USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 848 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 5 THR OG1 : rot 62:sc= 0.275 USER MOD Set 1.2: A 6 GLN :FLIP amide:sc= -0.861 F(o=-2.1,f=-0.59) USER MOD Single : A 18 MET CE :methyl -132:sc= -0.596 (180deg=-0.86) USER MOD Single : A 19 MET CE :methyl -123:sc= -0.075 (180deg=-0.362) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0297 (180deg=-0.301) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= 1.27 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= 0.632 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.833 K(o=0.83,f=-0.8) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= -0.0959 (180deg=-0.523) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 106 MET CE :methyl -172:sc= -2.35! (180deg=-2.66!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.359 4.098 -4.584 1.00 0.00 N ATOM 42 CA LEU A 4 10.503 3.214 -4.729 1.00 0.00 C ATOM 43 C LEU A 4 10.033 1.806 -5.086 1.00 0.00 C ATOM 44 O LEU A 4 9.465 1.106 -4.251 1.00 0.00 O ATOM 45 CB LEU A 4 11.300 3.226 -3.417 1.00 0.00 C ATOM 46 CG LEU A 4 12.386 2.143 -3.373 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.361 2.314 -4.532 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.162 2.257 -2.066 1.00 0.00 C ATOM 0 HA LEU A 4 11.149 3.557 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.763 4.204 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.616 3.083 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 4 11.904 1.168 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.124 1.537 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.822 2.235 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.836 3.293 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.934 1.488 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.627 3.241 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.481 2.123 -1.226 1.00 0.00 H new ATOM 60 N THR A 5 10.280 1.390 -6.333 1.00 0.00 N ATOM 61 CA THR A 5 9.948 0.046 -6.789 1.00 0.00 C ATOM 62 C THR A 5 10.942 -0.324 -7.886 1.00 0.00 C ATOM 63 O THR A 5 11.427 -1.451 -7.905 1.00 0.00 O ATOM 64 CB THR A 5 8.532 0.029 -7.383 1.00 0.00 C ATOM 65 OG1 THR A 5 8.157 1.315 -7.833 1.00 0.00 O ATOM 66 CG2 THR A 5 7.530 -0.433 -6.328 1.00 0.00 C ATOM 0 H THR A 5 10.713 1.976 -7.047 1.00 0.00 H new ATOM 0 HA THR A 5 9.993 -0.656 -5.956 1.00 0.00 H new ATOM 0 HB THR A 5 8.532 -0.659 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.763 1.601 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.528 -0.442 -6.757 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.791 -1.437 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.555 0.250 -5.479 1.00 0.00 H new ATOM 74 N GLN A 6 11.254 0.605 -8.795 1.00 0.00 N ATOM 75 CA GLN A 6 12.211 0.336 -9.859 1.00 0.00 C ATOM 76 C GLN A 6 13.631 0.412 -9.316 1.00 0.00 C ATOM 77 O GLN A 6 14.089 1.481 -8.912 1.00 0.00 O ATOM 78 CB GLN A 6 12.015 1.317 -11.018 1.00 0.00 C ATOM 79 CG GLN A 6 10.707 1.045 -11.775 1.00 0.00 C ATOM 80 CD GLN A 6 9.462 1.317 -10.933 1.00 0.00 C ATOM 81 OE1 GLN A 6 9.421 2.457 -10.255 1.00 0.00 O flip ATOM 82 NE2 GLN A 6 8.545 0.500 -10.897 1.00 0.00 N flip ATOM 0 H GLN A 6 10.857 1.544 -8.811 1.00 0.00 H new ATOM 0 HA GLN A 6 12.041 -0.671 -10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.008 2.337 -10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.857 1.241 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.676 1.666 -12.670 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.695 0.007 -12.107 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.612 -0.366 -11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.717 0.688 -10.332 1.00 0.00 H new ATOM 91 N ILE A 7 14.330 -0.727 -9.303 1.00 0.00 N ATOM 92 CA ILE A 7 15.693 -0.799 -8.798 1.00 0.00 C ATOM 93 C ILE A 7 16.599 -1.492 -9.813 1.00 0.00 C ATOM 94 O ILE A 7 16.233 -2.525 -10.374 1.00 0.00 O ATOM 95 CB ILE A 7 15.701 -1.515 -7.439 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.879 -0.683 -6.440 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.145 -1.695 -6.951 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.006 -1.205 -5.011 1.00 0.00 C ATOM 0 H ILE A 7 13.964 -1.617 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 7 16.084 0.208 -8.651 1.00 0.00 H new ATOM 0 HB ILE A 7 15.255 -2.505 -7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.209 0.355 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.830 -0.694 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.143 -2.203 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.702 -2.291 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.618 -0.719 -6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.408 -0.585 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.650 -2.234 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.051 -1.169 -4.702 1.00 0.00 H new ATOM 110 N LEU A 8 17.785 -0.925 -10.049 1.00 0.00 N ATOM 111 CA LEU A 8 18.785 -1.539 -10.902 1.00 0.00 C ATOM 112 C LEU A 8 19.770 -2.335 -10.047 1.00 0.00 C ATOM 113 O LEU A 8 19.979 -2.021 -8.880 1.00 0.00 O ATOM 114 CB LEU A 8 19.511 -0.468 -11.721 1.00 0.00 C ATOM 115 CG LEU A 8 20.209 -1.093 -12.935 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.253 -1.124 -14.122 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.447 -0.289 -13.324 1.00 0.00 C ATOM 0 H LEU A 8 18.071 -0.030 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 8 18.297 -2.222 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.799 0.287 -12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.245 0.040 -11.095 1.00 0.00 H new ATOM 0 HG LEU A 8 20.510 -2.106 -12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.754 -1.569 -14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.375 -1.717 -13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.945 -0.108 -14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.925 -0.752 -14.187 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.155 0.731 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.147 -0.271 -12.488 1.00 0.00 H new ATOM 129 N ILE A 9 20.387 -3.365 -10.631 1.00 0.00 N ATOM 130 CA ILE A 9 21.374 -4.184 -9.943 1.00 0.00 C ATOM 131 C ILE A 9 22.656 -4.220 -10.768 1.00 0.00 C ATOM 132 O ILE A 9 22.607 -4.249 -11.995 1.00 0.00 O ATOM 133 CB ILE A 9 20.810 -5.595 -9.728 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.517 -5.553 -8.904 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.848 -6.470 -9.019 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.763 -6.876 -9.039 1.00 0.00 C ATOM 0 H ILE A 9 20.213 -3.651 -11.595 1.00 0.00 H new ATOM 0 HA ILE A 9 21.603 -3.759 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 9 20.580 -6.021 -10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.751 -5.364 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.887 -4.731 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.440 -7.470 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.749 -6.533 -9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.095 -6.031 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.847 -6.834 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.514 -7.047 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.390 -7.691 -8.677 1.00 0.00 H new ATOM 148 N VAL A 10 23.804 -4.218 -10.089 1.00 0.00 N ATOM 149 CA VAL A 10 25.101 -4.265 -10.748 1.00 0.00 C ATOM 150 C VAL A 10 26.014 -5.258 -10.040 1.00 0.00 C ATOM 151 O VAL A 10 26.497 -4.993 -8.941 1.00 0.00 O ATOM 152 CB VAL A 10 25.720 -2.866 -10.818 1.00 0.00 C ATOM 153 CG1 VAL A 10 26.961 -2.901 -11.704 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.730 -1.844 -11.381 1.00 0.00 C ATOM 0 H VAL A 10 23.856 -4.184 -9.071 1.00 0.00 H new ATOM 0 HA VAL A 10 24.969 -4.611 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 10 25.986 -2.565 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.401 -1.905 -11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.687 -3.598 -11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.683 -3.225 -12.707 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.202 -0.862 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.433 -2.141 -12.387 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.849 -1.800 -10.741 1.00 0.00 H new ATOM 164 N GLU A 11 26.246 -6.404 -10.685 1.00 0.00 N ATOM 165 CA GLU A 11 27.035 -7.494 -10.128 1.00 0.00 C ATOM 166 C GLU A 11 27.820 -8.177 -11.246 1.00 0.00 C ATOM 167 O GLU A 11 27.421 -8.114 -12.407 1.00 0.00 O ATOM 168 CB GLU A 11 26.106 -8.524 -9.468 1.00 0.00 C ATOM 169 CG GLU A 11 25.283 -7.938 -8.318 1.00 0.00 C ATOM 170 CD GLU A 11 26.141 -7.596 -7.099 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.315 -8.023 -7.071 1.00 0.00 O ATOM 172 OE2 GLU A 11 25.603 -6.904 -6.206 1.00 0.00 O ATOM 0 H GLU A 11 25.885 -6.599 -11.619 1.00 0.00 H new ATOM 0 HA GLU A 11 27.723 -7.093 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.430 -8.930 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.703 -9.356 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 24.772 -7.039 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 11 24.512 -8.651 -8.027 1.00 0.00 H new ATOM 179 N ASP A 12 28.932 -8.835 -10.901 1.00 0.00 N ATOM 180 CA ASP A 12 29.688 -9.621 -11.869 1.00 0.00 C ATOM 181 C ASP A 12 29.563 -11.115 -11.541 1.00 0.00 C ATOM 182 O ASP A 12 30.135 -11.956 -12.238 1.00 0.00 O ATOM 183 CB ASP A 12 31.154 -9.170 -11.892 1.00 0.00 C ATOM 184 CG ASP A 12 31.883 -9.391 -10.562 1.00 0.00 C ATOM 185 OD1 ASP A 12 33.095 -9.089 -10.529 1.00 0.00 O ATOM 186 OD2 ASP A 12 31.230 -9.858 -9.602 1.00 0.00 O ATOM 0 H ASP A 12 29.324 -8.836 -9.959 1.00 0.00 H new ATOM 0 HA ASP A 12 29.277 -9.459 -12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.680 -9.710 -12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.196 -8.112 -12.149 1.00 0.00 H new ATOM 191 N GLU A 13 28.816 -11.445 -10.482 1.00 0.00 N ATOM 192 CA GLU A 13 28.555 -12.820 -10.092 1.00 0.00 C ATOM 193 C GLU A 13 27.079 -13.137 -10.357 1.00 0.00 C ATOM 194 O GLU A 13 26.209 -12.345 -9.995 1.00 0.00 O ATOM 195 CB GLU A 13 28.889 -12.980 -8.599 1.00 0.00 C ATOM 196 CG GLU A 13 28.728 -14.425 -8.118 1.00 0.00 C ATOM 197 CD GLU A 13 29.855 -15.339 -8.617 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.819 -16.536 -8.252 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.731 -14.840 -9.354 1.00 0.00 O ATOM 0 H GLU A 13 28.376 -10.755 -9.873 1.00 0.00 H new ATOM 0 HA GLU A 13 29.171 -13.511 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.913 -12.652 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.240 -12.330 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.707 -14.442 -7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.770 -14.814 -8.462 1.00 0.00 H new ATOM 206 N PRO A 14 26.778 -14.287 -10.978 1.00 0.00 N ATOM 207 CA PRO A 14 25.412 -14.679 -11.274 1.00 0.00 C ATOM 208 C PRO A 14 24.628 -14.967 -10.001 1.00 0.00 C ATOM 209 O PRO A 14 23.445 -14.643 -9.922 1.00 0.00 O ATOM 210 CB PRO A 14 25.520 -15.940 -12.129 1.00 0.00 C ATOM 211 CG PRO A 14 26.930 -16.480 -11.874 1.00 0.00 C ATOM 212 CD PRO A 14 27.739 -15.257 -11.455 1.00 0.00 C ATOM 0 HA PRO A 14 24.879 -13.880 -11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.762 -16.671 -11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.370 -15.714 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 14 26.928 -17.241 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.345 -16.943 -12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.456 -15.512 -10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.310 -14.860 -12.295 1.00 0.00 H new ATOM 220 N LEU A 15 25.282 -15.568 -9.003 1.00 0.00 N ATOM 221 CA LEU A 15 24.606 -15.991 -7.786 1.00 0.00 C ATOM 222 C LEU A 15 24.064 -14.787 -7.021 1.00 0.00 C ATOM 223 O LEU A 15 22.938 -14.829 -6.529 1.00 0.00 O ATOM 224 CB LEU A 15 25.580 -16.775 -6.895 1.00 0.00 C ATOM 225 CG LEU A 15 25.676 -18.246 -7.311 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.298 -18.411 -8.694 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.543 -18.985 -6.297 1.00 0.00 C ATOM 0 H LEU A 15 26.282 -15.770 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 15 23.769 -16.632 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.568 -16.318 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.254 -16.712 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 15 24.665 -18.653 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.346 -19.470 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.689 -17.889 -9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.304 -17.992 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.620 -20.035 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.538 -18.540 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.091 -18.909 -5.308 1.00 0.00 H new ATOM 239 N ILE A 16 24.850 -13.711 -6.916 1.00 0.00 N ATOM 240 CA ILE A 16 24.417 -12.525 -6.184 1.00 0.00 C ATOM 241 C ILE A 16 23.374 -11.766 -7.001 1.00 0.00 C ATOM 242 O ILE A 16 22.502 -11.113 -6.431 1.00 0.00 O ATOM 243 CB ILE A 16 25.629 -11.634 -5.872 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.764 -12.426 -5.202 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.200 -10.460 -4.987 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.346 -13.016 -3.851 1.00 0.00 C ATOM 0 H ILE A 16 25.781 -13.640 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 16 23.961 -12.824 -5.240 1.00 0.00 H new ATOM 0 HB ILE A 16 26.015 -11.251 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.082 -13.231 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.625 -11.772 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.065 -9.833 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.445 -9.870 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.785 -10.841 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.183 -13.565 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.054 -12.211 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.503 -13.692 -3.994 1.00 0.00 H new ATOM 258 N ALA A 17 23.458 -11.843 -8.332 1.00 0.00 N ATOM 259 CA ALA A 17 22.539 -11.129 -9.202 1.00 0.00 C ATOM 260 C ALA A 17 21.150 -11.760 -9.163 1.00 0.00 C ATOM 261 O ALA A 17 20.160 -11.054 -8.998 1.00 0.00 O ATOM 262 CB ALA A 17 23.096 -11.141 -10.622 1.00 0.00 C ATOM 0 H ALA A 17 24.158 -12.397 -8.825 1.00 0.00 H new ATOM 0 HA ALA A 17 22.440 -10.100 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.414 -10.608 -11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.071 -10.653 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.202 -12.171 -10.963 1.00 0.00 H new ATOM 268 N MET A 18 21.065 -13.086 -9.312 1.00 0.00 N ATOM 269 CA MET A 18 19.774 -13.758 -9.369 1.00 0.00 C ATOM 270 C MET A 18 19.106 -13.766 -7.994 1.00 0.00 C ATOM 271 O MET A 18 17.885 -13.864 -7.903 1.00 0.00 O ATOM 272 CB MET A 18 19.961 -15.185 -9.893 1.00 0.00 C ATOM 273 CG MET A 18 20.706 -16.068 -8.889 1.00 0.00 C ATOM 274 SD MET A 18 20.948 -17.775 -9.452 1.00 0.00 S ATOM 275 CE MET A 18 22.121 -17.496 -10.804 1.00 0.00 C ATOM 0 H MET A 18 21.871 -13.706 -9.394 1.00 0.00 H new ATOM 0 HA MET A 18 19.120 -13.214 -10.051 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.987 -15.623 -10.109 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.513 -15.157 -10.832 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.679 -15.623 -8.680 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.153 -16.080 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 18 21.790 -18.037 -11.690 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.172 -16.430 -11.027 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.108 -17.853 -10.509 1.00 0.00 H new ATOM 285 N MET A 19 19.904 -13.660 -6.923 1.00 0.00 N ATOM 286 CA MET A 19 19.378 -13.582 -5.572 1.00 0.00 C ATOM 287 C MET A 19 18.746 -12.215 -5.313 1.00 0.00 C ATOM 288 O MET A 19 17.759 -12.115 -4.589 1.00 0.00 O ATOM 289 CB MET A 19 20.505 -13.866 -4.574 1.00 0.00 C ATOM 290 CG MET A 19 20.826 -15.364 -4.554 1.00 0.00 C ATOM 291 SD MET A 19 19.527 -16.405 -3.832 1.00 0.00 S ATOM 292 CE MET A 19 19.653 -15.880 -2.104 1.00 0.00 C ATOM 0 H MET A 19 20.922 -13.627 -6.977 1.00 0.00 H new ATOM 0 HA MET A 19 18.596 -14.331 -5.447 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.395 -13.299 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.211 -13.536 -3.578 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.014 -15.696 -5.575 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.749 -15.517 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.845 -16.748 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 19 20.471 -15.167 -1.999 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.719 -15.408 -1.798 1.00 0.00 H new ATOM 302 N LEU A 20 19.308 -11.158 -5.907 1.00 0.00 N ATOM 303 CA LEU A 20 18.771 -9.812 -5.751 1.00 0.00 C ATOM 304 C LEU A 20 17.519 -9.630 -6.605 1.00 0.00 C ATOM 305 O LEU A 20 16.605 -8.908 -6.215 1.00 0.00 O ATOM 306 CB LEU A 20 19.846 -8.796 -6.149 1.00 0.00 C ATOM 307 CG LEU A 20 20.933 -8.692 -5.074 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.083 -7.840 -5.605 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.378 -8.039 -3.811 1.00 0.00 C ATOM 0 H LEU A 20 20.136 -11.214 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 20 18.490 -9.654 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.295 -9.090 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.388 -7.819 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 20 21.282 -9.696 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.860 -7.762 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.497 -8.304 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.715 -6.844 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.165 -7.974 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.018 -7.038 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.554 -8.638 -3.423 1.00 0.00 H new ATOM 321 N GLU A 21 17.466 -10.280 -7.768 1.00 0.00 N ATOM 322 CA GLU A 21 16.297 -10.202 -8.636 1.00 0.00 C ATOM 323 C GLU A 21 15.106 -10.915 -7.995 1.00 0.00 C ATOM 324 O GLU A 21 13.957 -10.522 -8.202 1.00 0.00 O ATOM 325 CB GLU A 21 16.627 -10.835 -9.990 1.00 0.00 C ATOM 326 CG GLU A 21 17.645 -9.981 -10.749 1.00 0.00 C ATOM 327 CD GLU A 21 18.160 -10.682 -12.003 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.736 -11.835 -12.250 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.981 -10.054 -12.712 1.00 0.00 O ATOM 0 H GLU A 21 18.220 -10.865 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 21 16.030 -9.155 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.025 -11.839 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.717 -10.937 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.186 -9.032 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.484 -9.749 -10.093 1.00 0.00 H new ATOM 336 N ASP A 22 15.380 -11.964 -7.213 1.00 0.00 N ATOM 337 CA ASP A 22 14.336 -12.731 -6.551 1.00 0.00 C ATOM 338 C ASP A 22 13.758 -11.953 -5.368 1.00 0.00 C ATOM 339 O ASP A 22 12.543 -11.936 -5.165 1.00 0.00 O ATOM 340 CB ASP A 22 14.924 -14.070 -6.092 1.00 0.00 C ATOM 341 CG ASP A 22 13.908 -14.928 -5.336 1.00 0.00 C ATOM 342 OD1 ASP A 22 14.362 -15.749 -4.505 1.00 0.00 O ATOM 343 OD2 ASP A 22 12.696 -14.759 -5.593 1.00 0.00 O ATOM 0 H ASP A 22 16.325 -12.298 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 22 13.519 -12.914 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.285 -14.621 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.786 -13.884 -5.451 1.00 0.00 H new ATOM 348 N PHE A 23 14.623 -11.303 -4.583 1.00 0.00 N ATOM 349 CA PHE A 23 14.177 -10.564 -3.411 1.00 0.00 C ATOM 350 C PHE A 23 13.377 -9.303 -3.719 1.00 0.00 C ATOM 351 O PHE A 23 12.555 -8.881 -2.910 1.00 0.00 O ATOM 352 CB PHE A 23 15.344 -10.273 -2.475 1.00 0.00 C ATOM 353 CG PHE A 23 15.792 -11.469 -1.662 1.00 0.00 C ATOM 354 CD1 PHE A 23 14.864 -12.200 -0.903 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.140 -11.842 -1.663 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.288 -13.299 -0.149 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.566 -12.940 -0.906 1.00 0.00 C ATOM 358 CZ PHE A 23 16.641 -13.670 -0.149 1.00 0.00 C ATOM 0 H PHE A 23 15.630 -11.277 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 23 13.471 -11.222 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.187 -9.910 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.060 -9.470 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.823 -11.914 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.854 -11.282 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.574 -13.862 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.608 -13.224 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.969 -14.518 0.434 1.00 0.00 H new ATOM 368 N LEU A 24 13.605 -8.693 -4.885 1.00 0.00 N ATOM 369 CA LEU A 24 12.854 -7.510 -5.266 1.00 0.00 C ATOM 370 C LEU A 24 11.430 -7.897 -5.652 1.00 0.00 C ATOM 371 O LEU A 24 10.486 -7.194 -5.308 1.00 0.00 O ATOM 372 CB LEU A 24 13.551 -6.808 -6.435 1.00 0.00 C ATOM 373 CG LEU A 24 14.852 -6.135 -5.979 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.577 -5.587 -7.206 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.559 -4.972 -5.032 1.00 0.00 C ATOM 0 H LEU A 24 14.296 -8.999 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 24 12.811 -6.825 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.768 -7.532 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.883 -6.062 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 24 15.463 -6.872 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.504 -5.106 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.804 -6.405 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.941 -4.859 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.496 -4.510 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.942 -4.233 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.029 -5.342 -4.154 1.00 0.00 H new ATOM 387 N GLU A 25 11.269 -9.014 -6.364 1.00 0.00 N ATOM 388 CA GLU A 25 9.960 -9.422 -6.855 1.00 0.00 C ATOM 389 C GLU A 25 9.033 -9.832 -5.709 1.00 0.00 C ATOM 390 O GLU A 25 7.829 -9.591 -5.768 1.00 0.00 O ATOM 391 CB GLU A 25 10.149 -10.573 -7.845 1.00 0.00 C ATOM 392 CG GLU A 25 8.798 -11.103 -8.331 1.00 0.00 C ATOM 393 CD GLU A 25 8.965 -12.200 -9.380 1.00 0.00 C ATOM 394 OE1 GLU A 25 10.124 -12.482 -9.759 1.00 0.00 O ATOM 395 OE2 GLU A 25 7.921 -12.750 -9.799 1.00 0.00 O ATOM 0 H GLU A 25 12.029 -9.648 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 25 9.485 -8.578 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.738 -10.232 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.710 -11.378 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.234 -11.493 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.216 -10.283 -8.751 1.00 0.00 H new ATOM 402 N VAL A 26 9.586 -10.447 -4.658 1.00 0.00 N ATOM 403 CA VAL A 26 8.786 -10.871 -3.510 1.00 0.00 C ATOM 404 C VAL A 26 8.434 -9.693 -2.604 1.00 0.00 C ATOM 405 O VAL A 26 7.442 -9.745 -1.878 1.00 0.00 O ATOM 406 CB VAL A 26 9.514 -11.994 -2.757 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.716 -11.454 -1.988 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.558 -12.673 -1.779 1.00 0.00 C ATOM 0 H VAL A 26 10.580 -10.660 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 26 7.836 -11.267 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 26 9.866 -12.716 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.211 -12.272 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.416 -10.992 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.381 -10.711 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.083 -13.468 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.191 -11.940 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.717 -13.097 -2.327 1.00 0.00 H new ATOM 418 N LEU A 27 9.243 -8.630 -2.649 1.00 0.00 N ATOM 419 CA LEU A 27 8.949 -7.394 -1.937 1.00 0.00 C ATOM 420 C LEU A 27 8.032 -6.499 -2.779 1.00 0.00 C ATOM 421 O LEU A 27 7.885 -5.314 -2.482 1.00 0.00 O ATOM 422 CB LEU A 27 10.255 -6.674 -1.588 1.00 0.00 C ATOM 423 CG LEU A 27 11.062 -7.443 -0.537 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.419 -6.768 -0.355 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.351 -7.448 0.817 1.00 0.00 C ATOM 0 H LEU A 27 10.114 -8.607 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 27 8.426 -7.629 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.855 -6.551 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.031 -5.674 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 27 11.174 -8.470 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.998 -7.311 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.957 -6.770 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.272 -5.740 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.950 -8.002 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.220 -6.423 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.375 -7.923 0.714 1.00 0.00 H new ATOM 437 N ASP A 28 7.420 -7.059 -3.824 1.00 0.00 N ATOM 438 CA ASP A 28 6.569 -6.323 -4.753 1.00 0.00 C ATOM 439 C ASP A 28 7.282 -5.171 -5.466 1.00 0.00 C ATOM 440 O ASP A 28 6.640 -4.224 -5.924 1.00 0.00 O ATOM 441 CB ASP A 28 5.254 -5.902 -4.086 1.00 0.00 C ATOM 442 CG ASP A 28 4.338 -7.091 -3.789 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.698 -8.226 -4.171 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.274 -6.845 -3.180 1.00 0.00 O ATOM 0 H ASP A 28 7.504 -8.050 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 28 6.315 -7.015 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.474 -5.377 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.731 -5.198 -4.734 1.00 0.00 H new ATOM 449 N LYS A 29 8.611 -5.248 -5.561 1.00 0.00 N ATOM 450 CA LYS A 29 9.414 -4.256 -6.266 1.00 0.00 C ATOM 451 C LYS A 29 9.673 -4.754 -7.686 1.00 0.00 C ATOM 452 O LYS A 29 9.157 -5.802 -8.081 1.00 0.00 O ATOM 453 CB LYS A 29 10.735 -4.015 -5.515 1.00 0.00 C ATOM 454 CG LYS A 29 10.517 -3.782 -4.017 1.00 0.00 C ATOM 455 CD LYS A 29 9.597 -2.584 -3.765 1.00 0.00 C ATOM 456 CE LYS A 29 9.373 -2.387 -2.266 1.00 0.00 C ATOM 457 NZ LYS A 29 10.640 -2.099 -1.565 1.00 0.00 N ATOM 0 H LYS A 29 9.159 -6.003 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 29 8.881 -3.307 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.392 -4.873 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.243 -3.151 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.084 -4.676 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.478 -3.614 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.037 -1.684 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.641 -2.741 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.672 -1.567 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.917 -3.283 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.435 -1.724 -0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.196 -2.974 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.183 -1.396 -2.105 1.00 0.00 H new ATOM 471 N THR A 30 10.470 -4.010 -8.457 1.00 0.00 N ATOM 472 CA THR A 30 10.737 -4.353 -9.847 1.00 0.00 C ATOM 473 C THR A 30 12.216 -4.274 -10.224 1.00 0.00 C ATOM 474 O THR A 30 12.785 -3.182 -10.238 1.00 0.00 O ATOM 475 CB THR A 30 9.874 -3.509 -10.791 1.00 0.00 C ATOM 476 OG1 THR A 30 8.593 -3.301 -10.233 1.00 0.00 O ATOM 477 CG2 THR A 30 9.742 -4.202 -12.142 1.00 0.00 C ATOM 0 H THR A 30 10.941 -3.164 -8.136 1.00 0.00 H new ATOM 0 HA THR A 30 10.460 -5.401 -9.962 1.00 0.00 H new ATOM 0 HB THR A 30 10.358 -2.543 -10.931 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.053 -2.759 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.127 -3.593 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.731 -4.332 -12.582 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.274 -5.177 -12.007 1.00 0.00 H new ATOM 485 N PRO A 31 12.850 -5.414 -10.536 1.00 0.00 N ATOM 486 CA PRO A 31 14.187 -5.457 -11.093 1.00 0.00 C ATOM 487 C PRO A 31 14.120 -5.052 -12.565 1.00 0.00 C ATOM 488 O PRO A 31 13.915 -5.890 -13.438 1.00 0.00 O ATOM 489 CB PRO A 31 14.648 -6.905 -10.921 1.00 0.00 C ATOM 490 CG PRO A 31 13.346 -7.707 -10.949 1.00 0.00 C ATOM 491 CD PRO A 31 12.302 -6.752 -10.375 1.00 0.00 C ATOM 0 HA PRO A 31 14.883 -4.775 -10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.322 -7.208 -11.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.184 -7.045 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.090 -8.014 -11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.425 -8.615 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.352 -6.850 -10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.109 -6.971 -9.325 1.00 0.00 H new ATOM 499 N VAL A 32 14.289 -3.755 -12.842 1.00 0.00 N ATOM 500 CA VAL A 32 14.138 -3.217 -14.192 1.00 0.00 C ATOM 501 C VAL A 32 15.336 -3.547 -15.079 1.00 0.00 C ATOM 502 O VAL A 32 15.301 -3.267 -16.276 1.00 0.00 O ATOM 503 CB VAL A 32 13.905 -1.707 -14.136 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.679 -1.390 -13.286 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.116 -0.976 -13.548 1.00 0.00 C ATOM 0 H VAL A 32 14.532 -3.056 -12.141 1.00 0.00 H new ATOM 0 HA VAL A 32 13.267 -3.694 -14.641 1.00 0.00 H new ATOM 0 HB VAL A 32 13.748 -1.365 -15.159 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.526 -0.311 -13.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.801 -1.869 -13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.832 -1.763 -12.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.917 0.095 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.301 -1.335 -12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.992 -1.168 -14.167 1.00 0.00 H new ATOM 515 N GLY A 33 16.395 -4.133 -14.515 1.00 0.00 N ATOM 516 CA GLY A 33 17.539 -4.541 -15.306 1.00 0.00 C ATOM 517 C GLY A 33 18.754 -4.860 -14.445 1.00 0.00 C ATOM 518 O GLY A 33 18.804 -4.510 -13.267 1.00 0.00 O ATOM 0 H GLY A 33 16.476 -4.331 -13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.275 -5.418 -15.897 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.793 -3.748 -16.009 1.00 0.00 H new ATOM 522 N THR A 34 19.732 -5.525 -15.060 1.00 0.00 N ATOM 523 CA THR A 34 20.984 -5.902 -14.420 1.00 0.00 C ATOM 524 C THR A 34 22.150 -5.795 -15.391 1.00 0.00 C ATOM 525 O THR A 34 22.024 -6.187 -16.551 1.00 0.00 O ATOM 526 CB THR A 34 20.883 -7.310 -13.816 1.00 0.00 C ATOM 527 OG1 THR A 34 19.682 -7.448 -13.096 1.00 0.00 O ATOM 528 CG2 THR A 34 22.068 -7.590 -12.895 1.00 0.00 C ATOM 0 H THR A 34 19.671 -5.820 -16.034 1.00 0.00 H new ATOM 0 HA THR A 34 21.173 -5.203 -13.606 1.00 0.00 H new ATOM 0 HB THR A 34 20.896 -8.030 -14.634 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.474 -8.399 -12.986 1.00 0.00 H new ATOM 0 HG21 THR A 34 21.976 -8.593 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 34 22.995 -7.517 -13.463 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.080 -6.860 -12.085 1.00 0.00 H new ATOM 536 N VAL A 35 23.282 -5.269 -14.917 1.00 0.00 N ATOM 537 CA VAL A 35 24.467 -5.093 -15.751 1.00 0.00 C ATOM 538 C VAL A 35 25.733 -5.522 -15.011 1.00 0.00 C ATOM 539 O VAL A 35 25.739 -5.608 -13.785 1.00 0.00 O ATOM 540 CB VAL A 35 24.560 -3.648 -16.269 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.215 -3.168 -16.829 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.974 -2.702 -15.145 1.00 0.00 C ATOM 0 H VAL A 35 23.400 -4.957 -13.953 1.00 0.00 H new ATOM 0 HA VAL A 35 24.374 -5.744 -16.620 1.00 0.00 H new ATOM 0 HB VAL A 35 25.307 -3.640 -17.063 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.315 -2.143 -17.187 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.914 -3.813 -17.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.460 -3.206 -16.044 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.035 -1.684 -15.530 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.236 -2.744 -14.344 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.948 -3.002 -14.757 1.00 0.00 H new ATOM 552 N ASP A 36 26.804 -5.784 -15.763 1.00 0.00 N ATOM 553 CA ASP A 36 28.073 -6.245 -15.202 1.00 0.00 C ATOM 554 C ASP A 36 29.263 -5.360 -15.577 1.00 0.00 C ATOM 555 O ASP A 36 30.406 -5.678 -15.241 1.00 0.00 O ATOM 556 CB ASP A 36 28.318 -7.717 -15.552 1.00 0.00 C ATOM 557 CG ASP A 36 28.103 -8.037 -17.031 1.00 0.00 C ATOM 558 OD1 ASP A 36 27.945 -7.086 -17.829 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.099 -9.248 -17.345 1.00 0.00 O ATOM 0 H ASP A 36 26.815 -5.682 -16.778 1.00 0.00 H new ATOM 0 HA ASP A 36 27.985 -6.161 -14.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.338 -7.983 -15.276 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.653 -8.340 -14.953 1.00 0.00 H new ATOM 564 N THR A 37 28.997 -4.248 -16.270 1.00 0.00 N ATOM 565 CA THR A 37 30.002 -3.235 -16.565 1.00 0.00 C ATOM 566 C THR A 37 29.506 -1.847 -16.198 1.00 0.00 C ATOM 567 O THR A 37 28.309 -1.572 -16.287 1.00 0.00 O ATOM 568 CB THR A 37 30.481 -3.302 -18.017 1.00 0.00 C ATOM 569 OG1 THR A 37 29.528 -2.698 -18.862 1.00 0.00 O ATOM 570 CG2 THR A 37 30.726 -4.744 -18.460 1.00 0.00 C ATOM 0 H THR A 37 28.073 -4.029 -16.641 1.00 0.00 H new ATOM 0 HA THR A 37 30.870 -3.451 -15.942 1.00 0.00 H new ATOM 0 HB THR A 37 31.427 -2.764 -18.085 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.839 -2.742 -19.790 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.065 -4.754 -19.496 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.488 -5.195 -17.825 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.800 -5.313 -18.376 1.00 0.00 H new ATOM 578 N VAL A 38 30.413 -0.963 -15.781 1.00 0.00 N ATOM 579 CA VAL A 38 30.005 0.339 -15.278 1.00 0.00 C ATOM 580 C VAL A 38 29.541 1.279 -16.382 1.00 0.00 C ATOM 581 O VAL A 38 28.766 2.195 -16.126 1.00 0.00 O ATOM 582 CB VAL A 38 31.097 0.941 -14.389 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.185 1.651 -15.192 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.456 1.968 -13.467 1.00 0.00 C ATOM 0 H VAL A 38 31.420 -1.126 -15.783 1.00 0.00 H new ATOM 0 HA VAL A 38 29.125 0.192 -14.652 1.00 0.00 H new ATOM 0 HB VAL A 38 31.560 0.121 -13.840 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.932 2.058 -14.511 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.660 0.941 -15.869 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.741 2.461 -15.770 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.220 2.408 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.988 2.751 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.700 1.482 -12.850 1.00 0.00 H new ATOM 594 N ALA A 39 30.004 1.059 -17.614 1.00 0.00 N ATOM 595 CA ALA A 39 29.525 1.830 -18.747 1.00 0.00 C ATOM 596 C ALA A 39 28.085 1.434 -19.071 1.00 0.00 C ATOM 597 O ALA A 39 27.336 2.227 -19.639 1.00 0.00 O ATOM 598 CB ALA A 39 30.444 1.589 -19.942 1.00 0.00 C ATOM 0 H ALA A 39 30.706 0.356 -17.845 1.00 0.00 H new ATOM 0 HA ALA A 39 29.537 2.893 -18.507 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.089 2.166 -20.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.458 1.900 -19.690 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.442 0.529 -20.194 1.00 0.00 H new ATOM 604 N GLY A 40 27.696 0.207 -18.711 1.00 0.00 N ATOM 605 CA GLY A 40 26.324 -0.250 -18.865 1.00 0.00 C ATOM 606 C GLY A 40 25.461 0.270 -17.718 1.00 0.00 C ATOM 607 O GLY A 40 24.266 0.505 -17.894 1.00 0.00 O ATOM 0 H GLY A 40 28.324 -0.489 -18.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.923 0.097 -19.817 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.296 -1.339 -18.885 1.00 0.00 H new ATOM 611 N ALA A 41 26.065 0.454 -16.539 1.00 0.00 N ATOM 612 CA ALA A 41 25.355 0.978 -15.383 1.00 0.00 C ATOM 613 C ALA A 41 25.130 2.479 -15.537 1.00 0.00 C ATOM 614 O ALA A 41 24.104 2.999 -15.099 1.00 0.00 O ATOM 615 CB ALA A 41 26.179 0.675 -14.127 1.00 0.00 C ATOM 0 H ALA A 41 27.048 0.245 -16.367 1.00 0.00 H new ATOM 0 HA ALA A 41 24.377 0.504 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.660 1.062 -13.250 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.307 -0.403 -14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.156 1.150 -14.210 1.00 0.00 H new ATOM 621 N LEU A 42 26.086 3.174 -16.163 1.00 0.00 N ATOM 622 CA LEU A 42 25.941 4.592 -16.460 1.00 0.00 C ATOM 623 C LEU A 42 24.891 4.785 -17.548 1.00 0.00 C ATOM 624 O LEU A 42 24.186 5.793 -17.553 1.00 0.00 O ATOM 625 CB LEU A 42 27.291 5.142 -16.924 1.00 0.00 C ATOM 626 CG LEU A 42 28.224 5.404 -15.737 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.647 5.595 -16.249 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.795 6.668 -14.989 1.00 0.00 C ATOM 0 H LEU A 42 26.970 2.770 -16.472 1.00 0.00 H new ATOM 0 HA LEU A 42 25.619 5.128 -15.567 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.759 4.434 -17.608 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.138 6.067 -17.480 1.00 0.00 H new ATOM 0 HG LEU A 42 28.176 4.552 -15.059 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.314 5.782 -15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.968 4.696 -16.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.677 6.444 -16.931 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.468 6.840 -14.149 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.834 7.522 -15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.777 6.544 -14.619 1.00 0.00 H new ATOM 640 N ALA A 43 24.784 3.827 -18.471 1.00 0.00 N ATOM 641 CA ALA A 43 23.817 3.903 -19.555 1.00 0.00 C ATOM 642 C ALA A 43 22.410 3.587 -19.046 1.00 0.00 C ATOM 643 O ALA A 43 21.429 4.094 -19.588 1.00 0.00 O ATOM 644 CB ALA A 43 24.232 2.922 -20.652 1.00 0.00 C ATOM 0 H ALA A 43 25.362 2.986 -18.484 1.00 0.00 H new ATOM 0 HA ALA A 43 23.799 4.915 -19.960 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.515 2.968 -21.472 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.223 3.187 -21.021 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.254 1.911 -20.246 1.00 0.00 H new ATOM 650 N ARG A 44 22.304 2.752 -18.005 1.00 0.00 N ATOM 651 CA ARG A 44 21.015 2.382 -17.435 1.00 0.00 C ATOM 652 C ARG A 44 20.442 3.498 -16.565 1.00 0.00 C ATOM 653 O ARG A 44 19.253 3.792 -16.653 1.00 0.00 O ATOM 654 CB ARG A 44 21.166 1.096 -16.616 1.00 0.00 C ATOM 655 CG ARG A 44 21.064 -0.152 -17.501 1.00 0.00 C ATOM 656 CD ARG A 44 19.664 -0.262 -18.104 1.00 0.00 C ATOM 657 NE ARG A 44 19.443 -1.591 -18.685 1.00 0.00 N ATOM 658 CZ ARG A 44 18.341 -2.321 -18.486 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.343 -1.851 -17.739 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.235 -3.529 -19.033 1.00 0.00 N ATOM 0 H ARG A 44 23.104 2.321 -17.542 1.00 0.00 H new ATOM 0 HA ARG A 44 20.316 2.215 -18.255 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.128 1.101 -16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.395 1.061 -15.847 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.807 -0.103 -18.297 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.285 -1.042 -16.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.917 -0.069 -17.334 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.534 0.500 -18.872 1.00 0.00 H new ATOM 0 HE ARG A 44 20.176 -1.982 -19.277 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.416 -0.927 -17.313 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.506 -2.415 -17.593 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.995 -3.899 -19.604 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.394 -4.086 -18.881 1.00 0.00 H new ATOM 674 N VAL A 45 21.277 4.121 -15.730 1.00 0.00 N ATOM 675 CA VAL A 45 20.801 5.192 -14.858 1.00 0.00 C ATOM 676 C VAL A 45 20.509 6.474 -15.637 1.00 0.00 C ATOM 677 O VAL A 45 19.714 7.300 -15.195 1.00 0.00 O ATOM 678 CB VAL A 45 21.788 5.426 -13.702 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.056 6.141 -14.171 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.126 6.284 -12.627 1.00 0.00 C ATOM 0 H VAL A 45 22.270 3.906 -15.641 1.00 0.00 H new ATOM 0 HA VAL A 45 19.852 4.877 -14.424 1.00 0.00 H new ATOM 0 HB VAL A 45 22.063 4.448 -13.307 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.726 6.287 -13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.555 5.537 -14.929 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.792 7.110 -14.595 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.828 6.448 -11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.836 7.244 -13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.240 5.774 -12.248 1.00 0.00 H new ATOM 690 N GLU A 46 21.146 6.644 -16.800 1.00 0.00 N ATOM 691 CA GLU A 46 20.930 7.818 -17.632 1.00 0.00 C ATOM 692 C GLU A 46 19.554 7.764 -18.304 1.00 0.00 C ATOM 693 O GLU A 46 18.989 8.801 -18.646 1.00 0.00 O ATOM 694 CB GLU A 46 22.059 7.900 -18.665 1.00 0.00 C ATOM 695 CG GLU A 46 21.834 8.998 -19.713 1.00 0.00 C ATOM 696 CD GLU A 46 21.787 10.408 -19.111 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.559 11.352 -19.899 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.974 10.533 -17.876 1.00 0.00 O ATOM 0 H GLU A 46 21.817 5.977 -17.182 1.00 0.00 H new ATOM 0 HA GLU A 46 20.945 8.717 -17.016 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.002 8.084 -18.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.153 6.938 -19.169 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.632 8.953 -20.454 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.899 8.803 -20.239 1.00 0.00 H new ATOM 705 N ASP A 47 19.011 6.555 -18.498 1.00 0.00 N ATOM 706 CA ASP A 47 17.681 6.393 -19.073 1.00 0.00 C ATOM 707 C ASP A 47 16.569 6.815 -18.112 1.00 0.00 C ATOM 708 O ASP A 47 15.431 7.018 -18.530 1.00 0.00 O ATOM 709 CB ASP A 47 17.480 4.952 -19.560 1.00 0.00 C ATOM 710 CG ASP A 47 18.297 4.638 -20.816 1.00 0.00 C ATOM 711 OD1 ASP A 47 18.938 5.571 -21.349 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.265 3.460 -21.231 1.00 0.00 O ATOM 0 H ASP A 47 19.477 5.678 -18.263 1.00 0.00 H new ATOM 0 HA ASP A 47 17.615 7.064 -19.930 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.761 4.261 -18.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.423 4.786 -19.767 1.00 0.00 H new ATOM 717 N GLY A 48 16.899 6.947 -16.822 1.00 0.00 N ATOM 718 CA GLY A 48 15.954 7.399 -15.811 1.00 0.00 C ATOM 719 C GLY A 48 14.883 6.347 -15.534 1.00 0.00 C ATOM 720 O GLY A 48 14.987 5.204 -15.977 1.00 0.00 O ATOM 0 H GLY A 48 17.829 6.742 -16.456 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.488 7.627 -14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.480 8.323 -16.142 1.00 0.00 H new ATOM 724 N GLY A 49 13.845 6.744 -14.791 1.00 0.00 N ATOM 725 CA GLY A 49 12.747 5.859 -14.429 1.00 0.00 C ATOM 726 C GLY A 49 13.135 4.913 -13.289 1.00 0.00 C ATOM 727 O GLY A 49 12.298 4.149 -12.809 1.00 0.00 O ATOM 0 H GLY A 49 13.748 7.691 -14.426 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.883 6.454 -14.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.447 5.276 -15.300 1.00 0.00 H new ATOM 731 N ILE A 50 14.399 4.962 -12.855 1.00 0.00 N ATOM 732 CA ILE A 50 14.892 4.134 -11.764 1.00 0.00 C ATOM 733 C ILE A 50 14.829 4.916 -10.451 1.00 0.00 C ATOM 734 O ILE A 50 15.063 6.123 -10.436 1.00 0.00 O ATOM 735 CB ILE A 50 16.321 3.670 -12.076 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.339 2.862 -13.382 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.852 2.812 -10.926 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.761 2.735 -13.920 1.00 0.00 C ATOM 0 H ILE A 50 15.105 5.580 -13.255 1.00 0.00 H new ATOM 0 HA ILE A 50 14.265 3.249 -11.657 1.00 0.00 H new ATOM 0 HB ILE A 50 16.960 4.545 -12.193 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.921 1.870 -13.207 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.706 3.348 -14.125 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.867 2.486 -11.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.857 3.398 -10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.211 1.940 -10.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.750 2.159 -14.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.166 3.728 -14.115 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.384 2.227 -13.184 1.00 0.00 H new ATOM 750 N ASP A 51 14.513 4.226 -9.352 1.00 0.00 N ATOM 751 CA ASP A 51 14.330 4.863 -8.056 1.00 0.00 C ATOM 752 C ASP A 51 15.539 4.624 -7.152 1.00 0.00 C ATOM 753 O ASP A 51 15.798 5.422 -6.256 1.00 0.00 O ATOM 754 CB ASP A 51 13.075 4.291 -7.396 1.00 0.00 C ATOM 755 CG ASP A 51 11.838 4.420 -8.283 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.909 3.612 -8.064 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.829 5.310 -9.160 1.00 0.00 O ATOM 0 H ASP A 51 14.378 3.215 -9.341 1.00 0.00 H new ATOM 0 HA ASP A 51 14.223 5.938 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.240 3.240 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.897 4.807 -6.452 1.00 0.00 H new ATOM 762 N ALA A 52 16.275 3.533 -7.379 1.00 0.00 N ATOM 763 CA ALA A 52 17.459 3.199 -6.597 1.00 0.00 C ATOM 764 C ALA A 52 18.309 2.179 -7.352 1.00 0.00 C ATOM 765 O ALA A 52 17.883 1.655 -8.379 1.00 0.00 O ATOM 766 CB ALA A 52 17.029 2.640 -5.239 1.00 0.00 C ATOM 0 H ALA A 52 16.063 2.857 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 52 18.058 4.096 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.913 2.389 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.441 3.388 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.427 1.744 -5.389 1.00 0.00 H new ATOM 772 N ALA A 53 19.512 1.882 -6.854 1.00 0.00 N ATOM 773 CA ALA A 53 20.380 0.907 -7.505 1.00 0.00 C ATOM 774 C ALA A 53 21.284 0.196 -6.498 1.00 0.00 C ATOM 775 O ALA A 53 21.424 0.634 -5.356 1.00 0.00 O ATOM 776 CB ALA A 53 21.217 1.607 -8.577 1.00 0.00 C ATOM 0 H ALA A 53 19.902 2.300 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 53 19.754 0.146 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.866 0.880 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.556 2.057 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.826 2.384 -8.114 1.00 0.00 H new ATOM 782 N ILE A 54 21.902 -0.905 -6.934 1.00 0.00 N ATOM 783 CA ILE A 54 22.858 -1.662 -6.136 1.00 0.00 C ATOM 784 C ILE A 54 24.151 -1.809 -6.939 1.00 0.00 C ATOM 785 O ILE A 54 24.096 -1.966 -8.159 1.00 0.00 O ATOM 786 CB ILE A 54 22.266 -3.021 -5.740 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.840 -2.838 -5.193 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.171 -3.686 -4.692 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.248 -4.163 -4.713 1.00 0.00 C ATOM 0 H ILE A 54 21.748 -1.297 -7.863 1.00 0.00 H new ATOM 0 HA ILE A 54 23.082 -1.135 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 54 22.212 -3.665 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.854 -2.125 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.203 -2.414 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.752 -4.652 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.167 -3.831 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.237 -3.048 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.240 -3.995 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.210 -4.867 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.871 -4.573 -3.918 1.00 0.00 H new ATOM 801 N LEU A 55 25.305 -1.755 -6.266 1.00 0.00 N ATOM 802 CA LEU A 55 26.590 -1.669 -6.953 1.00 0.00 C ATOM 803 C LEU A 55 27.682 -2.466 -6.242 1.00 0.00 C ATOM 804 O LEU A 55 27.921 -2.266 -5.055 1.00 0.00 O ATOM 805 CB LEU A 55 26.991 -0.194 -7.043 1.00 0.00 C ATOM 806 CG LEU A 55 28.327 0.004 -7.764 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.212 -0.412 -9.230 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.714 1.477 -7.688 1.00 0.00 C ATOM 0 H LEU A 55 25.372 -1.770 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 55 26.481 -2.103 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.212 0.360 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.058 0.224 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 55 29.086 -0.614 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.171 -0.264 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 55 27.931 -1.464 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.452 0.195 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.665 1.630 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.943 2.081 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.811 1.774 -6.644 1.00 0.00 H new ATOM 820 N ASP A 56 28.349 -3.363 -6.973 1.00 0.00 N ATOM 821 CA ASP A 56 29.502 -4.084 -6.458 1.00 0.00 C ATOM 822 C ASP A 56 30.719 -3.161 -6.534 1.00 0.00 C ATOM 823 O ASP A 56 30.856 -2.385 -7.482 1.00 0.00 O ATOM 824 CB ASP A 56 29.700 -5.351 -7.300 1.00 0.00 C ATOM 825 CG ASP A 56 30.729 -6.314 -6.702 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.377 -5.939 -5.699 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.853 -7.425 -7.262 1.00 0.00 O ATOM 0 H ASP A 56 28.102 -3.605 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 56 29.358 -4.382 -5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.745 -5.866 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.017 -5.067 -8.304 1.00 0.00 H new ATOM 832 N VAL A 57 31.602 -3.237 -5.536 1.00 0.00 N ATOM 833 CA VAL A 57 32.770 -2.367 -5.443 1.00 0.00 C ATOM 834 C VAL A 57 33.688 -2.589 -6.648 1.00 0.00 C ATOM 835 O VAL A 57 34.397 -1.670 -7.062 1.00 0.00 O ATOM 836 CB VAL A 57 33.511 -2.673 -4.137 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.819 -1.887 -4.044 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.626 -2.287 -2.953 1.00 0.00 C ATOM 0 H VAL A 57 31.525 -3.906 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 57 32.456 -1.323 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 57 33.740 -3.739 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.321 -2.126 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.465 -2.155 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.605 -0.819 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.150 -2.503 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.397 -1.222 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.699 -2.860 -2.990 1.00 0.00 H new ATOM 848 N ASN A 58 33.673 -3.801 -7.210 1.00 0.00 N ATOM 849 CA ASN A 58 34.458 -4.124 -8.389 1.00 0.00 C ATOM 850 C ASN A 58 33.608 -4.932 -9.360 1.00 0.00 C ATOM 851 O ASN A 58 32.879 -5.833 -8.951 1.00 0.00 O ATOM 852 CB ASN A 58 35.714 -4.906 -7.991 1.00 0.00 C ATOM 853 CG ASN A 58 36.521 -4.188 -6.919 1.00 0.00 C ATOM 854 OD1 ASN A 58 37.085 -3.125 -7.161 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.586 -4.773 -5.727 1.00 0.00 N ATOM 0 H ASN A 58 33.116 -4.579 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 58 34.772 -3.202 -8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.426 -5.892 -7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.338 -5.060 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.119 -4.338 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.103 -5.657 -5.566 1.00 0.00 H new ATOM 862 N LEU A 59 33.708 -4.605 -10.651 1.00 0.00 N ATOM 863 CA LEU A 59 32.975 -5.284 -11.710 1.00 0.00 C ATOM 864 C LEU A 59 33.944 -6.171 -12.487 1.00 0.00 C ATOM 865 O LEU A 59 35.089 -6.355 -12.070 1.00 0.00 O ATOM 866 CB LEU A 59 32.314 -4.232 -12.608 1.00 0.00 C ATOM 867 CG LEU A 59 30.907 -3.878 -12.113 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.903 -3.448 -10.651 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.366 -2.727 -12.952 1.00 0.00 C ATOM 0 H LEU A 59 34.308 -3.852 -10.989 1.00 0.00 H new ATOM 0 HA LEU A 59 32.189 -5.919 -11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.930 -3.333 -12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.258 -4.607 -13.630 1.00 0.00 H new ATOM 0 HG LEU A 59 30.288 -4.770 -12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.885 -3.207 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.285 -4.260 -10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.536 -2.569 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.365 -2.466 -12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.022 -1.862 -12.849 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.324 -3.028 -13.999 1.00 0.00 H new ATOM 881 N ARG A 60 33.498 -6.722 -13.621 1.00 0.00 N ATOM 882 CA ARG A 60 34.330 -7.600 -14.428 1.00 0.00 C ATOM 883 C ARG A 60 35.668 -6.946 -14.752 1.00 0.00 C ATOM 884 O ARG A 60 35.746 -5.734 -14.953 1.00 0.00 O ATOM 885 CB ARG A 60 33.594 -8.014 -15.702 1.00 0.00 C ATOM 886 CG ARG A 60 32.408 -8.906 -15.336 1.00 0.00 C ATOM 887 CD ARG A 60 31.739 -9.424 -16.610 1.00 0.00 C ATOM 888 NE ARG A 60 30.545 -10.226 -16.310 1.00 0.00 N ATOM 889 CZ ARG A 60 30.562 -11.427 -15.721 1.00 0.00 C ATOM 890 NH1 ARG A 60 31.716 -12.006 -15.384 1.00 0.00 N ATOM 891 NH2 ARG A 60 29.420 -12.053 -15.466 1.00 0.00 N ATOM 0 H ARG A 60 32.561 -6.570 -13.996 1.00 0.00 H new ATOM 0 HA ARG A 60 34.538 -8.499 -13.848 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.247 -7.131 -16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.271 -8.546 -16.370 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.745 -9.743 -14.725 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.689 -8.345 -14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.462 -8.582 -17.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.450 -10.027 -17.175 1.00 0.00 H new ATOM 0 HE ARG A 60 29.638 -9.839 -16.570 1.00 0.00 H new ATOM 0 HH11 ARG A 60 32.599 -11.533 -15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 60 31.715 -12.922 -14.935 1.00 0.00 H new ATOM 0 HH21 ARG A 60 28.533 -11.618 -15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 60 29.430 -12.969 -15.017 1.00 0.00 H new ATOM 905 N GLY A 61 36.721 -7.764 -14.798 1.00 0.00 N ATOM 906 CA GLY A 61 38.086 -7.285 -14.964 1.00 0.00 C ATOM 907 C GLY A 61 38.677 -6.813 -13.634 1.00 0.00 C ATOM 908 O GLY A 61 39.845 -6.432 -13.580 1.00 0.00 O ATOM 0 H GLY A 61 36.647 -8.778 -14.721 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.705 -8.081 -15.377 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.101 -6.465 -15.682 1.00 0.00 H new ATOM 912 N GLY A 62 37.872 -6.835 -12.562 1.00 0.00 N ATOM 913 CA GLY A 62 38.310 -6.463 -11.220 1.00 0.00 C ATOM 914 C GLY A 62 38.450 -4.950 -11.060 1.00 0.00 C ATOM 915 O GLY A 62 38.901 -4.485 -10.012 1.00 0.00 O ATOM 0 H GLY A 62 36.892 -7.114 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.595 -6.840 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.267 -6.940 -11.006 1.00 0.00 H new ATOM 919 N GLU A 63 38.070 -4.183 -12.088 1.00 0.00 N ATOM 920 CA GLU A 63 38.167 -2.728 -12.044 1.00 0.00 C ATOM 921 C GLU A 63 37.130 -2.164 -11.071 1.00 0.00 C ATOM 922 O GLU A 63 36.002 -2.652 -11.006 1.00 0.00 O ATOM 923 CB GLU A 63 37.977 -2.172 -13.460 1.00 0.00 C ATOM 924 CG GLU A 63 38.077 -0.643 -13.505 1.00 0.00 C ATOM 925 CD GLU A 63 39.482 -0.127 -13.181 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.385 -0.968 -12.967 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.640 1.112 -13.152 1.00 0.00 O ATOM 0 H GLU A 63 37.692 -4.551 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 63 39.151 -2.427 -11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.730 -2.602 -14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.004 -2.481 -13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.787 -0.294 -14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 63 37.367 -0.217 -12.797 1.00 0.00 H new ATOM 934 N LYS A 64 37.514 -1.128 -10.314 1.00 0.00 N ATOM 935 CA LYS A 64 36.631 -0.510 -9.334 1.00 0.00 C ATOM 936 C LYS A 64 35.501 0.236 -10.036 1.00 0.00 C ATOM 937 O LYS A 64 35.621 0.590 -11.209 1.00 0.00 O ATOM 938 CB LYS A 64 37.433 0.436 -8.435 1.00 0.00 C ATOM 939 CG LYS A 64 37.862 1.694 -9.198 1.00 0.00 C ATOM 940 CD LYS A 64 38.827 2.532 -8.357 1.00 0.00 C ATOM 941 CE LYS A 64 38.138 3.009 -7.074 1.00 0.00 C ATOM 942 NZ LYS A 64 39.044 3.844 -6.263 1.00 0.00 N ATOM 0 H LYS A 64 38.439 -0.702 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 64 36.188 -1.288 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.831 0.719 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.314 -0.080 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.340 1.411 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.984 2.288 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.709 1.942 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.171 3.390 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 64 37.244 3.578 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 64 37.813 2.148 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 38.552 4.153 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.885 3.291 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 39.334 4.677 -6.814 1.00 0.00 H new ATOM 956 N SER A 65 34.406 0.479 -9.314 1.00 0.00 N ATOM 957 CA SER A 65 33.264 1.186 -9.865 1.00 0.00 C ATOM 958 C SER A 65 32.579 2.032 -8.801 1.00 0.00 C ATOM 959 O SER A 65 31.996 1.501 -7.859 1.00 0.00 O ATOM 960 CB SER A 65 32.274 0.179 -10.448 1.00 0.00 C ATOM 961 OG SER A 65 32.820 -0.426 -11.601 1.00 0.00 O ATOM 0 H SER A 65 34.292 0.192 -8.342 1.00 0.00 H new ATOM 0 HA SER A 65 33.616 1.853 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.038 -0.583 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.339 0.680 -10.699 1.00 0.00 H new ATOM 0 HG SER A 65 33.178 -1.308 -11.369 1.00 0.00 H new ATOM 967 N THR A 66 32.651 3.358 -8.960 1.00 0.00 N ATOM 968 CA THR A 66 31.870 4.305 -8.172 1.00 0.00 C ATOM 969 C THR A 66 31.194 5.445 -8.956 1.00 0.00 C ATOM 970 O THR A 66 30.595 6.313 -8.325 1.00 0.00 O ATOM 971 CB THR A 66 32.686 4.867 -6.997 1.00 0.00 C ATOM 972 OG1 THR A 66 33.398 6.011 -7.419 1.00 0.00 O ATOM 973 CG2 THR A 66 33.677 3.856 -6.428 1.00 0.00 C ATOM 0 H THR A 66 33.260 3.803 -9.647 1.00 0.00 H new ATOM 0 HA THR A 66 31.043 3.703 -7.796 1.00 0.00 H new ATOM 0 HB THR A 66 31.975 5.116 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 66 33.916 6.369 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.224 4.309 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.137 2.980 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.378 3.556 -7.207 1.00 0.00 H new ATOM 981 N PRO A 67 31.254 5.491 -10.303 1.00 0.00 N ATOM 982 CA PRO A 67 30.743 6.629 -11.047 1.00 0.00 C ATOM 983 C PRO A 67 29.219 6.684 -10.982 1.00 0.00 C ATOM 984 O PRO A 67 28.638 7.762 -11.101 1.00 0.00 O ATOM 985 CB PRO A 67 31.223 6.423 -12.485 1.00 0.00 C ATOM 986 CG PRO A 67 31.362 4.914 -12.600 1.00 0.00 C ATOM 987 CD PRO A 67 31.792 4.490 -11.201 1.00 0.00 C ATOM 0 HA PRO A 67 31.099 7.573 -10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.508 6.816 -13.207 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.171 6.929 -12.668 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.422 4.445 -12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.102 4.635 -13.350 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.408 3.499 -10.957 1.00 0.00 H new ATOM 0 HD3 PRO A 67 32.878 4.439 -11.124 1.00 0.00 H new ATOM 995 N VAL A 68 28.566 5.530 -10.792 1.00 0.00 N ATOM 996 CA VAL A 68 27.112 5.481 -10.690 1.00 0.00 C ATOM 997 C VAL A 68 26.646 5.705 -9.256 1.00 0.00 C ATOM 998 O VAL A 68 25.551 6.213 -9.049 1.00 0.00 O ATOM 999 CB VAL A 68 26.574 4.156 -11.236 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.067 3.933 -12.659 1.00 0.00 C ATOM 1001 CG2 VAL A 68 26.989 2.976 -10.364 1.00 0.00 C ATOM 0 H VAL A 68 29.025 4.623 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 68 26.710 6.291 -11.298 1.00 0.00 H new ATOM 0 HB VAL A 68 25.486 4.219 -11.229 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.677 2.987 -13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.721 4.747 -13.296 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.157 3.905 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.588 2.054 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.077 2.915 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.600 3.114 -9.355 1.00 0.00 H new ATOM 1011 N ALA A 69 27.458 5.338 -8.267 1.00 0.00 N ATOM 1012 CA ALA A 69 27.098 5.577 -6.880 1.00 0.00 C ATOM 1013 C ALA A 69 27.211 7.070 -6.574 1.00 0.00 C ATOM 1014 O ALA A 69 26.480 7.597 -5.738 1.00 0.00 O ATOM 1015 CB ALA A 69 28.014 4.758 -5.981 1.00 0.00 C ATOM 0 H ALA A 69 28.359 4.879 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 69 26.068 5.271 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.750 4.932 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.899 3.699 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.049 5.056 -6.148 1.00 0.00 H new ATOM 1021 N GLU A 70 28.132 7.748 -7.264 1.00 0.00 N ATOM 1022 CA GLU A 70 28.260 9.193 -7.170 1.00 0.00 C ATOM 1023 C GLU A 70 27.155 9.877 -7.972 1.00 0.00 C ATOM 1024 O GLU A 70 26.745 10.988 -7.636 1.00 0.00 O ATOM 1025 CB GLU A 70 29.641 9.611 -7.687 1.00 0.00 C ATOM 1026 CG GLU A 70 30.740 9.171 -6.711 1.00 0.00 C ATOM 1027 CD GLU A 70 30.735 9.995 -5.424 1.00 0.00 C ATOM 1028 OE1 GLU A 70 31.466 9.595 -4.492 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.006 11.014 -5.376 1.00 0.00 O ATOM 0 H GLU A 70 28.801 7.310 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 70 28.160 9.500 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.818 9.167 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.674 10.693 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.605 8.117 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.712 9.264 -7.196 1.00 0.00 H new ATOM 1036 N ALA A 71 26.669 9.221 -9.031 1.00 0.00 N ATOM 1037 CA ALA A 71 25.572 9.747 -9.826 1.00 0.00 C ATOM 1038 C ALA A 71 24.244 9.556 -9.093 1.00 0.00 C ATOM 1039 O ALA A 71 23.337 10.373 -9.241 1.00 0.00 O ATOM 1040 CB ALA A 71 25.543 9.036 -11.178 1.00 0.00 C ATOM 0 H ALA A 71 27.025 8.321 -9.353 1.00 0.00 H new ATOM 0 HA ALA A 71 25.721 10.815 -9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.721 9.428 -11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.485 9.206 -11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.402 7.966 -11.024 1.00 0.00 H new ATOM 1046 N LEU A 72 24.122 8.486 -8.304 1.00 0.00 N ATOM 1047 CA LEU A 72 22.914 8.241 -7.526 1.00 0.00 C ATOM 1048 C LEU A 72 22.813 9.286 -6.418 1.00 0.00 C ATOM 1049 O LEU A 72 21.716 9.694 -6.048 1.00 0.00 O ATOM 1050 CB LEU A 72 22.968 6.827 -6.924 1.00 0.00 C ATOM 1051 CG LEU A 72 22.524 5.707 -7.888 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.155 5.186 -7.466 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.425 6.136 -9.346 1.00 0.00 C ATOM 0 H LEU A 72 24.847 7.778 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 72 22.036 8.315 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 72 23.987 6.624 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.335 6.798 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 72 23.299 4.943 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.841 4.395 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.213 4.790 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.431 6.000 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.107 5.289 -9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.698 6.943 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.399 6.484 -9.690 1.00 0.00 H new ATOM 1065 N ALA A 73 23.961 9.726 -5.889 1.00 0.00 N ATOM 1066 CA ALA A 73 23.985 10.755 -4.862 1.00 0.00 C ATOM 1067 C ALA A 73 23.658 12.123 -5.465 1.00 0.00 C ATOM 1068 O ALA A 73 23.116 12.987 -4.777 1.00 0.00 O ATOM 1069 CB ALA A 73 25.369 10.774 -4.213 1.00 0.00 C ATOM 0 H ALA A 73 24.882 9.381 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 73 23.231 10.533 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.398 11.543 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.574 9.802 -3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.123 10.991 -4.970 1.00 0.00 H new ATOM 1075 N ALA A 74 23.983 12.322 -6.747 1.00 0.00 N ATOM 1076 CA ALA A 74 23.700 13.577 -7.431 1.00 0.00 C ATOM 1077 C ALA A 74 22.244 13.625 -7.894 1.00 0.00 C ATOM 1078 O ALA A 74 21.652 14.701 -7.976 1.00 0.00 O ATOM 1079 CB ALA A 74 24.642 13.707 -8.626 1.00 0.00 C ATOM 0 H ALA A 74 24.444 11.623 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 74 23.858 14.408 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.441 14.643 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.675 13.700 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.483 12.871 -9.307 1.00 0.00 H new ATOM 1085 N ARG A 75 21.672 12.456 -8.196 1.00 0.00 N ATOM 1086 CA ARG A 75 20.290 12.331 -8.643 1.00 0.00 C ATOM 1087 C ARG A 75 19.337 12.178 -7.461 1.00 0.00 C ATOM 1088 O ARG A 75 18.138 11.984 -7.653 1.00 0.00 O ATOM 1089 CB ARG A 75 20.180 11.145 -9.602 1.00 0.00 C ATOM 1090 CG ARG A 75 20.944 11.439 -10.896 1.00 0.00 C ATOM 1091 CD ARG A 75 21.036 10.170 -11.743 1.00 0.00 C ATOM 1092 NE ARG A 75 21.925 10.368 -12.895 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.522 10.436 -14.167 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.234 10.351 -14.481 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.421 10.592 -15.136 1.00 0.00 N ATOM 0 H ARG A 75 22.163 11.564 -8.135 1.00 0.00 H new ATOM 0 HA ARG A 75 20.000 13.242 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.581 10.248 -9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.132 10.946 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.439 12.226 -11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.944 11.805 -10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.405 9.347 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.042 9.888 -12.091 1.00 0.00 H new ATOM 0 HE ARG A 75 22.924 10.460 -12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.537 10.232 -13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.942 10.405 -15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.412 10.659 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.119 10.644 -16.109 1.00 0.00 H new ATOM 1109 N ASP A 76 19.870 12.262 -6.239 1.00 0.00 N ATOM 1110 CA ASP A 76 19.089 12.156 -5.015 1.00 0.00 C ATOM 1111 C ASP A 76 18.263 10.861 -4.987 1.00 0.00 C ATOM 1112 O ASP A 76 17.074 10.875 -4.665 1.00 0.00 O ATOM 1113 CB ASP A 76 18.244 13.420 -4.818 1.00 0.00 C ATOM 1114 CG ASP A 76 17.432 13.391 -3.525 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.840 12.660 -2.590 1.00 0.00 O ATOM 1116 OD2 ASP A 76 16.406 14.108 -3.483 1.00 0.00 O ATOM 0 H ASP A 76 20.866 12.407 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 76 19.766 12.089 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.898 14.292 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.567 13.535 -5.665 1.00 0.00 H new ATOM 1121 N ILE A 77 18.900 9.739 -5.331 1.00 0.00 N ATOM 1122 CA ILE A 77 18.272 8.423 -5.256 1.00 0.00 C ATOM 1123 C ILE A 77 19.141 7.485 -4.408 1.00 0.00 C ATOM 1124 O ILE A 77 20.366 7.560 -4.478 1.00 0.00 O ATOM 1125 CB ILE A 77 18.024 7.848 -6.660 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.059 8.356 -7.677 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.629 8.266 -7.126 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.851 7.717 -9.054 1.00 0.00 C ATOM 0 H ILE A 77 19.863 9.720 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 77 17.298 8.521 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 77 18.110 6.763 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 77 18.985 9.440 -7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.064 8.132 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.442 7.863 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 77 15.883 7.879 -6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.566 9.354 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.599 8.098 -9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.950 6.635 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.855 7.963 -9.423 1.00 0.00 H new ATOM 1140 N PRO A 78 18.529 6.596 -3.607 1.00 0.00 N ATOM 1141 CA PRO A 78 19.240 5.699 -2.709 1.00 0.00 C ATOM 1142 C PRO A 78 20.100 4.691 -3.464 1.00 0.00 C ATOM 1143 O PRO A 78 19.805 4.343 -4.608 1.00 0.00 O ATOM 1144 CB PRO A 78 18.163 4.979 -1.890 1.00 0.00 C ATOM 1145 CG PRO A 78 16.893 5.805 -2.095 1.00 0.00 C ATOM 1146 CD PRO A 78 17.097 6.429 -3.467 1.00 0.00 C ATOM 0 HA PRO A 78 19.927 6.262 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.026 3.953 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.436 4.929 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.999 5.182 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.778 6.564 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.698 5.788 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.581 7.386 -3.544 1.00 0.00 H new ATOM 1154 N PHE A 79 21.165 4.215 -2.816 1.00 0.00 N ATOM 1155 CA PHE A 79 22.050 3.213 -3.387 1.00 0.00 C ATOM 1156 C PHE A 79 22.622 2.277 -2.323 1.00 0.00 C ATOM 1157 O PHE A 79 22.798 2.679 -1.171 1.00 0.00 O ATOM 1158 CB PHE A 79 23.162 3.869 -4.217 1.00 0.00 C ATOM 1159 CG PHE A 79 23.925 4.961 -3.504 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.183 4.686 -2.948 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.386 6.252 -3.409 1.00 0.00 C ATOM 1162 CE1 PHE A 79 25.903 5.704 -2.307 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.108 7.268 -2.767 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.368 6.996 -2.220 1.00 0.00 C ATOM 0 H PHE A 79 21.433 4.518 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 79 21.451 2.597 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.866 3.098 -4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.722 4.285 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.597 3.691 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.414 6.464 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 79 26.872 5.492 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 79 23.692 8.262 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 79 25.927 7.781 -1.732 1.00 0.00 H new ATOM 1174 N VAL A 80 22.911 1.029 -2.704 1.00 0.00 N ATOM 1175 CA VAL A 80 23.536 0.057 -1.810 1.00 0.00 C ATOM 1176 C VAL A 80 24.791 -0.497 -2.469 1.00 0.00 C ATOM 1177 O VAL A 80 24.810 -0.729 -3.677 1.00 0.00 O ATOM 1178 CB VAL A 80 22.565 -1.093 -1.499 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.245 -2.147 -0.626 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.337 -0.622 -0.734 1.00 0.00 C ATOM 0 H VAL A 80 22.718 0.668 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 80 23.797 0.553 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 80 22.266 -1.501 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.543 -2.954 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.113 -2.549 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.565 -1.692 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.682 -1.471 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.646 -0.177 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.802 0.120 -1.326 1.00 0.00 H new ATOM 1190 N PHE A 81 25.840 -0.714 -1.676 1.00 0.00 N ATOM 1191 CA PHE A 81 27.042 -1.378 -2.158 1.00 0.00 C ATOM 1192 C PHE A 81 27.007 -2.891 -1.994 1.00 0.00 C ATOM 1193 O PHE A 81 26.203 -3.416 -1.226 1.00 0.00 O ATOM 1194 CB PHE A 81 28.298 -0.753 -1.553 1.00 0.00 C ATOM 1195 CG PHE A 81 28.705 0.539 -2.226 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.383 1.770 -1.641 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.412 0.505 -3.440 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.780 2.963 -2.257 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.820 1.699 -4.048 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.503 2.929 -3.458 1.00 0.00 C ATOM 0 H PHE A 81 25.878 -0.437 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 81 27.077 -1.212 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.128 -0.565 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.120 -1.466 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.828 1.799 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.641 -0.443 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.529 3.912 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.379 1.671 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.815 3.850 -3.927 1.00 0.00 H new ATOM 1210 N ALA A 82 27.878 -3.602 -2.708 1.00 0.00 N ATOM 1211 CA ALA A 82 27.984 -5.043 -2.575 1.00 0.00 C ATOM 1212 C ALA A 82 29.449 -5.440 -2.461 1.00 0.00 C ATOM 1213 O ALA A 82 30.308 -4.848 -3.111 1.00 0.00 O ATOM 1214 CB ALA A 82 27.299 -5.731 -3.749 1.00 0.00 C ATOM 0 H ALA A 82 28.521 -3.195 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 82 27.476 -5.367 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.385 -6.812 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.246 -5.451 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.775 -5.423 -4.680 1.00 0.00 H new ATOM 1220 N THR A 83 29.731 -6.451 -1.635 1.00 0.00 N ATOM 1221 CA THR A 83 31.097 -6.891 -1.378 1.00 0.00 C ATOM 1222 C THR A 83 31.114 -8.412 -1.301 1.00 0.00 C ATOM 1223 O THR A 83 30.074 -9.059 -1.400 1.00 0.00 O ATOM 1224 CB THR A 83 31.588 -6.287 -0.061 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.664 -6.546 0.971 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.757 -4.774 -0.205 1.00 0.00 C ATOM 0 H THR A 83 29.021 -6.982 -1.130 1.00 0.00 H new ATOM 0 HA THR A 83 31.757 -6.561 -2.180 1.00 0.00 H new ATOM 0 HB THR A 83 32.547 -6.742 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.991 -6.156 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 83 32.107 -4.356 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.485 -4.562 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.800 -4.324 -0.469 1.00 0.00 H new ATOM 1234 N GLY A 84 32.306 -8.989 -1.127 1.00 0.00 N ATOM 1235 CA GLY A 84 32.477 -10.431 -1.039 1.00 0.00 C ATOM 1236 C GLY A 84 33.387 -10.789 0.135 1.00 0.00 C ATOM 1237 O GLY A 84 33.638 -9.953 1.004 1.00 0.00 O ATOM 0 H GLY A 84 33.177 -8.464 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.507 -10.912 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.904 -10.810 -1.967 1.00 0.00 H new ATOM 1241 N GLY A 85 33.880 -12.029 0.156 1.00 0.00 N ATOM 1242 CA GLY A 85 34.742 -12.510 1.229 1.00 0.00 C ATOM 1243 C GLY A 85 36.138 -11.886 1.165 1.00 0.00 C ATOM 1244 O GLY A 85 36.907 -12.008 2.117 1.00 0.00 O ATOM 0 H GLY A 85 33.692 -12.722 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.286 -12.280 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.827 -13.595 1.168 1.00 0.00 H new ATOM 1248 N SER A 86 36.465 -11.219 0.054 1.00 0.00 N ATOM 1249 CA SER A 86 37.747 -10.535 -0.113 1.00 0.00 C ATOM 1250 C SER A 86 37.583 -9.231 -0.892 1.00 0.00 C ATOM 1251 O SER A 86 38.513 -8.427 -0.958 1.00 0.00 O ATOM 1252 CB SER A 86 38.734 -11.458 -0.833 1.00 0.00 C ATOM 1253 OG SER A 86 39.059 -12.559 -0.010 1.00 0.00 O ATOM 0 H SER A 86 35.847 -11.139 -0.754 1.00 0.00 H new ATOM 0 HA SER A 86 38.134 -10.287 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.299 -11.809 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.638 -10.907 -1.090 1.00 0.00 H new ATOM 0 HG SER A 86 39.689 -13.144 -0.480 1.00 0.00 H new ATOM 1259 N ASP A 87 36.401 -9.017 -1.482 1.00 0.00 N ATOM 1260 CA ASP A 87 36.091 -7.794 -2.214 1.00 0.00 C ATOM 1261 C ASP A 87 35.544 -6.696 -1.296 1.00 0.00 C ATOM 1262 O ASP A 87 35.110 -5.647 -1.769 1.00 0.00 O ATOM 1263 CB ASP A 87 35.135 -8.096 -3.371 1.00 0.00 C ATOM 1264 CG ASP A 87 35.777 -8.965 -4.451 1.00 0.00 C ATOM 1265 OD1 ASP A 87 35.043 -9.335 -5.396 1.00 0.00 O ATOM 1266 OD2 ASP A 87 36.989 -9.257 -4.330 1.00 0.00 O ATOM 0 H ASP A 87 35.635 -9.691 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 87 37.021 -7.408 -2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 87 34.249 -8.599 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.800 -7.159 -3.815 1.00 0.00 H new ATOM 1271 N ASP A 88 35.567 -6.935 0.016 1.00 0.00 N ATOM 1272 CA ASP A 88 35.084 -5.989 1.009 1.00 0.00 C ATOM 1273 C ASP A 88 36.069 -4.844 1.263 1.00 0.00 C ATOM 1274 O ASP A 88 35.945 -4.118 2.252 1.00 0.00 O ATOM 1275 CB ASP A 88 34.687 -6.703 2.305 1.00 0.00 C ATOM 1276 CG ASP A 88 35.788 -7.610 2.862 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.487 -8.313 3.854 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.909 -7.601 2.304 1.00 0.00 O ATOM 0 H ASP A 88 35.926 -7.801 0.418 1.00 0.00 H new ATOM 0 HA ASP A 88 34.187 -5.527 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.426 -5.958 3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.793 -7.299 2.123 1.00 0.00 H new ATOM 1283 N SER A 89 37.048 -4.674 0.370 1.00 0.00 N ATOM 1284 CA SER A 89 38.026 -3.596 0.444 1.00 0.00 C ATOM 1285 C SER A 89 37.405 -2.274 -0.018 1.00 0.00 C ATOM 1286 O SER A 89 38.066 -1.452 -0.652 1.00 0.00 O ATOM 1287 CB SER A 89 39.253 -3.970 -0.391 1.00 0.00 C ATOM 1288 OG SER A 89 40.264 -2.997 -0.238 1.00 0.00 O ATOM 0 H SER A 89 37.181 -5.290 -0.432 1.00 0.00 H new ATOM 0 HA SER A 89 38.342 -3.457 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.628 -4.946 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 89 38.975 -4.053 -1.442 1.00 0.00 H new ATOM 0 HG SER A 89 39.876 -2.103 -0.343 1.00 0.00 H new ATOM 1294 N VAL A 90 36.122 -2.064 0.302 1.00 0.00 N ATOM 1295 CA VAL A 90 35.392 -0.864 -0.088 1.00 0.00 C ATOM 1296 C VAL A 90 36.056 0.377 0.502 1.00 0.00 C ATOM 1297 O VAL A 90 36.647 0.326 1.581 1.00 0.00 O ATOM 1298 CB VAL A 90 33.923 -1.000 0.343 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.800 -1.151 1.856 1.00 0.00 C ATOM 1300 CG2 VAL A 90 33.110 0.215 -0.104 1.00 0.00 C ATOM 0 H VAL A 90 35.564 -2.727 0.840 1.00 0.00 H new ATOM 0 HA VAL A 90 35.415 -0.750 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 90 33.530 -1.897 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.749 -1.245 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 90 34.339 -2.042 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 90 34.224 -0.274 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 90 32.074 0.096 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 90 33.525 1.116 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 90 33.150 0.300 -1.190 1.00 0.00 H new ATOM 1310 N ASP A 91 35.955 1.498 -0.214 1.00 0.00 N ATOM 1311 CA ASP A 91 36.585 2.748 0.180 1.00 0.00 C ATOM 1312 C ASP A 91 35.872 3.292 1.418 1.00 0.00 C ATOM 1313 O ASP A 91 34.661 3.130 1.563 1.00 0.00 O ATOM 1314 CB ASP A 91 36.465 3.740 -0.984 1.00 0.00 C ATOM 1315 CG ASP A 91 37.331 4.982 -0.780 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.190 5.915 -1.602 1.00 0.00 O ATOM 1317 OD2 ASP A 91 38.123 4.986 0.189 1.00 0.00 O ATOM 0 H ASP A 91 35.430 1.559 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 91 37.638 2.594 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.756 3.246 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.423 4.041 -1.096 1.00 0.00 H new ATOM 1322 N SER A 92 36.622 3.940 2.314 1.00 0.00 N ATOM 1323 CA SER A 92 36.061 4.488 3.545 1.00 0.00 C ATOM 1324 C SER A 92 35.058 5.600 3.234 1.00 0.00 C ATOM 1325 O SER A 92 34.300 6.021 4.108 1.00 0.00 O ATOM 1326 CB SER A 92 37.192 5.023 4.426 1.00 0.00 C ATOM 1327 OG SER A 92 37.822 6.119 3.790 1.00 0.00 O ATOM 0 H SER A 92 37.624 4.097 2.206 1.00 0.00 H new ATOM 0 HA SER A 92 35.533 3.696 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.796 5.332 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.920 4.235 4.617 1.00 0.00 H new ATOM 0 HG SER A 92 38.544 6.457 4.360 1.00 0.00 H new ATOM 1333 N ARG A 93 35.053 6.072 1.982 1.00 0.00 N ATOM 1334 CA ARG A 93 34.117 7.079 1.509 1.00 0.00 C ATOM 1335 C ARG A 93 32.687 6.522 1.455 1.00 0.00 C ATOM 1336 O ARG A 93 31.735 7.292 1.336 1.00 0.00 O ATOM 1337 CB ARG A 93 34.588 7.549 0.130 1.00 0.00 C ATOM 1338 CG ARG A 93 33.627 8.565 -0.487 1.00 0.00 C ATOM 1339 CD ARG A 93 34.243 9.136 -1.760 1.00 0.00 C ATOM 1340 NE ARG A 93 33.294 10.004 -2.464 1.00 0.00 N ATOM 1341 CZ ARG A 93 33.260 11.336 -2.365 1.00 0.00 C ATOM 1342 NH1 ARG A 93 34.110 11.987 -1.570 1.00 0.00 N ATOM 1343 NH2 ARG A 93 32.366 12.022 -3.069 1.00 0.00 N ATOM 0 H ARG A 93 35.709 5.757 1.267 1.00 0.00 H new ATOM 0 HA ARG A 93 34.094 7.923 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 93 35.579 7.994 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.682 6.689 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 93 32.673 8.089 -0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.423 9.367 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.141 9.701 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.550 8.321 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 93 32.609 9.558 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.799 11.468 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 93 34.071 13.004 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.712 11.532 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 93 32.333 13.039 -2.999 1.00 0.00 H new ATOM 1357 N PHE A 94 32.534 5.194 1.545 1.00 0.00 N ATOM 1358 CA PHE A 94 31.232 4.559 1.408 1.00 0.00 C ATOM 1359 C PHE A 94 31.000 3.529 2.516 1.00 0.00 C ATOM 1360 O PHE A 94 30.006 2.809 2.480 1.00 0.00 O ATOM 1361 CB PHE A 94 31.141 3.888 0.039 1.00 0.00 C ATOM 1362 CG PHE A 94 31.450 4.812 -1.117 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.555 5.830 -1.468 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.639 4.647 -1.842 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.842 6.677 -2.549 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.930 5.495 -2.919 1.00 0.00 C ATOM 1367 CZ PHE A 94 32.031 6.509 -3.275 1.00 0.00 C ATOM 0 H PHE A 94 33.302 4.544 1.713 1.00 0.00 H new ATOM 0 HA PHE A 94 30.459 5.323 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.831 3.045 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 94 30.137 3.483 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.643 5.963 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 94 33.332 3.865 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 94 30.148 7.458 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.847 5.367 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 94 32.253 7.161 -4.107 1.00 0.00 H new ATOM 1377 N ARG A 95 31.901 3.448 3.501 1.00 0.00 N ATOM 1378 CA ARG A 95 31.742 2.506 4.607 1.00 0.00 C ATOM 1379 C ARG A 95 30.603 2.919 5.542 1.00 0.00 C ATOM 1380 O ARG A 95 30.218 2.153 6.422 1.00 0.00 O ATOM 1381 CB ARG A 95 33.062 2.359 5.364 1.00 0.00 C ATOM 1382 CG ARG A 95 34.012 1.486 4.551 1.00 0.00 C ATOM 1383 CD ARG A 95 35.331 1.284 5.294 1.00 0.00 C ATOM 1384 NE ARG A 95 36.295 0.571 4.447 1.00 0.00 N ATOM 1385 CZ ARG A 95 37.156 -0.349 4.887 1.00 0.00 C ATOM 1386 NH1 ARG A 95 37.209 -0.671 6.177 1.00 0.00 N ATOM 1387 NH2 ARG A 95 37.972 -0.949 4.027 1.00 0.00 N ATOM 0 H ARG A 95 32.743 4.022 3.552 1.00 0.00 H new ATOM 0 HA ARG A 95 31.471 1.535 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.507 3.339 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.886 1.912 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.548 0.519 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 95 34.202 1.950 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 95 35.741 2.250 5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 95 35.156 0.720 6.210 1.00 0.00 H new ATOM 0 HE ARG A 95 36.308 0.794 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 95 36.587 -0.213 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 95 37.872 -1.376 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 95 37.938 -0.706 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 95 38.632 -1.653 4.357 1.00 0.00 H new ATOM 1401 N ASP A 96 30.064 4.127 5.351 1.00 0.00 N ATOM 1402 CA ASP A 96 28.895 4.595 6.081 1.00 0.00 C ATOM 1403 C ASP A 96 27.598 4.237 5.356 1.00 0.00 C ATOM 1404 O ASP A 96 26.520 4.312 5.943 1.00 0.00 O ATOM 1405 CB ASP A 96 28.998 6.102 6.344 1.00 0.00 C ATOM 1406 CG ASP A 96 29.324 6.907 5.083 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.578 8.122 5.238 1.00 0.00 O ATOM 1408 OD2 ASP A 96 29.315 6.305 3.986 1.00 0.00 O ATOM 0 H ASP A 96 30.431 4.805 4.683 1.00 0.00 H new ATOM 0 HA ASP A 96 28.869 4.084 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.056 6.458 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 96 29.768 6.283 7.094 1.00 0.00 H new ATOM 1413 N ARG A 97 27.704 3.845 4.082 1.00 0.00 N ATOM 1414 CA ARG A 97 26.564 3.392 3.299 1.00 0.00 C ATOM 1415 C ARG A 97 26.277 1.925 3.624 1.00 0.00 C ATOM 1416 O ARG A 97 27.174 1.212 4.076 1.00 0.00 O ATOM 1417 CB ARG A 97 26.875 3.552 1.801 1.00 0.00 C ATOM 1418 CG ARG A 97 27.276 4.981 1.433 1.00 0.00 C ATOM 1419 CD ARG A 97 26.239 5.985 1.939 1.00 0.00 C ATOM 1420 NE ARG A 97 26.306 7.252 1.198 1.00 0.00 N ATOM 1421 CZ ARG A 97 27.340 8.104 1.223 1.00 0.00 C ATOM 1422 NH1 ARG A 97 28.414 7.859 1.968 1.00 0.00 N ATOM 1423 NH2 ARG A 97 27.300 9.215 0.490 1.00 0.00 N ATOM 0 H ARG A 97 28.586 3.835 3.570 1.00 0.00 H new ATOM 0 HA ARG A 97 25.686 3.990 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.680 2.870 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 97 26.000 3.263 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 97 28.251 5.212 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.375 5.068 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.241 5.558 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 97 26.402 6.174 3.000 1.00 0.00 H new ATOM 0 HE ARG A 97 25.504 7.502 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 97 28.460 7.011 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 97 29.192 8.519 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 97 26.484 9.415 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 97 28.085 9.866 0.507 1.00 0.00 H new ATOM 1437 N PRO A 98 25.044 1.456 3.399 1.00 0.00 N ATOM 1438 CA PRO A 98 24.688 0.065 3.589 1.00 0.00 C ATOM 1439 C PRO A 98 25.392 -0.788 2.540 1.00 0.00 C ATOM 1440 O PRO A 98 25.715 -0.305 1.454 1.00 0.00 O ATOM 1441 CB PRO A 98 23.171 -0.001 3.427 1.00 0.00 C ATOM 1442 CG PRO A 98 22.836 1.219 2.567 1.00 0.00 C ATOM 1443 CD PRO A 98 23.915 2.234 2.936 1.00 0.00 C ATOM 0 HA PRO A 98 24.990 -0.313 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.861 -0.927 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.665 0.040 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.861 0.978 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.838 1.600 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 98 24.188 2.846 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.564 2.914 3.712 1.00 0.00 H new ATOM 1451 N VAL A 99 25.628 -2.059 2.861 1.00 0.00 N ATOM 1452 CA VAL A 99 26.338 -2.946 1.957 1.00 0.00 C ATOM 1453 C VAL A 99 25.873 -4.381 2.150 1.00 0.00 C ATOM 1454 O VAL A 99 25.872 -4.910 3.260 1.00 0.00 O ATOM 1455 CB VAL A 99 27.853 -2.811 2.183 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.235 -3.005 3.656 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.621 -3.837 1.352 1.00 0.00 C ATOM 0 H VAL A 99 25.337 -2.491 3.738 1.00 0.00 H new ATOM 0 HA VAL A 99 26.119 -2.665 0.927 1.00 0.00 H new ATOM 0 HB VAL A 99 28.119 -1.800 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.314 -2.901 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.733 -2.253 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.930 -3.999 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.690 -3.722 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.312 -4.842 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.409 -3.680 0.294 1.00 0.00 H new ATOM 1467 N LEU A 100 25.476 -5.008 1.044 1.00 0.00 N ATOM 1468 CA LEU A 100 25.217 -6.434 0.992 1.00 0.00 C ATOM 1469 C LEU A 100 26.531 -7.168 0.715 1.00 0.00 C ATOM 1470 O LEU A 100 27.453 -6.597 0.140 1.00 0.00 O ATOM 1471 CB LEU A 100 24.166 -6.738 -0.081 1.00 0.00 C ATOM 1472 CG LEU A 100 22.818 -6.082 0.249 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.847 -6.332 -0.903 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.217 -6.687 1.518 1.00 0.00 C ATOM 0 H LEU A 100 25.326 -4.531 0.155 1.00 0.00 H new ATOM 0 HA LEU A 100 24.820 -6.779 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.518 -6.380 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.035 -7.817 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 100 22.981 -5.015 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.887 -5.869 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.251 -5.901 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.710 -7.405 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.262 -6.207 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.061 -7.756 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.898 -6.530 2.354 1.00 0.00 H new ATOM 1486 N GLN A 101 26.626 -8.434 1.123 1.00 0.00 N ATOM 1487 CA GLN A 101 27.869 -9.184 1.015 1.00 0.00 C ATOM 1488 C GLN A 101 27.578 -10.620 0.573 1.00 0.00 C ATOM 1489 O GLN A 101 26.988 -10.834 -0.484 1.00 0.00 O ATOM 1490 CB GLN A 101 28.604 -9.093 2.361 1.00 0.00 C ATOM 1491 CG GLN A 101 30.076 -9.489 2.220 1.00 0.00 C ATOM 1492 CD GLN A 101 30.870 -9.096 3.463 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.301 -8.830 4.519 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.192 -9.059 3.345 1.00 0.00 N ATOM 0 H GLN A 101 25.853 -8.959 1.532 1.00 0.00 H new ATOM 0 HA GLN A 101 28.523 -8.764 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.534 -8.076 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.118 -9.744 3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.153 -10.564 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.504 -9.005 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.631 -9.286 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.769 -8.804 4.147 1.00 0.00 H new ATOM 1503 N LYS A 102 27.990 -11.603 1.381 1.00 0.00 N ATOM 1504 CA LYS A 102 27.670 -13.008 1.168 1.00 0.00 C ATOM 1505 C LYS A 102 26.150 -13.199 1.046 1.00 0.00 C ATOM 1506 O LYS A 102 25.395 -12.288 1.387 1.00 0.00 O ATOM 1507 CB LYS A 102 28.288 -13.851 2.304 1.00 0.00 C ATOM 1508 CG LYS A 102 28.082 -13.255 3.705 1.00 0.00 C ATOM 1509 CD LYS A 102 26.614 -13.233 4.145 1.00 0.00 C ATOM 1510 CE LYS A 102 26.489 -12.789 5.606 1.00 0.00 C ATOM 1511 NZ LYS A 102 27.181 -13.720 6.519 1.00 0.00 N ATOM 0 H LYS A 102 28.562 -11.437 2.209 1.00 0.00 H new ATOM 0 HA LYS A 102 28.102 -13.352 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.855 -14.851 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.357 -13.962 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.662 -13.831 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.474 -12.238 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.048 -12.556 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.179 -14.225 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.907 -11.789 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.436 -12.727 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.822 -13.589 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.006 -14.699 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.203 -13.529 6.500 1.00 0.00 H new ATOM 1525 N PRO A 103 25.686 -14.360 0.561 1.00 0.00 N ATOM 1526 CA PRO A 103 24.271 -14.635 0.382 1.00 0.00 C ATOM 1527 C PRO A 103 23.463 -14.247 1.617 1.00 0.00 C ATOM 1528 O PRO A 103 23.918 -14.414 2.748 1.00 0.00 O ATOM 1529 CB PRO A 103 24.179 -16.127 0.067 1.00 0.00 C ATOM 1530 CG PRO A 103 25.533 -16.434 -0.576 1.00 0.00 C ATOM 1531 CD PRO A 103 26.494 -15.486 0.138 1.00 0.00 C ATOM 0 HA PRO A 103 23.843 -14.042 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.018 -16.719 0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.353 -16.345 -0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.818 -17.476 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.516 -16.253 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.964 -15.974 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.296 -15.166 -0.527 1.00 0.00 H new ATOM 1539 N PHE A 104 22.260 -13.722 1.382 1.00 0.00 N ATOM 1540 CA PHE A 104 21.445 -13.097 2.412 1.00 0.00 C ATOM 1541 C PHE A 104 20.004 -13.586 2.458 1.00 0.00 C ATOM 1542 O PHE A 104 19.466 -14.049 1.451 1.00 0.00 O ATOM 1543 CB PHE A 104 21.548 -11.573 2.301 1.00 0.00 C ATOM 1544 CG PHE A 104 21.759 -11.103 0.879 1.00 0.00 C ATOM 1545 CD1 PHE A 104 23.006 -10.585 0.490 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.723 -11.201 -0.056 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.216 -10.191 -0.839 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.933 -10.809 -1.386 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.182 -10.308 -1.778 1.00 0.00 C ATOM 0 H PHE A 104 21.824 -13.721 0.460 1.00 0.00 H new ATOM 0 HA PHE A 104 21.853 -13.410 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.638 -11.122 2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.373 -11.223 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.802 -10.490 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.758 -11.580 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.176 -9.797 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.133 -10.893 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.348 -10.012 -2.803 1.00 0.00 H new ATOM 1559 N THR A 105 19.375 -13.483 3.629 1.00 0.00 N ATOM 1560 CA THR A 105 17.979 -13.854 3.822 1.00 0.00 C ATOM 1561 C THR A 105 17.014 -12.743 3.412 1.00 0.00 C ATOM 1562 O THR A 105 17.440 -11.651 3.039 1.00 0.00 O ATOM 1563 CB THR A 105 17.722 -14.314 5.261 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.481 -13.187 6.075 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.907 -15.100 5.827 1.00 0.00 C ATOM 0 H THR A 105 19.827 -13.136 4.475 1.00 0.00 H new ATOM 0 HA THR A 105 17.783 -14.696 3.158 1.00 0.00 H new ATOM 0 HB THR A 105 16.854 -14.973 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.315 -13.478 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.685 -15.408 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.085 -15.983 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.797 -14.470 5.823 1.00 0.00 H new ATOM 1573 N MET A 106 15.709 -13.023 3.487 1.00 0.00 N ATOM 1574 CA MET A 106 14.689 -12.038 3.171 1.00 0.00 C ATOM 1575 C MET A 106 14.803 -10.845 4.124 1.00 0.00 C ATOM 1576 O MET A 106 14.461 -9.722 3.760 1.00 0.00 O ATOM 1577 CB MET A 106 13.315 -12.701 3.290 1.00 0.00 C ATOM 1578 CG MET A 106 12.161 -11.739 2.992 1.00 0.00 C ATOM 1579 SD MET A 106 11.869 -11.379 1.241 1.00 0.00 S ATOM 1580 CE MET A 106 13.036 -10.022 0.979 1.00 0.00 C ATOM 0 H MET A 106 15.340 -13.932 3.766 1.00 0.00 H new ATOM 0 HA MET A 106 14.823 -11.670 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.264 -13.545 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.197 -13.102 4.297 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.247 -12.155 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.353 -10.799 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.879 -9.593 -0.011 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.878 -9.255 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.056 -10.400 1.053 1.00 0.00 H new ATOM 1590 N ASP A 107 15.286 -11.093 5.345 1.00 0.00 N ATOM 1591 CA ASP A 107 15.474 -10.043 6.332 1.00 0.00 C ATOM 1592 C ASP A 107 16.794 -9.303 6.142 1.00 0.00 C ATOM 1593 O ASP A 107 16.936 -8.171 6.595 1.00 0.00 O ATOM 1594 CB ASP A 107 15.383 -10.639 7.739 1.00 0.00 C ATOM 1595 CG ASP A 107 13.984 -11.159 8.075 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.067 -10.966 7.246 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.848 -11.751 9.168 1.00 0.00 O ATOM 0 H ASP A 107 15.554 -12.022 5.669 1.00 0.00 H new ATOM 0 HA ASP A 107 14.680 -9.308 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.100 -11.455 7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.669 -9.881 8.469 1.00 0.00 H new ATOM 1602 N GLY A 108 17.760 -9.941 5.475 1.00 0.00 N ATOM 1603 CA GLY A 108 19.077 -9.355 5.268 1.00 0.00 C ATOM 1604 C GLY A 108 19.023 -8.232 4.238 1.00 0.00 C ATOM 1605 O GLY A 108 19.709 -7.222 4.388 1.00 0.00 O ATOM 0 H GLY A 108 17.648 -10.870 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.459 -8.968 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.773 -10.125 4.935 1.00 0.00 H new ATOM 1609 N VAL A 109 18.208 -8.397 3.193 1.00 0.00 N ATOM 1610 CA VAL A 109 18.032 -7.352 2.195 1.00 0.00 C ATOM 1611 C VAL A 109 17.087 -6.277 2.711 1.00 0.00 C ATOM 1612 O VAL A 109 17.204 -5.115 2.329 1.00 0.00 O ATOM 1613 CB VAL A 109 17.531 -7.948 0.874 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.427 -9.109 0.448 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.094 -8.447 1.008 1.00 0.00 C ATOM 0 H VAL A 109 17.664 -9.242 3.021 1.00 0.00 H new ATOM 0 HA VAL A 109 18.998 -6.885 2.004 1.00 0.00 H new ATOM 0 HB VAL A 109 17.562 -7.162 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 109 18.062 -9.525 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.448 -8.751 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.412 -9.881 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.764 -8.865 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.046 -9.217 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.445 -7.616 1.285 1.00 0.00 H new ATOM 1625 N ALA A 110 16.146 -6.652 3.585 1.00 0.00 N ATOM 1626 CA ALA A 110 15.242 -5.689 4.190 1.00 0.00 C ATOM 1627 C ALA A 110 16.011 -4.807 5.172 1.00 0.00 C ATOM 1628 O ALA A 110 15.621 -3.667 5.412 1.00 0.00 O ATOM 1629 CB ALA A 110 14.117 -6.442 4.901 1.00 0.00 C ATOM 0 H ALA A 110 15.997 -7.616 3.884 1.00 0.00 H new ATOM 0 HA ALA A 110 14.809 -5.047 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.433 -5.727 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.575 -7.052 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.540 -7.084 5.673 1.00 0.00 H new ATOM 1635 N LYS A 111 17.101 -5.340 5.735 1.00 0.00 N ATOM 1636 CA LYS A 111 17.945 -4.603 6.659 1.00 0.00 C ATOM 1637 C LYS A 111 18.702 -3.499 5.928 1.00 0.00 C ATOM 1638 O LYS A 111 18.849 -2.397 6.453 1.00 0.00 O ATOM 1639 CB LYS A 111 18.928 -5.587 7.295 1.00 0.00 C ATOM 1640 CG LYS A 111 19.784 -4.920 8.366 1.00 0.00 C ATOM 1641 CD LYS A 111 20.752 -5.961 8.924 1.00 0.00 C ATOM 1642 CE LYS A 111 21.478 -5.388 10.142 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.412 -6.374 10.716 1.00 0.00 N ATOM 0 H LYS A 111 17.416 -6.294 5.558 1.00 0.00 H new ATOM 0 HA LYS A 111 17.332 -4.134 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.377 -6.418 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.573 -6.006 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.333 -4.079 7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.154 -4.522 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.209 -6.864 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.474 -6.247 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 111 22.024 -4.490 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.750 -5.090 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.891 -5.959 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.885 -7.221 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 23.120 -6.639 10.001 1.00 0.00 H new ATOM 1657 N ALA A 112 19.182 -3.791 4.714 1.00 0.00 N ATOM 1658 CA ALA A 112 19.919 -2.819 3.925 1.00 0.00 C ATOM 1659 C ALA A 112 18.982 -1.759 3.348 1.00 0.00 C ATOM 1660 O ALA A 112 19.314 -0.575 3.338 1.00 0.00 O ATOM 1661 CB ALA A 112 20.657 -3.549 2.806 1.00 0.00 C ATOM 0 H ALA A 112 19.068 -4.698 4.262 1.00 0.00 H new ATOM 0 HA ALA A 112 20.638 -2.307 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.214 -2.829 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.348 -4.273 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.937 -4.067 2.173 1.00 0.00 H new ATOM 1667 N LEU A 113 17.808 -2.178 2.869 1.00 0.00 N ATOM 1668 CA LEU A 113 16.850 -1.253 2.277 1.00 0.00 C ATOM 1669 C LEU A 113 16.235 -0.356 3.349 1.00 0.00 C ATOM 1670 O LEU A 113 15.752 0.730 3.038 1.00 0.00 O ATOM 1671 CB LEU A 113 15.765 -2.046 1.538 1.00 0.00 C ATOM 1672 CG LEU A 113 16.330 -2.773 0.310 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.257 -3.692 -0.267 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.752 -1.778 -0.771 1.00 0.00 C ATOM 0 H LEU A 113 17.502 -3.151 2.881 1.00 0.00 H new ATOM 0 HA LEU A 113 17.366 -0.610 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.319 -2.772 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.969 -1.370 1.226 1.00 0.00 H new ATOM 0 HG LEU A 113 17.203 -3.346 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.653 -4.211 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.960 -4.422 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.390 -3.100 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.149 -2.320 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.889 -1.189 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.520 -1.114 -0.375 1.00 0.00 H new ATOM 1686 N ALA A 114 16.244 -0.800 4.609 1.00 0.00 N ATOM 1687 CA ALA A 114 15.790 0.030 5.716 1.00 0.00 C ATOM 1688 C ALA A 114 16.902 0.988 6.143 1.00 0.00 C ATOM 1689 O ALA A 114 16.627 2.090 6.611 1.00 0.00 O ATOM 1690 CB ALA A 114 15.380 -0.870 6.880 1.00 0.00 C ATOM 0 H ALA A 114 16.562 -1.730 4.883 1.00 0.00 H new ATOM 0 HA ALA A 114 14.931 0.623 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.039 -0.255 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.573 -1.531 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.235 -1.467 7.197 1.00 0.00 H new ATOM 1696 N ALA A 115 18.162 0.573 5.981 1.00 0.00 N ATOM 1697 CA ALA A 115 19.308 1.400 6.318 1.00 0.00 C ATOM 1698 C ALA A 115 19.416 2.591 5.364 1.00 0.00 C ATOM 1699 O ALA A 115 20.143 3.544 5.645 1.00 0.00 O ATOM 1700 CB ALA A 115 20.575 0.546 6.277 1.00 0.00 C ATOM 0 H ALA A 115 18.408 -0.346 5.613 1.00 0.00 H new ATOM 0 HA ALA A 115 19.182 1.799 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.438 1.163 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.488 -0.268 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.704 0.134 5.276 1.00 0.00 H new ATOM 1706 N LEU A 116 18.696 2.544 4.234 1.00 0.00 N ATOM 1707 CA LEU A 116 18.600 3.683 3.331 1.00 0.00 C ATOM 1708 C LEU A 116 17.804 4.825 3.979 1.00 0.00 C ATOM 1709 O LEU A 116 17.702 5.907 3.402 1.00 0.00 O ATOM 1710 CB LEU A 116 17.933 3.256 2.017 1.00 0.00 C ATOM 1711 CG LEU A 116 18.763 2.209 1.268 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.968 1.713 0.064 1.00 0.00 C ATOM 1713 CD2 LEU A 116 20.080 2.807 0.779 1.00 0.00 C ATOM 0 H LEU A 116 18.173 1.723 3.929 1.00 0.00 H new ATOM 0 HA LEU A 116 19.607 4.042 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.943 2.851 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.792 4.130 1.381 1.00 0.00 H new ATOM 0 HG LEU A 116 18.983 1.386 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.552 0.967 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.034 1.266 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.750 2.551 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.652 2.044 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.874 3.639 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.656 3.166 1.632 1.00 0.00 H new