE2 PHE A 33 0.297 -0.210 -2.968 1.00 0.00 C ATOM 493 CZ PHE A 33 0.001 -1.556 -3.059 1.00 0.00 C ATOM 0 H PHE A 33 -2.109 2.899 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.332 1.031 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.803 2.186 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.983 0.890 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.361 -1.369 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.486 1.768 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.551 -3.022 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.326 0.118 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.798 -2.282 -3.128 1.00 0.00 H new ATOM 503 N ILE A 34 -5.584 2.994 -3.247 1.00 0.00 N ATOM 504 CA ILE A 34 -6.438 4.151 -3.011 1.00 0.00 C ATOM 505 C ILE A 34 -6.847 4.243 -1.544 1.00 0.00 C ATOM 506 O ILE A 34 -7.729 3.516 -1.088 1.00 0.00 O ATOM 507 CB ILE A 34 -7.706 4.103 -3.883 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.330 4.052 -5.366 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.592 5.306 -3.597 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.489 3.701 -6.272 1.00 0.00 C ATOM 0 H ILE A 34 -5.912 2.132 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.855 5.032 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.264 3.199 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.927 5.020 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.535 3.319 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.484 5.257 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.883 5.302 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.044 6.222 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.149 3.683 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.878 2.720 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.276 4.447 -6.161 1.00 0.00 H new ATOM 522 N VAL A 35 -6.200 5.143 -0.811 1.00 0.00 N ATOM 523 CA VAL A 35 -6.498 5.333 0.604 1.00 0.00 C ATOM 524 C VAL A 35 -7.955 5.732 0.810 1.00 0.00 C ATOM 525 O VAL A 35 -8.403 6.766 0.312 1.00 0.00 O ATOM 526 CB VAL A 35 -5.589 6.408 1.229 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.953 6.631 2.689 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.126 6.016 1.089 1.00 0.00 C ATOM 0 H VAL A 35 -5.466 5.752 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.313 4.379 1.098 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.742 7.345 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.301 7.394 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.990 6.960 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.830 5.699 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.498 6.787 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.953 5.067 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.877 5.912 0.033 1.00 0.00 H new ATOM 538 N HIS A 36 -8.690 4.906 1.547 1.00 0.00 N ATOM 539 CA HIS A 36 -10.098 5.174 1.821 1.00 0.00 C ATOM 540 C HIS A 36 -10.304 5.558 3.283 1.00 0.00 C ATOM 541 O HIS A 36 -11.047 6.489 3.591 1.00 0.00 O ATOM 542 CB HIS A 36 -10.947 3.949 1.480 1.00 0.00 C ATOM 543 CG HIS A 36 -11.077 3.701 0.008 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.876 4.464 -0.816 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.501 2.768 -0.786 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.788 4.011 -2.054 1.00 0.00 C ATOM 547 NE2 HIS A 36 -10.959 2.983 -2.063 1.00 0.00 N ATOM 0 H HIS A 36 -8.335 4.046 1.965 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.411 6.010 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.507 3.070 1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.941 4.076 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.810 1.999 -0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.306 4.413 -2.912 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.701 2.437 -2.885 1.00 0.00 H new ATOM 555 N ASN A 37 -9.640 4.835 4.179 1.00 0.00 N ATOM 556 CA ASN A 37 -9.752 5.101 5.609 1.00 0.00 C ATOM 557 C ASN A 37 -8.390 5.001 6.289 1.00 0.00 C ATOM 558 O ASN A 37 -7.661 4.028 6.099 1.00 0.00 O ATOM 559 CB ASN A 37 -10.730 4.119 6.256 1.00 0.00 C ATOM 560 CG ASN A 37 -11.426 4.709 7.468 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.198 5.660 7.352 1.00 0.00 O ATOM 562 ND2 ASN A 37 -11.153 4.146 8.639 1.00 0.00 N ATOM 0 H ASN A 37 -9.019 4.061 3.941 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.129 6.116 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.478 3.818 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.193 3.218 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.590 4.501 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.506 3.359 8.688 1.00 0.00 H new ATOM 569 N GLU A 38 -8.054 6.014 7.081 1.00 0.00 N ATOM 570 CA GLU A 38 -6.779 6.040 7.789 1.00 0.00 C ATOM 571 C GLU A 38 -6.941 5.537 9.220 1.00 0.00 C ATOM 572 O GLU A 38 -7.664 6.131 10.021 1.00 0.00 O ATOM 573 CB GLU A 38 -6.204 7.457 7.797 1.00 0.00 C ATOM 574 CG GLU A 38 -5.599 7.876 6.467 1.00 0.00 C ATOM 575 CD GLU A 38 -4.684 9.079 6.596 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.194 10.187 6.861 1.00 0.00 O ATOM 577 OE2 GLU A 38 -3.457 8.911 6.431 1.00 0.00 O ATOM 0 H GLU A 38 -8.646 6.827 7.249 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.089 5.378 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.994 8.159 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.440 7.526 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.038 7.041 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.400 8.107 5.764 1.00 0.00 H new ATOM 584 N LEU A 39 -6.264 4.438 9.535 1.00 0.00 N ATOM 585 CA LEU A 39 -6.332 3.854 10.870 1.00 0.00 C ATOM 586 C LEU A 39 -5.413 4.594 11.836 1.00 0.00 C ATOM 587 O LEU A 39 -4.709 5.525 11.448 1.00 0.00 O ATOM 588 CB LEU A 39 -5.952 2.373 10.820 1.00 0.00 C ATOM 589 CG LEU A 39 -6.890 1.466 10.022 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.334 1.684 10.449 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.730 1.714 8.529 1.00 0.00 C ATOM 0 H LEU A 39 -5.662 3.934 8.884 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.357 3.948 11.229 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.951 2.289 10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.898 1.998 11.842 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.624 0.429 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.987 1.030 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.438 1.455 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.613 2.723 10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.405 1.060 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.969 2.754 8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.702 1.506 8.234 1.00 0.00 H new ATOM 603 N GLU A 40 -5.423 4.171 13.097 1.00 0.00 N ATOM 604 CA GLU A 40 -4.589 4.793 14.118 1.00 0.00 C ATOM 605 C GLU A 40 -3.190 4.183 14.124 1.00 0.00 C ATOM 606 O GLU A 40 -2.202 4.873 14.374 1.00 0.00 O ATOM 607 CB GLU A 40 -5.231 4.638 15.498 1.00 0.00 C ATOM 608 CG GLU A 40 -5.469 3.192 15.899 1.00 0.00 C ATOM 609 CD GLU A 40 -6.275 3.066 17.177 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.502 3.293 17.130 1.00 0.00 O ATOM 611 OE2 GLU A 40 -5.678 2.739 18.224 1.00 0.00 O ATOM 0 H GLU A 40 -5.999 3.400 13.435 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.503 5.854 13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.591 5.112 16.242 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.182 5.171 15.509 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.991 2.676 15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.509 2.692 16.029 1.00 0.00 H new ATOM 618 N ASP A 41 -3.117 2.886 13.848 1.00 0.00 N ATOM 619 CA ASP A 41 -1.840 2.181 13.821 1.00 0.00 C ATOM 620 C ASP A 41 -0.997 2.629 12.631 1.00 0.00 C ATOM 621 O ASP A 41 0.128 2.167 12.445 1.00 0.00 O ATOM 622 CB ASP A 41 -2.068 0.670 13.760 1.00 0.00 C ATOM 623 CG ASP A 41 -3.339 0.306 13.018 1.00 0.00 C ATOM 624 OD1 ASP A 41 -3.720 1.052 12.092 1.00 0.00 O ATOM 625 OD2 ASP A 41 -3.952 -0.726 13.363 1.00 0.00 O ATOM 0 H ASP A 41 -3.926 2.301 13.640 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.301 2.422 14.737 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.217 0.196 13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.115 0.271 14.773 1.00 0.00 H new ATOM 630 N GLY A 42 -1.551 3.532 11.826 1.00 0.00 N ATOM 631 CA GLY A 42 -0.836 4.026 10.664 1.00 0.00 C ATOM 632 C GLY A 42 -1.348 3.423 9.370 1.00 0.00 C ATOM 633 O GLY A 42 -1.330 4.074 8.325 1.00 0.00 O ATOM 0 H GLY A 42 -2.481 3.929 11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.929 5.111 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.225 3.801 10.771 1.00 0.00 H new ATOM 637 N TRP A 43 -1.802 2.177 9.439 1.00 0.00 N ATOM 638 CA TRP A 43 -2.319 1.486 8.263 1.00 0.00 C ATOM 639 C TRP A 43 -3.397 2.316 7.574 1.00 0.00 C ATOM 640 O TRP A 43 -3.805 3.362 8.078 1.00 0.00 O ATOM 641 CB TRP A 43 -2.884 0.120 8.656 1.00 0.00 C ATOM 642 CG TRP A 43 -1.868 -0.782 9.290 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.367 -0.688 10.557 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.231 -1.912 8.686 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.455 -1.693 10.777 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.354 -2.458 9.645 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.315 -2.518 7.430 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.430 -3.578 9.384 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.536 -3.630 7.172 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.327 -4.151 8.146 1.00 0.00 C ATOM 0 H TRP A 43 -1.823 1.625 10.296 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.494 1.343 7.565 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.714 0.263 9.348 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.289 -0.367 7.769 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.646 0.065 11.279 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.063 -1.845 11.643 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.978 -2.124 6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.096 -3.981 10.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.593 -4.105 6.204 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.922 -5.022 7.915 1.00 0.00 H new ATOM 661 N MET A 44 -3.854 1.843 6.419 1.00 0.00 N ATOM 662 CA MET A 44 -4.885 2.542 5.662 1.00 0.00 C ATOM 663 C MET A 44 -5.634 1.580 4.745 1.00 0.00 C ATOM 664 O MET A 44 -5.039 0.960 3.863 1.00 0.00 O ATOM 665 CB MET A 44 -4.266 3.672 4.837 1.00 0.00 C ATOM 666 CG MET A 44 -3.299 4.541 5.626 1.00 0.00 C ATOM 667 SD MET A 44 -2.671 5.930 4.664 1.00 0.00 S ATOM 668 CE MET A 44 -1.259 5.175 3.860 1.00 0.00 C ATOM 0 H MET A 44 -3.526 0.979 5.987 1.00 0.00 H new ATOM 0 HA MET A 44 -5.595 2.967 6.372 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.742 3.243 3.983 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.064 4.299 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.800 4.918 6.517 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.462 3.931 5.965 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.764 5.912 3.227 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.559 4.816 4.615 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.594 4.337 3.248 1.00 0.00 H new ATOM 678 N TRP A 45 -6.939 1.459 4.960 1.00 0.00 N ATOM 679 CA TRP A 45 -7.767 0.571 4.153 1.00 0.00 C ATOM 680 C TRP A 45 -7.791 1.023 2.697 1.00 0.00 C ATOM 681 O TRP A 45 -8.686 1.757 2.279 1.00 0.00 O ATOM 682 CB TRP A 45 -9.192 0.524 4.709 1.00 0.00 C ATOM 683 CG TRP A 45 -10.067 -0.477 4.017 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.907 -0.243 2.966 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.188 -1.869 4.329 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.544 -1.406 2.606 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.119 -2.418 3.426 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.599 -2.706 5.281 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.474 -3.765 3.450 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.953 -4.041 5.304 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.882 -4.560 4.393 1.00 0.00 C ATOM 0 H TRP A 45 -7.446 1.965 5.686 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.334 -0.428 4.196 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.152 0.287 5.772 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.642 1.513 4.619 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.050 0.715 2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.223 -1.501 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.880 -2.316 5.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.191 -4.167 2.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.506 -4.696 6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.136 -5.609 4.436 1.00 0.00 H new ATOM 702 N VAL A 46 -6.802 0.579 1.928 1.00 0.00 N ATOM 703 CA VAL A 46 -6.711 0.936 0.518 1.00 0.00 C ATOM 704 C VAL A 46 -7.298 -0.158 -0.366 1.00 0.00 C ATOM 705 O VAL A 46 -7.626 -1.246 0.108 1.00 0.00 O ATOM 706 CB VAL A 46 -5.252 1.193 0.097 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.553 2.087 1.110 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.506 -0.123 -0.069 1.00 0.00 C ATOM 0 H VAL A 46 -6.052 -0.029 2.258 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.286 1.852 0.387 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.255 1.707 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.523 2.257 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.075 3.042 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.559 1.604 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.477 0.077 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.511 -0.666 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.995 -0.724 -0.836 1.00 0.00 H new ATOM 718 N THR A 47 -7.429 0.136 -1.656 1.00 0.00 N ATOM 719 CA THR A 47 -7.977 -0.822 -2.607 1.00 0.00 C ATOM 720 C THR A 47 -7.080 -0.955 -3.833 1.00 0.00 C ATOM 721 O THR A 47 -7.173 -0.164 -4.770 1.00 0.00 O ATOM 722 CB THR A 47 -9.392 -0.415 -3.062 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.244 -0.251 -1.923 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.981 -1.461 -3.997 1.00 0.00 C ATOM 0 H THR A 47 -7.163 1.031 -2.066 1.00 0.00 H new ATOM 0 HA THR A 47 -8.030 -1.782 -2.093 1.00 0.00 H new ATOM 0 HB THR A 47 -9.320 0.530 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.141 0.009 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.980 -1.152 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.345 -1.562 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.040 -2.419 -3.480 1.00 0.00 H new ATOM 732 N ASN A 48 -6.213 -1.962 -3.818 1.00 0.00 N ATOM 733 CA ASN A 48 -5.299 -2.199 -4.930 1.00 0.00 C ATOM 734 C ASN A 48 -6.028 -2.093 -6.266 1.00 0.00 C ATOM 735 O ASN A 48 -7.202 -2.449 -6.376 1.00 0.00 O ATOM 736 CB ASN A 48 -4.650 -3.579 -4.799 1.00 0.00 C ATOM 737 CG ASN A 48 -3.280 -3.637 -5.446 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.019 -2.953 -6.436 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.398 -4.459 -4.889 1.00 0.00 N ATOM 0 H ASN A 48 -6.124 -2.626 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.523 -1.435 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.562 -3.837 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.297 -4.327 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.460 -4.543 -5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.658 -5.007 -4.069 1.00 0.00 H new ATOM 746 N LEU A 49 -5.324 -1.600 -7.279 1.00 0.00 N ATOM 747 CA LEU A 49 -5.903 -1.447 -8.610 1.00 0.00 C ATOM 748 C LEU A 49 -5.651 -2.688 -9.460 1.00 0.00 C ATOM 749 O LEU A 49 -6.484 -3.068 -10.283 1.00 0.00 O ATOM 750 CB LEU A 49 -5.320 -0.213 -9.302 1.00 0.00 C ATOM 751 CG LEU A 49 -5.651 1.135 -8.662 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.911 2.259 -9.370 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.153 1.384 -8.688 1.00 0.00 C ATOM 0 H LEU A 49 -4.352 -1.299 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.980 -1.319 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.236 -0.319 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.673 -0.199 -10.333 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.324 1.111 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.159 3.211 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.837 2.089 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.206 2.284 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.370 2.348 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.503 1.387 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.662 0.595 -8.134 1.00 0.00 H new ATOM 765 N ARG A 50 -4.499 -3.316 -9.253 1.00 0.00 N ATOM 766 CA ARG A 50 -4.138 -4.515 -9.999 1.00 0.00 C ATOM 767 C ARG A 50 -5.050 -5.681 -9.630 1.00 0.00 C ATOM 768 O ARG A 50 -5.636 -6.326 -10.500 1.00 0.00 O ATOM 769 CB ARG A 50 -2.679 -4.890 -9.730 1.00 0.00 C ATOM 770 CG ARG A 50 -2.183 -6.053 -10.574 1.00 0.00 C ATOM 771 CD ARG A 50 -2.438 -7.386 -9.890 1.00 0.00 C ATOM 772 NE ARG A 50 -1.321 -7.787 -9.039 1.00 0.00 N ATOM 773 CZ ARG A 50 -1.183 -9.008 -8.534 1.00 0.00 C ATOM 774 NH1 ARG A 50 -2.087 -9.943 -8.793 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.138 -9.297 -7.768 1.00 0.00 N ATOM 0 H ARG A 50 -3.799 -3.015 -8.575 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.261 -4.302 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.049 -4.021 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.566 -5.143 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.681 -6.039 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.116 -5.938 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.345 -7.318 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.613 -8.153 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.608 -7.091 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.891 -9.726 -9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.978 -10.879 -8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.560 -8.581 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.033 -10.235 -7.381 1.00 0.00 H new ATOM 789 N THR A 51 -5.166 -5.947 -8.332 1.00 0.00 N ATOM 790 CA THR A 51 -6.005 -7.035 -7.847 1.00 0.00 C ATOM 791 C THR A 51 -7.457 -6.592 -7.710 1.00 0.00 C ATOM 792 O THR A 51 -8.376 -7.406 -7.803 1.00 0.00 O ATOM 793 CB THR A 51 -5.511 -7.562 -6.486 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.610 -6.532 -5.497 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.071 -8.042 -6.583 1.00 0.00 C ATOM 0 H THR A 51 -4.689 -5.423 -7.598 1.00 0.00 H new ATOM 0 HA THR A 51 -5.940 -7.835 -8.584 1.00 0.00 H new ATOM 0 HB THR A 51 -6.140 -8.404 -6.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.296 -6.875 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.744 -8.410 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.004 -8.846 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.432 -7.215 -6.892 1.00 0.00 H new ATOM 803 N ASP A 52 -7.657 -5.297 -7.491 1.00 0.00 N ATOM 804 CA ASP A 52 -8.998 -4.744 -7.343 1.00 0.00 C ATOM 805 C ASP A 52 -9.654 -5.244 -6.060 1.00 0.00 C ATOM 806 O ASP A 52 -10.826 -5.618 -6.056 1.00 0.00 O ATOM 807 CB ASP A 52 -9.862 -5.116 -8.550 1.00 0.00 C ATOM 808 CG ASP A 52 -11.117 -4.272 -8.646 1.00 0.00 C ATOM 809 OD1 ASP A 52 -11.153 -3.190 -8.023 1.00 0.00 O ATOM 810 OD2 ASP A 52 -12.064 -4.693 -9.343 1.00 0.00 O ATOM 0 H ASP A 52 -6.907 -4.610 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.912 -3.659 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.277 -4.997 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.139 -6.168 -8.484 1.00 0.00 H new ATOM 815 N GLU A 53 -8.888 -5.249 -4.973 1.00 0.00 N ATOM 816 CA GLU A 53 -9.395 -5.705 -3.684 1.00 0.00 C ATOM 817 C GLU A 53 -9.011 -4.731 -2.573 1.00 0.00 C ATOM 818 O GLU A 53 -8.071 -3.950 -2.717 1.00 0.00 O ATOM 819 CB GLU A 53 -8.855 -7.100 -3.363 1.00 0.00 C ATOM 820 CG GLU A 53 -9.443 -8.195 -4.238 1.00 0.00 C ATOM 821 CD GLU A 53 -10.889 -8.500 -3.898 1.00 0.00 C ATOM 822 OE1 GLU A 53 -11.164 -8.836 -2.727 1.00 0.00 O ATOM 823 OE2 GLU A 53 -11.744 -8.403 -4.803 1.00 0.00 O ATOM 0 H GLU A 53 -7.915 -4.943 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.482 -5.749 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.771 -7.097 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.063 -7.330 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.375 -7.895 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.849 -9.102 -4.127 1.00 0.00 H new ATOM 830 N GLN A 54 -9.745 -4.786 -1.466 1.00 0.00 N ATOM 831 CA GLN A 54 -9.482 -3.909 -0.332 1.00 0.00 C ATOM 832 C GLN A 54 -8.694 -4.639 0.750 1.00 0.00 C ATOM 833 O GLN A 54 -8.899 -5.829 0.985 1.00 0.00 O ATOM 834 CB GLN A 54 -10.796 -3.380 0.247 1.00 0.00 C ATOM 835 CG GLN A 54 -11.797 -2.948 -0.813 1.00 0.00 C ATOM 836 CD GLN A 54 -13.007 -2.251 -0.223 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.539 -2.671 0.806 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.450 -1.181 -0.872 1.00 0.00 N ATOM 0 H GLN A 54 -10.526 -5.428 -1.331 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.885 -3.069 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.248 -4.154 0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.581 -2.533 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.306 -2.279 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.124 -3.822 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.979 -0.868 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.262 -0.672 -0.522 1.00 0.00 H new ATOM 847 N GLY A 55 -7.790 -3.918 1.407 1.00 0.00 N ATOM 848 CA GLY A 55 -6.984 -4.515 2.456 1.00 0.00 C ATOM 849 C GLY A 55 -6.274 -3.478 3.303 1.00 0.00 C ATOM 850 O GLY A 55 -6.561 -2.284 3.205 1.00 0.00 O ATOM 0 H GLY A 55 -7.602 -2.931 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.620 -5.127 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.246 -5.181 2.008 1.00 0.00 H new ATOM 854 N LEU A 56 -5.347 -3.932 4.137 1.00 0.00 N ATOM 855 CA LEU A 56 -4.594 -3.035 5.007 1.00 0.00 C ATOM 856 C LEU A 56 -3.121 -3.004 4.614 1.00 0.00 C ATOM 857 O LEU A 56 -2.501 -4.048 4.407 1.00 0.00 O ATOM 858 CB LEU A 56 -4.735 -3.470 6.467 1.00 0.00 C ATOM 859 CG LEU A 56 -6.165 -3.614 6.989 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.194 -4.493 8.230 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.763 -2.247 7.288 1.00 0.00 C ATOM 0 H LEU A 56 -5.098 -4.917 4.230 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.003 -2.031 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.226 -4.426 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.212 -2.747 7.093 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.767 -4.091 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.220 -4.584 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.806 -5.482 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.577 -4.044 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.781 -2.368 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.160 -1.743 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.777 -1.649 6.377 1.00 0.00 H new ATOM 873 N ILE A 57 -2.565 -1.801 4.515 1.00 0.00 N ATOM 874 CA ILE A 57 -1.164 -1.634 4.150 1.00 0.00 C ATOM 875 C ILE A 57 -0.489 -0.584 5.026 1.00 0.00 C ATOM 876 O ILE A 57 -1.108 0.405 5.416 1.00 0.00 O ATOM 877 CB ILE A 57 -1.011 -1.229 2.672 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.590 0.168 2.441 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.694 -2.247 1.771 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.117 0.813 1.157 1.00 0.00 C ATOM 0 H ILE A 57 -3.064 -0.927 4.683 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.681 -2.599 4.305 1.00 0.00 H new ATOM 0 HB ILE A 57 0.050 -1.207 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.678 0.104 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.320 0.808 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.577 -1.947 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.240 -3.227 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.755 -2.297 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.567 1.801 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.031 0.909 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.411 0.194 0.309 1.00 0.00 H new ATOM 892 N VAL A 58 0.786 -0.806 5.329 1.00 0.00 N ATOM 893 CA VAL A 58 1.548 0.123 6.156 1.00 0.00 C ATOM 894 C VAL A 58 2.161 1.234 5.312 1.00 0.00 C ATOM 895 O VAL A 58 2.599 1.002 4.186 1.00 0.00 O ATOM 896 CB VAL A 58 2.669 -0.601 6.926 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.702 -1.163 5.961 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.320 0.340 7.928 1.00 0.00 C ATOM 0 H VAL A 58 1.313 -1.621 5.014 1.00 0.00 H new ATOM 0 HA VAL A 58 0.849 0.558 6.871 1.00 0.00 H new ATOM 0 HB VAL A 58 2.230 -1.433 7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.486 -1.671 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.222 -1.872 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.139 -0.350 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.109 -0.188 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.747 1.194 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.571 0.689 8.639 1.00 0.00 H new ATOM 908 N GLU A 59 2.189 2.443 5.865 1.00 0.00 N ATOM 909 CA GLU A 59 2.749 3.591 5.162 1.00 0.00 C ATOM 910 C GLU A 59 4.263 3.457 5.021 1.00 0.00 C ATOM 911 O GLU A 59 4.919 4.311 4.424 1.00 0.00 O ATOM 912 CB GLU A 59 2.408 4.886 5.902 1.00 0.00 C ATOM 913 CG GLU A 59 3.149 5.048 7.219 1.00 0.00 C ATOM 914 CD GLU A 59 2.524 6.102 8.114 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.770 7.303 7.875 1.00 0.00 O ATOM 916 OE2 GLU A 59 1.791 5.725 9.052 1.00 0.00 O ATOM 0 H GLU A 59 1.831 2.652 6.797 1.00 0.00 H new ATOM 0 HA GLU A 59 2.310 3.624 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.639 5.734 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.335 4.914 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.163 4.093 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.186 5.316 7.018 1.00 0.00 H new ATOM 923 N ASP A 60 4.809 2.381 5.574 1.00 0.00 N ATOM 924 CA ASP A 60 6.245 2.133 5.510 1.00 0.00 C ATOM 925 C ASP A 60 6.600 1.308 4.277 1.00 0.00 C ATOM 926 O ASP A 60 7.774 1.148 3.941 1.00 0.00 O ATOM 927 CB ASP A 60 6.718 1.413 6.774 1.00 0.00 C ATOM 928 CG ASP A 60 6.384 2.182 8.037 1.00 0.00 C ATOM 929 OD1 ASP A 60 5.203 2.546 8.217 1.00 0.00 O ATOM 930 OD2 ASP A 60 7.305 2.420 8.847 1.00 0.00 O ATOM 0 H ASP A 60 4.279 1.666 6.072 1.00 0.00 H new ATOM 0 HA ASP A 60 6.751 3.096 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.258 0.426 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.796 1.260 6.720 1.00 0.00 H new ATOM 935 N LEU A 61 5.578 0.786 3.607 1.00 0.00 N ATOM 936 CA LEU A 61 5.782 -0.024 2.411 1.00 0.00 C ATOM 937 C LEU A 61 5.187 0.659 1.183 1.00 0.00 C ATOM 938 O LEU A 61 4.961 0.022 0.154 1.00 0.00 O ATOM 939 CB LEU A 61 5.153 -1.406 2.594 1.00 0.00 C ATOM 940 CG LEU A 61 5.920 -2.378 3.493 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.120 -3.654 3.704 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.283 -2.694 2.896 1.00 0.00 C ATOM 0 H LEU A 61 4.601 0.909 3.871 1.00 0.00 H new ATOM 0 HA LEU A 61 6.855 -0.137 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.151 -1.276 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.038 -1.864 1.612 1.00 0.00 H new ATOM 0 HG LEU A 61 6.071 -1.904 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.681 -4.333 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.168 -3.412 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.937 -4.132 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.814 -3.387 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.153 -3.148 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.859 -1.774 2.797 1.00 0.00 H new ATOM 954 N VAL A 62 4.936 1.959 1.299 1.00 0.00 N ATOM 955 CA VAL A 62 4.370 2.729 0.197 1.00 0.00 C ATOM 956 C VAL A 62 4.836 4.180 0.245 1.00 0.00 C ATOM 957 O VAL A 62 5.657 4.551 1.084 1.00 0.00 O ATOM 958 CB VAL A 62 2.831 2.695 0.221 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.323 1.293 -0.077 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.308 3.186 1.563 1.00 0.00 C ATOM 0 H VAL A 62 5.115 2.501 2.144 1.00 0.00 H new ATOM 0 HA VAL A 62 4.722 2.267 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 62 2.458 3.363 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.233 1.289 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.668 0.983 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.703 0.601 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.218 3.155 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.689 2.545 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.642 4.210 1.731 1.00 0.00 H new ATOM 970 N GLU A 63 4.306 4.996 -0.660 1.00 0.00 N ATOM 971 CA GLU A 63 4.669 6.407 -0.721 1.00 0.00 C ATOM 972 C GLU A 63 3.735 7.169 -1.657 1.00 0.00 C ATOM 973 O GLU A 63 3.369 6.674 -2.722 1.00 0.00 O ATOM 974 CB GLU A 63 6.118 6.565 -1.188 1.00 0.00 C ATOM 975 CG GLU A 63 6.314 6.279 -2.668 1.00 0.00 C ATOM 976 CD GLU A 63 7.713 6.617 -3.146 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.668 6.440 -2.362 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.852 7.059 -4.306 1.00 0.00 O ATOM 0 H GLU A 63 3.624 4.705 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 63 4.571 6.824 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.451 7.581 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.753 5.894 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.113 5.225 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.588 6.853 -3.245 1.00 0.00 H new ATOM 985 N GLU A 64 3.355 8.376 -1.250 1.00 0.00 N ATOM 986 CA GLU A 64 2.463 9.206 -2.052 1.00 0.00 C ATOM 987 C GLU A 64 3.121 9.594 -3.372 1.00 0.00 C ATOM 988 O GLU A 64 4.323 9.857 -3.426 1.00 0.00 O ATOM 989 CB GLU A 64 2.067 10.464 -1.277 1.00 0.00 C ATOM 990 CG GLU A 64 3.232 11.399 -0.998 1.00 0.00 C ATOM 991 CD GLU A 64 4.020 10.998 0.234 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.433 10.359 1.131 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.224 11.324 0.299 1.00 0.00 O ATOM 0 H GLU A 64 3.650 8.801 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 64 1.567 8.625 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.306 11.004 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.613 10.170 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.897 11.412 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.856 12.414 -0.870 1.00 0.00 H new ATOM 1000 N VAL A 65 2.326 9.628 -4.437 1.00 0.00 N ATOM 1001 CA VAL A 65 2.830 9.984 -5.757 1.00 0.00 C ATOM 1002 C VAL A 65 1.833 10.860 -6.508 1.00 0.00 C ATOM 1003 O VAL A 65 0.636 10.575 -6.532 1.00 0.00 O ATOM 1004 CB VAL A 65 3.132 8.731 -6.600 1.00 0.00 C ATOM 1005 CG1 VAL A 65 1.921 7.812 -6.645 1.00 0.00 C ATOM 1006 CG2 VAL A 65 3.565 9.125 -8.004 1.00 0.00 C ATOM 0 H VAL A 65 1.329 9.413 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 65 3.755 10.540 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 65 3.952 8.188 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.154 6.932 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.661 7.502 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.078 8.342 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.774 8.227 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.768 9.691 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.464 9.739 -7.949 1.00 0.00 H new ATOM 1016 N SER A 66 2.335 11.926 -7.122 1.00 0.00 N ATOM 1017 CA SER A 66 1.488 12.846 -7.872 1.00 0.00 C ATOM 1018 C SER A 66 2.328 13.742 -8.778 1.00 0.00 C ATOM 1019 O SER A 66 3.484 14.038 -8.478 1.00 0.00 O ATOM 1020 CB SER A 66 0.658 13.704 -6.915 1.00 0.00 C ATOM 1021 OG SER A 66 1.431 14.764 -6.379 1.00 0.00 O ATOM 0 H SER A 66 3.324 12.174 -7.115 1.00 0.00 H new ATOM 0 HA SER A 66 0.816 12.256 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.206 14.110 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.275 13.084 -6.105 1.00 0.00 H new ATOM 0 HG SER A 66 0.877 15.298 -5.772 1.00 0.00 H new ATOM 1027 N GLY A 67 1.736 14.171 -9.888 1.00 0.00 N ATOM 1028 CA GLY A 67 2.443 15.029 -10.822 1.00 0.00 C ATOM 1029 C GLY A 67 3.224 14.242 -11.855 1.00 0.00 C ATOM 1030 O GLY A 67 3.451 13.040 -11.710 1.00 0.00 O ATOM 0 H GLY A 67 0.780 13.940 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.728 15.677 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.125 15.676 -10.271 1.00 0.00 H new ATOM 1034 N PRO A 68 3.648 14.925 -12.928 1.00 0.00 N ATOM 1035 CA PRO A 68 4.414 14.301 -14.012 1.00 0.00 C ATOM 1036 C PRO A 68 5.824 13.916 -13.578 1.00 0.00 C ATOM 1037 O PRO A 68 6.598 13.368 -14.363 1.00 0.00 O ATOM 1038 CB PRO A 68 4.464 15.392 -15.084 1.00 0.00 C ATOM 1039 CG PRO A 68 4.311 16.669 -14.333 1.00 0.00 C ATOM 1040 CD PRO A 68 3.413 16.359 -13.167 1.00 0.00 C ATOM 0 HA PRO A 68 3.957 13.371 -14.351 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.406 15.366 -15.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.666 15.265 -15.816 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.278 17.040 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.877 17.444 -14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.667 16.959 -12.293 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.368 16.562 -13.400 1.00 0.00 H new ATOM 1048 N SER A 69 6.152 14.205 -12.322 1.00 0.00 N ATOM 1049 CA SER A 69 7.471 13.892 -11.785 1.00 0.00 C ATOM 1050 C SER A 69 7.359 12.968 -10.576 1.00 0.00 C ATOM 1051 O SER A 69 6.704 13.298 -9.587 1.00 0.00 O ATOM 1052 CB SER A 69 8.204 15.177 -11.394 1.00 0.00 C ATOM 1053 OG SER A 69 7.559 15.821 -10.308 1.00 0.00 O ATOM 0 H SER A 69 5.522 14.655 -11.658 1.00 0.00 H new ATOM 0 HA SER A 69 8.040 13.380 -12.561 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.234 14.944 -11.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.244 15.851 -12.249 1.00 0.00 H new ATOM 0 HG SER A 69 6.976 15.182 -9.848 1.00 0.00 H new ATOM 1059 N SER A 70 8.004 11.809 -10.663 1.00 0.00 N ATOM 1060 CA SER A 70 7.975 10.835 -9.579 1.00 0.00 C ATOM 1061 C SER A 70 9.369 10.271 -9.318 1.00 0.00 C ATOM 1062 O SER A 70 10.025 9.762 -10.225 1.00 0.00 O ATOM 1063 CB SER A 70 7.007 9.698 -9.912 1.00 0.00 C ATOM 1064 OG SER A 70 6.840 8.830 -8.804 1.00 0.00 O ATOM 0 H SER A 70 8.553 11.522 -11.473 1.00 0.00 H new ATOM 0 HA SER A 70 7.632 11.342 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.041 10.112 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.383 9.135 -10.766 1.00 0.00 H new ATOM 0 HG SER A 70 6.216 8.113 -9.041 1.00 0.00 H new ATOM 1070 N GLY A 71 9.814 10.366 -8.068 1.00 0.00 N ATOM 1071 CA GLY A 71 11.127 9.862 -7.709 1.00 0.00 C ATOM 1072 C GLY A 71 11.424 10.022 -6.231 1.00 0.00 C ATOM 1073 O GLY A 71 12.033 9.147 -5.615 1.00 0.00 O ATOM 0 H GLY A 71 9.289 10.782 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.194 8.808 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.886 10.388 -8.288 1.00 0.00 H new TER 1077 GLY A 71