USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0625) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 3 SER OG : rot -114:sc= 0.0886 USER MOD Set 2.2: A 5 SER OG : rot 27:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.114 F(o=-1.2,f=-0.11) USER MOD Single : A 23 MET CE :methyl -137:sc= -6.12! (180deg=-13.4!) USER MOD Single : A 25 HIS : no HD1:sc= -3.89 K(o=-3.9,f=-8.2!) USER MOD Single : A 27 MET CE :methyl 155:sc= -4.23! (180deg=-5.88!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0109 F(o=-0.9,f=-0.011) USER MOD Single : A 47 CYS SG : rot 92:sc= -6.32! USER MOD Single : A 48 SER OG : rot 19:sc= 0.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -3.93! F(o=-4.4,f=-3.9!) USER MOD Single : A 68 SER OG : rot -110:sc= 0.41 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -75:sc= -2.88 USER MOD Single : A 82 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 83 THR OG1 : rot 115:sc= 0.704 USER MOD Single : A 93 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 97 GLN :FLIP amide:sc= -5.35! C(o=-11!,f=-5.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -169:sc= -0.576! USER MOD Single : A 106 GLN : amide:sc= -1.66 X(o=-1.7,f=-2.1) USER MOD Single : A 107 SER OG : rot 150:sc= -0.694 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.408 36.915 -21.346 1.00 0.00 N ATOM 2 CA GLY A 1 18.413 36.658 -19.918 1.00 0.00 C ATOM 3 C GLY A 1 19.236 35.439 -19.551 1.00 0.00 C ATOM 4 O GLY A 1 18.861 34.310 -19.869 1.00 0.00 O ATOM 0 H1 GLY A 1 17.832 37.758 -21.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.382 37.076 -21.673 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.006 36.096 -21.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.808 37.530 -19.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.388 36.518 -19.574 1.00 0.00 H new ATOM 8 N SER A 2 20.361 35.666 -18.881 1.00 0.00 N ATOM 9 CA SER A 2 21.242 34.578 -18.475 1.00 0.00 C ATOM 10 C SER A 2 20.531 33.635 -17.508 1.00 0.00 C ATOM 11 O SER A 2 19.605 34.035 -16.803 1.00 0.00 O ATOM 12 CB SER A 2 22.509 35.135 -17.824 1.00 0.00 C ATOM 13 OG SER A 2 23.531 34.154 -17.776 1.00 0.00 O ATOM 0 H SER A 2 20.684 36.594 -18.608 1.00 0.00 H new ATOM 0 HA SER A 2 21.518 34.015 -19.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.859 36.002 -18.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.282 35.478 -16.815 1.00 0.00 H new ATOM 0 HG SER A 2 24.331 34.535 -17.357 1.00 0.00 H new ATOM 19 N SER A 3 20.972 32.382 -17.482 1.00 0.00 N ATOM 20 CA SER A 3 20.377 31.380 -16.605 1.00 0.00 C ATOM 21 C SER A 3 21.304 31.062 -15.436 1.00 0.00 C ATOM 22 O SER A 3 20.911 31.158 -14.274 1.00 0.00 O ATOM 23 CB SER A 3 20.070 30.103 -17.389 1.00 0.00 C ATOM 24 OG SER A 3 19.482 29.121 -16.554 1.00 0.00 O ATOM 0 H SER A 3 21.739 32.036 -18.058 1.00 0.00 H new ATOM 0 HA SER A 3 19.447 31.787 -16.208 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.397 30.333 -18.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.989 29.711 -17.826 1.00 0.00 H new ATOM 0 HG SER A 3 20.094 28.362 -16.461 1.00 0.00 H new ATOM 30 N GLY A 4 22.538 30.683 -15.753 1.00 0.00 N ATOM 31 CA GLY A 4 23.503 30.356 -14.719 1.00 0.00 C ATOM 32 C GLY A 4 23.382 28.921 -14.247 1.00 0.00 C ATOM 33 O GLY A 4 23.431 28.649 -13.047 1.00 0.00 O ATOM 0 H GLY A 4 22.887 30.596 -16.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.510 30.527 -15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.364 31.027 -13.871 1.00 0.00 H new ATOM 37 N SER A 5 23.223 28.000 -15.192 1.00 0.00 N ATOM 38 CA SER A 5 23.090 26.585 -14.865 1.00 0.00 C ATOM 39 C SER A 5 23.557 25.713 -16.026 1.00 0.00 C ATOM 40 O SER A 5 22.911 25.653 -17.072 1.00 0.00 O ATOM 41 CB SER A 5 21.637 26.255 -14.518 1.00 0.00 C ATOM 42 OG SER A 5 20.796 26.399 -15.649 1.00 0.00 O ATOM 0 H SER A 5 23.183 28.208 -16.190 1.00 0.00 H new ATOM 0 HA SER A 5 23.720 26.377 -14.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.573 25.234 -14.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.293 26.912 -13.719 1.00 0.00 H new ATOM 0 HG SER A 5 21.319 26.258 -16.466 1.00 0.00 H new ATOM 48 N SER A 6 24.686 25.038 -15.834 1.00 0.00 N ATOM 49 CA SER A 6 25.244 24.172 -16.865 1.00 0.00 C ATOM 50 C SER A 6 24.529 22.824 -16.888 1.00 0.00 C ATOM 51 O SER A 6 24.985 21.856 -16.280 1.00 0.00 O ATOM 52 CB SER A 6 26.742 23.963 -16.631 1.00 0.00 C ATOM 53 OG SER A 6 27.376 23.468 -17.797 1.00 0.00 O ATOM 0 H SER A 6 25.232 25.075 -14.973 1.00 0.00 H new ATOM 0 HA SER A 6 25.099 24.658 -17.830 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.202 24.906 -16.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.891 23.264 -15.808 1.00 0.00 H new ATOM 0 HG SER A 6 28.332 23.344 -17.622 1.00 0.00 H new ATOM 59 N GLY A 7 23.404 22.770 -17.595 1.00 0.00 N ATOM 60 CA GLY A 7 22.643 21.537 -17.685 1.00 0.00 C ATOM 61 C GLY A 7 22.201 21.029 -16.328 1.00 0.00 C ATOM 62 O GLY A 7 21.720 21.797 -15.495 1.00 0.00 O ATOM 0 H GLY A 7 23.006 23.558 -18.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.766 21.700 -18.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.249 20.775 -18.175 1.00 0.00 H new ATOM 66 N GLY A 8 22.362 19.728 -16.103 1.00 0.00 N ATOM 67 CA GLY A 8 21.969 19.140 -14.836 1.00 0.00 C ATOM 68 C GLY A 8 22.838 17.960 -14.450 1.00 0.00 C ATOM 69 O GLY A 8 22.387 16.815 -14.410 1.00 0.00 O ATOM 0 H GLY A 8 22.758 19.071 -16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.023 19.898 -14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 8 20.929 18.818 -14.896 1.00 0.00 H new ATOM 73 N PRO A 9 24.119 18.234 -14.159 1.00 0.00 N ATOM 74 CA PRO A 9 25.081 17.198 -13.771 1.00 0.00 C ATOM 75 C PRO A 9 24.788 16.623 -12.389 1.00 0.00 C ATOM 76 O PRO A 9 25.197 15.507 -12.071 1.00 0.00 O ATOM 77 CB PRO A 9 26.419 17.941 -13.767 1.00 0.00 C ATOM 78 CG PRO A 9 26.061 19.367 -13.527 1.00 0.00 C ATOM 79 CD PRO A 9 24.726 19.575 -14.186 1.00 0.00 C ATOM 0 HA PRO A 9 25.054 16.343 -14.447 1.00 0.00 H new ATOM 0 HB2 PRO A 9 27.080 17.562 -12.987 1.00 0.00 H new ATOM 0 HB3 PRO A 9 26.942 17.819 -14.715 1.00 0.00 H new ATOM 0 HG2 PRO A 9 26.007 19.582 -12.460 1.00 0.00 H new ATOM 0 HG3 PRO A 9 26.813 20.034 -13.949 1.00 0.00 H new ATOM 0 HD2 PRO A 9 24.120 20.301 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 9 24.835 19.946 -15.205 1.00 0.00 H new ATOM 87 N SER A 10 24.076 17.393 -11.572 1.00 0.00 N ATOM 88 CA SER A 10 23.731 16.960 -10.223 1.00 0.00 C ATOM 89 C SER A 10 22.587 15.951 -10.251 1.00 0.00 C ATOM 90 O SER A 10 21.491 16.252 -10.726 1.00 0.00 O ATOM 91 CB SER A 10 23.342 18.165 -9.362 1.00 0.00 C ATOM 92 OG SER A 10 24.475 18.957 -9.052 1.00 0.00 O ATOM 0 H SER A 10 23.727 18.319 -11.820 1.00 0.00 H new ATOM 0 HA SER A 10 24.606 16.478 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.605 18.770 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 10 22.872 17.821 -8.441 1.00 0.00 H new ATOM 0 HG SER A 10 24.200 19.721 -8.503 1.00 0.00 H new ATOM 98 N ARG A 11 22.850 14.753 -9.740 1.00 0.00 N ATOM 99 CA ARG A 11 21.844 13.699 -9.708 1.00 0.00 C ATOM 100 C ARG A 11 20.507 14.238 -9.208 1.00 0.00 C ATOM 101 O ARG A 11 20.437 15.334 -8.653 1.00 0.00 O ATOM 102 CB ARG A 11 22.309 12.548 -8.813 1.00 0.00 C ATOM 103 CG ARG A 11 23.466 11.753 -9.395 1.00 0.00 C ATOM 104 CD ARG A 11 23.971 10.706 -8.415 1.00 0.00 C ATOM 105 NE ARG A 11 25.062 9.912 -8.975 1.00 0.00 N ATOM 106 CZ ARG A 11 25.636 8.898 -8.338 1.00 0.00 C ATOM 107 NH1 ARG A 11 25.225 8.556 -7.125 1.00 0.00 N ATOM 108 NH2 ARG A 11 26.623 8.224 -8.914 1.00 0.00 N ATOM 0 H ARG A 11 23.751 14.488 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 11 21.709 13.329 -10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.606 12.950 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.470 11.875 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.147 11.266 -10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.279 12.430 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.311 11.197 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.150 10.046 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 11 25.402 10.150 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 11 24.466 9.072 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.667 7.777 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.942 8.484 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.063 7.445 -8.424 1.00 0.00 H new ATOM 122 N MET A 12 19.449 13.459 -9.408 1.00 0.00 N ATOM 123 CA MET A 12 18.114 13.858 -8.977 1.00 0.00 C ATOM 124 C MET A 12 18.090 14.146 -7.479 1.00 0.00 C ATOM 125 O MET A 12 17.674 13.303 -6.683 1.00 0.00 O ATOM 126 CB MET A 12 17.097 12.766 -9.316 1.00 0.00 C ATOM 127 CG MET A 12 17.428 11.417 -8.699 1.00 0.00 C ATOM 128 SD MET A 12 16.610 10.049 -9.543 1.00 0.00 S ATOM 129 CE MET A 12 14.928 10.250 -8.962 1.00 0.00 C ATOM 0 H MET A 12 19.490 12.548 -9.866 1.00 0.00 H new ATOM 0 HA MET A 12 17.845 14.771 -9.509 1.00 0.00 H new ATOM 0 HB2 MET A 12 16.111 13.081 -8.975 1.00 0.00 H new ATOM 0 HB3 MET A 12 17.040 12.657 -10.399 1.00 0.00 H new ATOM 0 HG2 MET A 12 18.507 11.264 -8.727 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.134 11.420 -7.649 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.297 9.475 -9.398 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.906 10.167 -7.875 1.00 0.00 H new ATOM 0 HE3 MET A 12 14.555 11.230 -9.259 1.00 0.00 H new ATOM 139 N ARG A 13 18.538 15.339 -7.103 1.00 0.00 N ATOM 140 CA ARG A 13 18.568 15.735 -5.700 1.00 0.00 C ATOM 141 C ARG A 13 17.231 16.334 -5.275 1.00 0.00 C ATOM 142 O ARG A 13 17.021 17.544 -5.372 1.00 0.00 O ATOM 143 CB ARG A 13 19.691 16.746 -5.458 1.00 0.00 C ATOM 144 CG ARG A 13 21.033 16.102 -5.147 1.00 0.00 C ATOM 145 CD ARG A 13 21.928 17.038 -4.349 1.00 0.00 C ATOM 146 NE ARG A 13 21.725 16.894 -2.910 1.00 0.00 N ATOM 147 CZ ARG A 13 22.094 15.820 -2.220 1.00 0.00 C ATOM 148 NH1 ARG A 13 22.682 14.803 -2.834 1.00 0.00 N ATOM 149 NH2 ARG A 13 21.875 15.764 -0.912 1.00 0.00 N ATOM 0 H ARG A 13 18.885 16.048 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 13 18.754 14.844 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.796 17.378 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.410 17.398 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.875 15.181 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 13 21.530 15.827 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 13 22.971 16.835 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.728 18.069 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 13 21.276 17.659 -2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.852 14.843 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.964 13.980 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.423 16.545 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.158 14.940 -0.382 1.00 0.00 H new ATOM 163 N HIS A 14 16.328 15.479 -4.805 1.00 0.00 N ATOM 164 CA HIS A 14 15.011 15.924 -4.365 1.00 0.00 C ATOM 165 C HIS A 14 14.222 14.768 -3.757 1.00 0.00 C ATOM 166 O HIS A 14 14.505 13.601 -4.029 1.00 0.00 O ATOM 167 CB HIS A 14 14.234 16.525 -5.537 1.00 0.00 C ATOM 168 CG HIS A 14 14.093 15.595 -6.702 1.00 0.00 C ATOM 169 ND1 HIS A 14 13.277 14.533 -6.893 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 14.851 15.705 -7.849 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 13.553 14.026 -8.139 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 14.506 14.752 -8.696 1.00 0.00 N flip ATOM 0 H HIS A 14 16.484 14.475 -4.719 1.00 0.00 H new ATOM 0 HA HIS A 14 15.150 16.688 -3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.242 16.816 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.736 17.434 -5.867 1.00 0.00 H new ATOM 0 HD1 HIS A 14 12.585 14.175 -6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.609 16.454 -8.027 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.069 13.172 -8.590 1.00 0.00 H new ATOM 180 N GLU A 15 13.234 15.100 -2.933 1.00 0.00 N ATOM 181 CA GLU A 15 12.406 14.089 -2.285 1.00 0.00 C ATOM 182 C GLU A 15 11.377 13.524 -3.259 1.00 0.00 C ATOM 183 O GLU A 15 10.686 14.271 -3.952 1.00 0.00 O ATOM 184 CB GLU A 15 11.698 14.682 -1.065 1.00 0.00 C ATOM 185 CG GLU A 15 12.651 15.194 0.002 1.00 0.00 C ATOM 186 CD GLU A 15 13.306 16.507 -0.382 1.00 0.00 C ATOM 187 OE1 GLU A 15 12.578 17.508 -0.546 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.547 16.532 -0.518 1.00 0.00 O ATOM 0 H GLU A 15 12.987 16.061 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 15 13.057 13.278 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.056 15.501 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.049 13.923 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.107 15.324 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.423 14.446 0.183 1.00 0.00 H new ATOM 195 N ARG A 16 11.281 12.199 -3.307 1.00 0.00 N ATOM 196 CA ARG A 16 10.338 11.533 -4.197 1.00 0.00 C ATOM 197 C ARG A 16 9.576 10.436 -3.459 1.00 0.00 C ATOM 198 O ARG A 16 9.319 9.365 -4.010 1.00 0.00 O ATOM 199 CB ARG A 16 11.072 10.937 -5.400 1.00 0.00 C ATOM 200 CG ARG A 16 12.386 10.265 -5.039 1.00 0.00 C ATOM 201 CD ARG A 16 12.186 8.795 -4.703 1.00 0.00 C ATOM 202 NE ARG A 16 13.452 8.115 -4.444 1.00 0.00 N ATOM 203 CZ ARG A 16 13.626 6.806 -4.585 1.00 0.00 C ATOM 204 NH1 ARG A 16 12.619 6.039 -4.982 1.00 0.00 N ATOM 205 NH2 ARG A 16 14.809 6.261 -4.330 1.00 0.00 N ATOM 0 H ARG A 16 11.845 11.566 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 16 9.622 12.276 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.423 10.209 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.265 11.727 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.084 10.357 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.836 10.776 -4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.542 8.708 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.672 8.302 -5.528 1.00 0.00 H new ATOM 0 HE ARG A 16 14.247 8.676 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.709 6.454 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.755 5.034 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.586 6.848 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.941 5.255 -4.439 1.00 0.00 H new ATOM 219 N VAL A 17 9.218 10.709 -2.208 1.00 0.00 N ATOM 220 CA VAL A 17 8.486 9.747 -1.394 1.00 0.00 C ATOM 221 C VAL A 17 7.309 10.409 -0.686 1.00 0.00 C ATOM 222 O VAL A 17 7.355 11.594 -0.357 1.00 0.00 O ATOM 223 CB VAL A 17 9.400 9.090 -0.343 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.695 7.915 0.318 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.710 8.648 -0.978 1.00 0.00 C ATOM 0 H VAL A 17 9.424 11.590 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 17 8.113 8.978 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 17 9.627 9.827 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.356 7.463 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.787 8.265 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.436 7.174 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.344 8.186 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.506 7.927 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.221 9.514 -1.399 1.00 0.00 H new ATOM 235 N VAL A 18 6.254 9.634 -0.454 1.00 0.00 N ATOM 236 CA VAL A 18 5.064 10.145 0.217 1.00 0.00 C ATOM 237 C VAL A 18 4.649 9.234 1.367 1.00 0.00 C ATOM 238 O VAL A 18 4.802 8.014 1.293 1.00 0.00 O ATOM 239 CB VAL A 18 3.884 10.287 -0.763 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.358 10.865 -2.088 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.200 8.944 -0.971 1.00 0.00 C ATOM 0 H VAL A 18 6.199 8.651 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 18 5.320 11.129 0.610 1.00 0.00 H new ATOM 0 HB VAL A 18 3.157 10.976 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.511 10.958 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.798 11.848 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.105 10.204 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.369 9.063 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.916 8.231 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.825 8.575 -0.016 1.00 0.00 H new ATOM 251 N ILE A 19 4.122 9.834 2.429 1.00 0.00 N ATOM 252 CA ILE A 19 3.682 9.076 3.594 1.00 0.00 C ATOM 253 C ILE A 19 2.169 9.153 3.761 1.00 0.00 C ATOM 254 O ILE A 19 1.554 10.181 3.474 1.00 0.00 O ATOM 255 CB ILE A 19 4.356 9.584 4.883 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.864 9.737 4.670 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.073 8.635 6.038 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.506 8.536 4.013 1.00 0.00 C ATOM 0 H ILE A 19 3.989 10.842 2.507 1.00 0.00 H new ATOM 0 HA ILE A 19 3.974 8.040 3.425 1.00 0.00 H new ATOM 0 HB ILE A 19 3.942 10.561 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.048 10.619 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.343 9.913 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.556 9.007 6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.997 8.571 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.463 7.645 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.575 8.715 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.353 7.655 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.054 8.371 3.035 1.00 0.00 H new ATOM 270 N ILE A 20 1.574 8.061 4.229 1.00 0.00 N ATOM 271 CA ILE A 20 0.133 8.006 4.437 1.00 0.00 C ATOM 272 C ILE A 20 -0.201 7.591 5.866 1.00 0.00 C ATOM 273 O ILE A 20 0.550 6.850 6.501 1.00 0.00 O ATOM 274 CB ILE A 20 -0.540 7.025 3.459 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.081 7.151 2.066 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.039 7.279 3.400 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.475 8.303 1.259 1.00 0.00 C ATOM 0 H ILE A 20 2.068 7.202 4.471 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.251 9.010 4.254 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.377 6.009 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.159 7.276 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.082 6.222 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.500 6.578 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.470 7.143 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.222 8.299 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.010 8.332 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.549 8.170 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.288 9.239 1.785 1.00 0.00 H new ATOM 289 N LYS A 21 -1.334 8.071 6.366 1.00 0.00 N ATOM 290 CA LYS A 21 -1.771 7.749 7.719 1.00 0.00 C ATOM 291 C LYS A 21 -3.215 7.257 7.722 1.00 0.00 C ATOM 292 O LYS A 21 -3.934 7.410 6.736 1.00 0.00 O ATOM 293 CB LYS A 21 -1.637 8.974 8.626 1.00 0.00 C ATOM 294 CG LYS A 21 -0.295 9.064 9.332 1.00 0.00 C ATOM 295 CD LYS A 21 0.792 9.572 8.399 1.00 0.00 C ATOM 296 CE LYS A 21 2.147 9.609 9.090 1.00 0.00 C ATOM 297 NZ LYS A 21 3.007 10.705 8.566 1.00 0.00 N ATOM 0 H LYS A 21 -1.967 8.685 5.854 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.133 6.951 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.786 9.875 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.430 8.951 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.379 9.729 10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.018 8.082 9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.848 8.930 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.534 10.571 8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.004 9.741 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.652 8.653 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.964 10.614 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.054 10.644 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.604 11.624 8.841 1.00 0.00 H new ATOM 311 N ASN A 22 -3.632 6.667 8.837 1.00 0.00 N ATOM 312 CA ASN A 22 -4.991 6.154 8.968 1.00 0.00 C ATOM 313 C ASN A 22 -5.417 5.412 7.705 1.00 0.00 C ATOM 314 O ASN A 22 -6.444 5.728 7.104 1.00 0.00 O ATOM 315 CB ASN A 22 -5.966 7.298 9.254 1.00 0.00 C ATOM 316 CG ASN A 22 -7.150 6.854 10.091 1.00 0.00 C ATOM 317 OD1 ASN A 22 -8.344 6.932 9.515 1.00 0.00 O flip ATOM 318 ND2 ASN A 22 -6.992 6.445 11.242 1.00 0.00 N flip ATOM 0 H ASN A 22 -3.049 6.532 9.663 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.008 5.454 9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.439 8.100 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.325 7.710 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.056 6.402 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.798 6.149 11.793 1.00 0.00 H new ATOM 325 N MET A 23 -4.620 4.425 7.308 1.00 0.00 N ATOM 326 CA MET A 23 -4.916 3.638 6.116 1.00 0.00 C ATOM 327 C MET A 23 -5.025 2.155 6.458 1.00 0.00 C ATOM 328 O MET A 23 -5.574 1.369 5.685 1.00 0.00 O ATOM 329 CB MET A 23 -3.833 3.851 5.057 1.00 0.00 C ATOM 330 CG MET A 23 -2.428 3.555 5.556 1.00 0.00 C ATOM 331 SD MET A 23 -1.276 3.198 4.216 1.00 0.00 S ATOM 332 CE MET A 23 -2.137 1.872 3.374 1.00 0.00 C ATOM 0 H MET A 23 -3.766 4.151 7.793 1.00 0.00 H new ATOM 0 HA MET A 23 -5.874 3.973 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.046 3.215 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.876 4.883 4.708 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.062 4.408 6.127 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.460 2.705 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.427 1.089 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.902 1.460 4.032 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.606 2.259 2.470 1.00 0.00 H new ATOM 342 N PHE A 24 -4.499 1.780 7.619 1.00 0.00 N ATOM 343 CA PHE A 24 -4.537 0.391 8.062 1.00 0.00 C ATOM 344 C PHE A 24 -4.145 0.278 9.532 1.00 0.00 C ATOM 345 O PHE A 24 -3.854 1.280 10.188 1.00 0.00 O ATOM 346 CB PHE A 24 -3.601 -0.465 7.206 1.00 0.00 C ATOM 347 CG PHE A 24 -2.147 -0.140 7.399 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.476 -0.555 8.538 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.451 0.580 6.441 1.00 0.00 C ATOM 350 CE1 PHE A 24 -0.139 -0.257 8.719 1.00 0.00 C ATOM 351 CE2 PHE A 24 -0.113 0.881 6.616 1.00 0.00 C ATOM 352 CZ PHE A 24 0.544 0.461 7.756 1.00 0.00 C ATOM 0 H PHE A 24 -4.041 2.418 8.270 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.558 0.027 7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.765 -1.516 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.859 -0.331 6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.004 -1.118 9.293 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.960 0.910 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.372 -0.585 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.418 1.444 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.590 0.693 7.894 1.00 0.00 H new ATOM 362 N HIS A 25 -4.139 -0.948 10.045 1.00 0.00 N ATOM 363 CA HIS A 25 -3.783 -1.193 11.438 1.00 0.00 C ATOM 364 C HIS A 25 -3.037 -2.516 11.583 1.00 0.00 C ATOM 365 O HIS A 25 -3.395 -3.528 10.982 1.00 0.00 O ATOM 366 CB HIS A 25 -5.037 -1.203 12.313 1.00 0.00 C ATOM 367 CG HIS A 25 -4.781 -0.798 13.732 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.343 -1.678 14.698 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.902 0.402 14.345 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.208 -1.037 15.845 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.540 0.227 15.658 1.00 0.00 N ATOM 0 H HIS A 25 -4.377 -1.788 9.517 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.126 -0.387 11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.777 -0.531 11.880 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.470 -2.203 12.302 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.223 1.326 13.887 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.881 -1.473 16.778 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.529 0.955 16.372 1.00 0.00 H new ATOM 379 N PRO A 26 -1.973 -2.509 12.401 1.00 0.00 N ATOM 380 CA PRO A 26 -1.154 -3.700 12.644 1.00 0.00 C ATOM 381 C PRO A 26 -1.894 -4.756 13.456 1.00 0.00 C ATOM 382 O PRO A 26 -1.306 -5.752 13.879 1.00 0.00 O ATOM 383 CB PRO A 26 0.038 -3.155 13.435 1.00 0.00 C ATOM 384 CG PRO A 26 -0.477 -1.923 14.096 1.00 0.00 C ATOM 385 CD PRO A 26 -1.489 -1.337 13.150 1.00 0.00 C ATOM 0 HA PRO A 26 -0.875 -4.199 11.716 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.391 -3.880 14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.879 -2.930 12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.932 -2.158 15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.331 -1.217 14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.298 -0.839 13.685 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.040 -0.595 12.490 1.00 0.00 H new ATOM 393 N MET A 27 -3.186 -4.533 13.671 1.00 0.00 N ATOM 394 CA MET A 27 -4.007 -5.468 14.433 1.00 0.00 C ATOM 395 C MET A 27 -4.966 -6.220 13.516 1.00 0.00 C ATOM 396 O MET A 27 -5.527 -7.247 13.897 1.00 0.00 O ATOM 397 CB MET A 27 -4.793 -4.726 15.515 1.00 0.00 C ATOM 398 CG MET A 27 -3.910 -4.062 16.560 1.00 0.00 C ATOM 399 SD MET A 27 -3.235 -5.238 17.747 1.00 0.00 S ATOM 400 CE MET A 27 -1.889 -5.943 16.798 1.00 0.00 C ATOM 0 H MET A 27 -3.688 -3.713 13.329 1.00 0.00 H new ATOM 0 HA MET A 27 -3.344 -6.191 14.908 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.417 -3.967 15.043 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.464 -5.427 16.011 1.00 0.00 H new ATOM 0 HG2 MET A 27 -3.091 -3.544 16.062 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.488 -3.306 17.092 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.128 -6.328 17.477 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.267 -6.756 16.179 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.452 -5.175 16.161 1.00 0.00 H new ATOM 410 N ASP A 28 -5.151 -5.701 12.307 1.00 0.00 N ATOM 411 CA ASP A 28 -6.042 -6.325 11.336 1.00 0.00 C ATOM 412 C ASP A 28 -5.327 -7.439 10.578 1.00 0.00 C ATOM 413 O ASP A 28 -5.928 -8.460 10.242 1.00 0.00 O ATOM 414 CB ASP A 28 -6.570 -5.279 10.351 1.00 0.00 C ATOM 415 CG ASP A 28 -7.325 -4.162 11.044 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.286 -4.463 11.782 1.00 0.00 O ATOM 417 OD2 ASP A 28 -6.955 -2.986 10.847 1.00 0.00 O ATOM 0 H ASP A 28 -4.696 -4.850 11.976 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.882 -6.760 11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.735 -4.857 9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.226 -5.763 9.628 1.00 0.00 H new ATOM 422 N PHE A 29 -4.042 -7.236 10.311 1.00 0.00 N ATOM 423 CA PHE A 29 -3.245 -8.222 9.591 1.00 0.00 C ATOM 424 C PHE A 29 -3.089 -9.499 10.412 1.00 0.00 C ATOM 425 O PHE A 29 -2.905 -10.584 9.862 1.00 0.00 O ATOM 426 CB PHE A 29 -1.867 -7.648 9.253 1.00 0.00 C ATOM 427 CG PHE A 29 -1.913 -6.229 8.763 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.747 -5.870 7.717 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.123 -5.254 9.350 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.791 -4.565 7.264 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.162 -3.947 8.901 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.998 -3.602 7.857 1.00 0.00 C ATOM 0 H PHE A 29 -3.530 -6.397 10.583 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.766 -8.467 8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.234 -7.698 10.139 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.399 -8.272 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.370 -6.618 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.469 -5.518 10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.445 -4.298 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.540 -3.197 9.366 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.032 -2.581 7.505 1.00 0.00 H new ATOM 442 N GLU A 30 -3.163 -9.359 11.732 1.00 0.00 N ATOM 443 CA GLU A 30 -3.028 -10.501 12.629 1.00 0.00 C ATOM 444 C GLU A 30 -4.204 -11.460 12.469 1.00 0.00 C ATOM 445 O GLU A 30 -4.054 -12.673 12.616 1.00 0.00 O ATOM 446 CB GLU A 30 -2.935 -10.029 14.081 1.00 0.00 C ATOM 447 CG GLU A 30 -1.663 -9.256 14.390 1.00 0.00 C ATOM 448 CD GLU A 30 -0.539 -10.151 14.873 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.419 -11.284 14.361 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.221 -9.719 15.765 1.00 0.00 O ATOM 0 H GLU A 30 -3.315 -8.467 12.203 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.112 -11.030 12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.796 -9.400 14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.993 -10.895 14.740 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.340 -8.724 13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.875 -8.504 15.150 1.00 0.00 H new ATOM 457 N ASP A 31 -5.374 -10.907 12.168 1.00 0.00 N ATOM 458 CA ASP A 31 -6.576 -11.712 11.987 1.00 0.00 C ATOM 459 C ASP A 31 -6.615 -12.325 10.591 1.00 0.00 C ATOM 460 O ASP A 31 -7.107 -13.438 10.404 1.00 0.00 O ATOM 461 CB ASP A 31 -7.825 -10.861 12.219 1.00 0.00 C ATOM 462 CG ASP A 31 -9.089 -11.695 12.290 1.00 0.00 C ATOM 463 OD1 ASP A 31 -8.992 -12.892 12.633 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.176 -11.151 12.003 1.00 0.00 O ATOM 0 H ASP A 31 -5.515 -9.904 12.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.555 -12.520 12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.711 -10.299 13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.919 -10.132 11.414 1.00 0.00 H new ATOM 469 N ASP A 32 -6.095 -11.591 9.613 1.00 0.00 N ATOM 470 CA ASP A 32 -6.070 -12.062 8.233 1.00 0.00 C ATOM 471 C ASP A 32 -5.103 -11.233 7.394 1.00 0.00 C ATOM 472 O ASP A 32 -5.018 -10.012 7.525 1.00 0.00 O ATOM 473 CB ASP A 32 -7.473 -12.002 7.626 1.00 0.00 C ATOM 474 CG ASP A 32 -8.268 -13.268 7.880 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.054 -14.260 7.151 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.103 -13.267 8.808 1.00 0.00 O ATOM 0 H ASP A 32 -5.685 -10.667 9.751 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.727 -13.097 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.010 -11.150 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.394 -11.835 6.552 1.00 0.00 H new ATOM 481 N PRO A 33 -4.355 -11.911 6.510 1.00 0.00 N ATOM 482 CA PRO A 33 -3.380 -11.257 5.632 1.00 0.00 C ATOM 483 C PRO A 33 -4.048 -10.403 4.560 1.00 0.00 C ATOM 484 O PRO A 33 -3.563 -9.322 4.222 1.00 0.00 O ATOM 485 CB PRO A 33 -2.635 -12.432 4.993 1.00 0.00 C ATOM 486 CG PRO A 33 -3.600 -13.566 5.045 1.00 0.00 C ATOM 487 CD PRO A 33 -4.404 -13.368 6.300 1.00 0.00 C ATOM 0 HA PRO A 33 -2.733 -10.571 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.345 -12.206 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.721 -12.665 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.244 -13.571 4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.078 -14.523 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.428 -13.723 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.974 -13.910 7.142 1.00 0.00 H new ATOM 495 N LEU A 34 -5.161 -10.893 4.028 1.00 0.00 N ATOM 496 CA LEU A 34 -5.896 -10.174 2.993 1.00 0.00 C ATOM 497 C LEU A 34 -5.890 -8.673 3.265 1.00 0.00 C ATOM 498 O LEU A 34 -5.638 -7.870 2.366 1.00 0.00 O ATOM 499 CB LEU A 34 -7.336 -10.683 2.914 1.00 0.00 C ATOM 500 CG LEU A 34 -7.551 -11.966 2.111 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.656 -11.655 0.626 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.424 -12.955 2.372 1.00 0.00 C ATOM 0 H LEU A 34 -5.575 -11.786 4.296 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.401 -10.355 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.698 -10.848 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.954 -9.898 2.479 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.488 -12.420 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.809 -12.580 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.498 -10.985 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.736 -11.177 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.594 -13.862 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.474 -12.509 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.396 -13.203 3.433 1.00 0.00 H new ATOM 514 N VAL A 35 -6.167 -8.301 4.510 1.00 0.00 N ATOM 515 CA VAL A 35 -6.191 -6.897 4.902 1.00 0.00 C ATOM 516 C VAL A 35 -4.971 -6.156 4.364 1.00 0.00 C ATOM 517 O VAL A 35 -5.101 -5.145 3.672 1.00 0.00 O ATOM 518 CB VAL A 35 -6.237 -6.742 6.433 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.299 -5.272 6.820 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.421 -7.503 7.010 1.00 0.00 C ATOM 0 H VAL A 35 -6.378 -8.953 5.265 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.095 -6.464 4.473 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.323 -7.165 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.331 -5.183 7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.416 -4.758 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.194 -4.821 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.438 -7.382 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.346 -7.112 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.328 -8.561 6.764 1.00 0.00 H new ATOM 530 N LEU A 36 -3.787 -6.666 4.685 1.00 0.00 N ATOM 531 CA LEU A 36 -2.543 -6.053 4.233 1.00 0.00 C ATOM 532 C LEU A 36 -2.392 -6.177 2.721 1.00 0.00 C ATOM 533 O LEU A 36 -1.814 -5.307 2.071 1.00 0.00 O ATOM 534 CB LEU A 36 -1.348 -6.704 4.932 1.00 0.00 C ATOM 535 CG LEU A 36 -0.062 -5.878 4.972 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.237 -4.661 5.866 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.104 -6.730 5.451 1.00 0.00 C ATOM 0 H LEU A 36 -3.662 -7.502 5.256 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.574 -4.994 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.636 -6.940 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.133 -7.650 4.435 1.00 0.00 H new ATOM 0 HG LEU A 36 0.157 -5.533 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.688 -4.085 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.045 -4.039 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.481 -4.985 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.011 -6.126 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.893 -7.105 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.244 -7.570 4.771 1.00 0.00 H new ATOM 549 N ASN A 37 -2.919 -7.264 2.166 1.00 0.00 N ATOM 550 CA ASN A 37 -2.844 -7.502 0.729 1.00 0.00 C ATOM 551 C ASN A 37 -3.593 -6.419 -0.041 1.00 0.00 C ATOM 552 O ASN A 37 -3.008 -5.708 -0.858 1.00 0.00 O ATOM 553 CB ASN A 37 -3.421 -8.877 0.388 1.00 0.00 C ATOM 554 CG ASN A 37 -2.417 -9.994 0.598 1.00 0.00 C ATOM 555 OD1 ASN A 37 -2.701 -10.873 1.551 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -1.398 -10.065 -0.090 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.402 -7.994 2.690 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.795 -7.473 0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.300 -9.062 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.753 -8.881 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.220 -9.367 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.732 -10.822 0.062 1.00 0.00 H new ATOM 563 N GLU A 38 -4.889 -6.299 0.227 1.00 0.00 N ATOM 564 CA GLU A 38 -5.718 -5.302 -0.442 1.00 0.00 C ATOM 565 C GLU A 38 -5.165 -3.897 -0.218 1.00 0.00 C ATOM 566 O GLU A 38 -5.102 -3.089 -1.145 1.00 0.00 O ATOM 567 CB GLU A 38 -7.159 -5.382 0.065 1.00 0.00 C ATOM 568 CG GLU A 38 -7.278 -5.924 1.479 1.00 0.00 C ATOM 569 CD GLU A 38 -8.444 -5.322 2.239 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.601 -5.542 1.821 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.201 -4.632 3.251 1.00 0.00 O ATOM 0 H GLU A 38 -5.388 -6.879 0.902 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.705 -5.513 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.604 -4.388 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.737 -6.016 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.395 -7.007 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.354 -5.722 2.020 1.00 0.00 H new ATOM 578 N ILE A 39 -4.768 -3.614 1.018 1.00 0.00 N ATOM 579 CA ILE A 39 -4.221 -2.308 1.363 1.00 0.00 C ATOM 580 C ILE A 39 -2.935 -2.029 0.592 1.00 0.00 C ATOM 581 O ILE A 39 -2.816 -1.011 -0.089 1.00 0.00 O ATOM 582 CB ILE A 39 -3.935 -2.199 2.872 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.237 -2.306 3.669 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.223 -0.890 3.183 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.023 -2.551 5.146 1.00 0.00 C ATOM 0 H ILE A 39 -4.815 -4.271 1.797 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.973 -1.568 1.089 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.284 -3.023 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.809 -1.387 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.839 -3.116 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.028 -0.827 4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.279 -0.851 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.852 -0.053 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.989 -2.616 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.479 -3.485 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.447 -1.729 5.572 1.00 0.00 H new ATOM 597 N ARG A 40 -1.976 -2.942 0.703 1.00 0.00 N ATOM 598 CA ARG A 40 -0.698 -2.795 0.015 1.00 0.00 C ATOM 599 C ARG A 40 -0.909 -2.533 -1.473 1.00 0.00 C ATOM 600 O ARG A 40 -0.491 -1.501 -1.996 1.00 0.00 O ATOM 601 CB ARG A 40 0.156 -4.050 0.208 1.00 0.00 C ATOM 602 CG ARG A 40 1.644 -3.808 0.017 1.00 0.00 C ATOM 603 CD ARG A 40 2.356 -5.063 -0.463 1.00 0.00 C ATOM 604 NE ARG A 40 3.747 -5.107 -0.022 1.00 0.00 N ATOM 605 CZ ARG A 40 4.638 -5.975 -0.486 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.285 -6.868 -1.400 1.00 0.00 N ATOM 607 NH2 ARG A 40 5.886 -5.952 -0.035 1.00 0.00 N ATOM 0 H ARG A 40 -2.059 -3.791 1.262 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.177 -1.940 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.014 -4.444 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.173 -4.815 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.793 -3.005 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.083 -3.476 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.830 -5.942 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.320 -5.106 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 40 4.051 -4.434 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.327 -6.889 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.972 -7.534 -1.755 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.161 -5.267 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.570 -6.619 -0.392 1.00 0.00 H new ATOM 621 N GLU A 41 -1.558 -3.476 -2.149 1.00 0.00 N ATOM 622 CA GLU A 41 -1.822 -3.347 -3.577 1.00 0.00 C ATOM 623 C GLU A 41 -2.562 -2.047 -3.878 1.00 0.00 C ATOM 624 O GLU A 41 -2.321 -1.405 -4.900 1.00 0.00 O ATOM 625 CB GLU A 41 -2.640 -4.540 -4.077 1.00 0.00 C ATOM 626 CG GLU A 41 -4.142 -4.318 -4.013 1.00 0.00 C ATOM 627 CD GLU A 41 -4.929 -5.605 -4.163 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.634 -6.571 -3.428 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.840 -5.647 -5.016 1.00 0.00 O ATOM 0 H GLU A 41 -1.910 -4.337 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.864 -3.329 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.357 -4.758 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.385 -5.418 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.396 -3.850 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.437 -3.623 -4.799 1.00 0.00 H new ATOM 636 N ASP A 42 -3.465 -1.666 -2.981 1.00 0.00 N ATOM 637 CA ASP A 42 -4.241 -0.443 -3.150 1.00 0.00 C ATOM 638 C ASP A 42 -3.324 0.769 -3.279 1.00 0.00 C ATOM 639 O ASP A 42 -3.534 1.632 -4.132 1.00 0.00 O ATOM 640 CB ASP A 42 -5.195 -0.252 -1.970 1.00 0.00 C ATOM 641 CG ASP A 42 -6.532 -0.934 -2.190 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.949 -1.056 -3.360 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.160 -1.344 -1.192 1.00 0.00 O ATOM 0 H ASP A 42 -3.678 -2.186 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.823 -0.535 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.733 -0.648 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.356 0.813 -1.806 1.00 0.00 H new ATOM 648 N LEU A 43 -2.307 0.828 -2.426 1.00 0.00 N ATOM 649 CA LEU A 43 -1.357 1.935 -2.444 1.00 0.00 C ATOM 650 C LEU A 43 -0.513 1.908 -3.714 1.00 0.00 C ATOM 651 O LEU A 43 -0.042 2.946 -4.180 1.00 0.00 O ATOM 652 CB LEU A 43 -0.450 1.875 -1.213 1.00 0.00 C ATOM 653 CG LEU A 43 -0.933 2.646 0.016 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.038 2.469 1.173 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.109 4.120 -0.315 1.00 0.00 C ATOM 0 H LEU A 43 -2.119 0.123 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.922 2.867 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.320 0.830 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.533 2.255 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.900 2.244 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.322 3.025 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.113 1.412 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.020 2.844 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.453 4.653 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.156 4.536 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.844 4.229 -1.112 1.00 0.00 H new ATOM 667 N ARG A 44 -0.327 0.715 -4.269 1.00 0.00 N ATOM 668 CA ARG A 44 0.459 0.554 -5.486 1.00 0.00 C ATOM 669 C ARG A 44 -0.380 0.866 -6.722 1.00 0.00 C ATOM 670 O ARG A 44 0.149 1.263 -7.760 1.00 0.00 O ATOM 671 CB ARG A 44 1.010 -0.871 -5.577 1.00 0.00 C ATOM 672 CG ARG A 44 2.304 -0.974 -6.367 1.00 0.00 C ATOM 673 CD ARG A 44 2.971 -2.327 -6.170 1.00 0.00 C ATOM 674 NE ARG A 44 3.776 -2.714 -7.325 1.00 0.00 N ATOM 675 CZ ARG A 44 3.272 -3.280 -8.416 1.00 0.00 C ATOM 676 NH1 ARG A 44 1.971 -3.523 -8.500 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.069 -3.603 -9.426 1.00 0.00 N ATOM 0 H ARG A 44 -0.710 -0.154 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 44 1.291 1.257 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.178 -1.252 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.260 -1.513 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.098 -0.819 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.986 -0.182 -6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.603 -2.294 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.208 -3.084 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 44 4.781 -2.540 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.355 -3.275 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.586 -3.958 -9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.070 -3.417 -9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.681 -4.038 -10.263 1.00 0.00 H new ATOM 691 N VAL A 45 -1.691 0.684 -6.602 1.00 0.00 N ATOM 692 CA VAL A 45 -2.604 0.947 -7.708 1.00 0.00 C ATOM 693 C VAL A 45 -3.123 2.379 -7.663 1.00 0.00 C ATOM 694 O VAL A 45 -3.512 2.940 -8.687 1.00 0.00 O ATOM 695 CB VAL A 45 -3.801 -0.022 -7.689 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.351 -1.420 -7.293 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.883 0.486 -6.748 1.00 0.00 C ATOM 0 H VAL A 45 -2.145 0.355 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.039 0.797 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.220 -0.073 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.210 -2.090 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.615 -1.782 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.905 -1.391 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.721 -0.211 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.479 0.568 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.226 1.465 -7.083 1.00 0.00 H new ATOM 707 N GLU A 46 -3.126 2.966 -6.470 1.00 0.00 N ATOM 708 CA GLU A 46 -3.597 4.334 -6.293 1.00 0.00 C ATOM 709 C GLU A 46 -2.539 5.337 -6.743 1.00 0.00 C ATOM 710 O GLU A 46 -2.844 6.306 -7.440 1.00 0.00 O ATOM 711 CB GLU A 46 -3.963 4.585 -4.829 1.00 0.00 C ATOM 712 CG GLU A 46 -2.805 5.102 -3.992 1.00 0.00 C ATOM 713 CD GLU A 46 -3.234 5.523 -2.600 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.446 5.456 -2.307 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.358 5.921 -1.803 1.00 0.00 O ATOM 0 H GLU A 46 -2.808 2.515 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.485 4.468 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.781 5.304 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.331 3.657 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.043 4.326 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.346 5.951 -4.499 1.00 0.00 H new ATOM 722 N CYS A 47 -1.296 5.097 -6.340 1.00 0.00 N ATOM 723 CA CYS A 47 -0.192 5.980 -6.701 1.00 0.00 C ATOM 724 C CYS A 47 0.183 5.809 -8.169 1.00 0.00 C ATOM 725 O CYS A 47 0.775 6.701 -8.777 1.00 0.00 O ATOM 726 CB CYS A 47 1.022 5.699 -5.815 1.00 0.00 C ATOM 727 SG CYS A 47 0.720 5.941 -4.049 1.00 0.00 S ATOM 0 H CYS A 47 -1.027 4.299 -5.764 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.516 7.009 -6.546 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.348 4.672 -5.979 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.842 6.347 -6.124 1.00 0.00 H new ATOM 0 HG CYS A 47 0.335 4.819 -3.517 1.00 0.00 H new ATOM 733 N SER A 48 -0.163 4.656 -8.733 1.00 0.00 N ATOM 734 CA SER A 48 0.142 4.366 -10.129 1.00 0.00 C ATOM 735 C SER A 48 -0.798 5.125 -11.060 1.00 0.00 C ATOM 736 O SER A 48 -0.464 5.394 -12.215 1.00 0.00 O ATOM 737 CB SER A 48 0.037 2.863 -10.394 1.00 0.00 C ATOM 738 OG SER A 48 0.352 2.559 -11.742 1.00 0.00 O ATOM 0 H SER A 48 -0.655 3.908 -8.245 1.00 0.00 H new ATOM 0 HA SER A 48 1.163 4.693 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.713 2.325 -9.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.973 2.520 -10.167 1.00 0.00 H new ATOM 0 HG SER A 48 0.851 3.304 -12.138 1.00 0.00 H new ATOM 744 N LYS A 49 -1.975 5.469 -10.550 1.00 0.00 N ATOM 745 CA LYS A 49 -2.965 6.199 -11.333 1.00 0.00 C ATOM 746 C LYS A 49 -2.335 7.409 -12.015 1.00 0.00 C ATOM 747 O LYS A 49 -2.577 7.665 -13.195 1.00 0.00 O ATOM 748 CB LYS A 49 -4.122 6.650 -10.438 1.00 0.00 C ATOM 749 CG LYS A 49 -4.826 5.504 -9.731 1.00 0.00 C ATOM 750 CD LYS A 49 -5.295 4.446 -10.715 1.00 0.00 C ATOM 751 CE LYS A 49 -6.115 3.367 -10.025 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.133 2.775 -10.936 1.00 0.00 N ATOM 0 H LYS A 49 -2.267 5.254 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.348 5.529 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.742 7.348 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.848 7.194 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.150 5.053 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.680 5.889 -9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.893 4.914 -11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.432 3.993 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.451 2.582 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.612 3.791 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.671 2.044 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.783 3.519 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.658 2.348 -11.756 1.00 0.00 H new ATOM 766 N PHE A 50 -1.525 8.149 -11.266 1.00 0.00 N ATOM 767 CA PHE A 50 -0.859 9.332 -11.799 1.00 0.00 C ATOM 768 C PHE A 50 0.319 8.940 -12.686 1.00 0.00 C ATOM 769 O PHE A 50 0.635 9.626 -13.657 1.00 0.00 O ATOM 770 CB PHE A 50 -0.377 10.230 -10.658 1.00 0.00 C ATOM 771 CG PHE A 50 -1.330 10.290 -9.499 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.354 9.280 -8.551 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.202 11.358 -9.357 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.231 9.333 -7.484 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.081 11.416 -8.292 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.095 10.403 -7.354 1.00 0.00 C ATOM 0 H PHE A 50 -1.314 7.951 -10.288 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.579 9.882 -12.405 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.589 9.869 -10.305 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.220 11.238 -11.041 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.680 8.442 -8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.195 12.154 -10.087 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.241 8.539 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.756 12.253 -8.194 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.780 10.447 -6.520 1.00 0.00 H new ATOM 786 N GLY A 51 0.967 7.831 -12.343 1.00 0.00 N ATOM 787 CA GLY A 51 2.104 7.366 -13.116 1.00 0.00 C ATOM 788 C GLY A 51 2.473 5.931 -12.799 1.00 0.00 C ATOM 789 O GLY A 51 1.723 5.007 -13.114 1.00 0.00 O ATOM 0 H GLY A 51 0.725 7.246 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.877 7.453 -14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.961 8.010 -12.919 1.00 0.00 H new ATOM 793 N GLN A 52 3.632 5.743 -12.177 1.00 0.00 N ATOM 794 CA GLN A 52 4.100 4.409 -11.820 1.00 0.00 C ATOM 795 C GLN A 52 4.504 4.348 -10.351 1.00 0.00 C ATOM 796 O GLN A 52 4.463 5.356 -9.644 1.00 0.00 O ATOM 797 CB GLN A 52 5.282 4.007 -12.703 1.00 0.00 C ATOM 798 CG GLN A 52 4.880 3.605 -14.113 1.00 0.00 C ATOM 799 CD GLN A 52 6.073 3.289 -14.993 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.276 2.142 -15.394 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.870 4.306 -15.298 1.00 0.00 N ATOM 0 H GLN A 52 4.264 6.497 -11.910 1.00 0.00 H new ATOM 0 HA GLN A 52 3.280 3.709 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.983 4.840 -12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.809 3.176 -12.234 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.227 2.733 -14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.303 4.411 -14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.663 5.240 -14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.689 4.153 -15.887 1.00 0.00 H new ATOM 810 N ILE A 53 4.893 3.162 -9.897 1.00 0.00 N ATOM 811 CA ILE A 53 5.304 2.971 -8.512 1.00 0.00 C ATOM 812 C ILE A 53 6.742 2.467 -8.430 1.00 0.00 C ATOM 813 O ILE A 53 6.993 1.264 -8.494 1.00 0.00 O ATOM 814 CB ILE A 53 4.382 1.977 -7.782 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.945 2.115 -8.289 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.443 2.203 -6.279 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.279 3.408 -7.874 1.00 0.00 C ATOM 0 H ILE A 53 4.932 2.318 -10.469 1.00 0.00 H new ATOM 0 HA ILE A 53 5.233 3.944 -8.025 1.00 0.00 H new ATOM 0 HB ILE A 53 4.726 0.964 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.944 2.048 -9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.355 1.277 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.786 1.493 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.466 2.060 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.121 3.219 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.263 3.437 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.248 3.468 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.846 4.252 -8.268 1.00 0.00 H new ATOM 829 N ARG A 54 7.681 3.396 -8.287 1.00 0.00 N ATOM 830 CA ARG A 54 9.093 3.047 -8.195 1.00 0.00 C ATOM 831 C ARG A 54 9.329 2.018 -7.093 1.00 0.00 C ATOM 832 O ARG A 54 10.162 1.123 -7.231 1.00 0.00 O ATOM 833 CB ARG A 54 9.934 4.297 -7.929 1.00 0.00 C ATOM 834 CG ARG A 54 10.285 5.074 -9.187 1.00 0.00 C ATOM 835 CD ARG A 54 11.582 4.575 -9.806 1.00 0.00 C ATOM 836 NE ARG A 54 12.691 4.614 -8.857 1.00 0.00 N ATOM 837 CZ ARG A 54 13.879 4.067 -9.092 1.00 0.00 C ATOM 838 NH1 ARG A 54 14.110 3.444 -10.239 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.839 4.144 -8.179 1.00 0.00 N ATOM 0 H ARG A 54 7.489 4.396 -8.232 1.00 0.00 H new ATOM 0 HA ARG A 54 9.395 2.610 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.391 4.952 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.855 4.004 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.476 4.981 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.379 6.133 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.445 3.554 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.827 5.185 -10.675 1.00 0.00 H new ATOM 0 HE ARG A 54 12.546 5.087 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.375 3.384 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.023 3.025 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.665 4.623 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.750 3.724 -8.361 1.00 0.00 H new ATOM 853 N LYS A 55 8.589 2.154 -5.997 1.00 0.00 N ATOM 854 CA LYS A 55 8.715 1.237 -4.870 1.00 0.00 C ATOM 855 C LYS A 55 7.595 1.460 -3.859 1.00 0.00 C ATOM 856 O LYS A 55 7.145 2.588 -3.654 1.00 0.00 O ATOM 857 CB LYS A 55 10.074 1.417 -4.189 1.00 0.00 C ATOM 858 CG LYS A 55 10.251 0.559 -2.949 1.00 0.00 C ATOM 859 CD LYS A 55 11.709 0.190 -2.730 1.00 0.00 C ATOM 860 CE LYS A 55 11.876 -0.740 -1.538 1.00 0.00 C ATOM 861 NZ LYS A 55 13.149 -1.509 -1.608 1.00 0.00 N ATOM 0 H LYS A 55 7.896 2.891 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 55 8.638 0.219 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.863 1.177 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.198 2.465 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.876 1.095 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.655 -0.349 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.102 -0.291 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.295 1.095 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.854 -0.157 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.035 -1.433 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.225 -2.131 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.160 -2.085 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.953 -0.849 -1.621 1.00 0.00 H new ATOM 875 N LEU A 56 7.149 0.379 -3.229 1.00 0.00 N ATOM 876 CA LEU A 56 6.082 0.456 -2.238 1.00 0.00 C ATOM 877 C LEU A 56 6.419 -0.380 -1.008 1.00 0.00 C ATOM 878 O LEU A 56 6.748 -1.562 -1.119 1.00 0.00 O ATOM 879 CB LEU A 56 4.760 -0.018 -2.845 1.00 0.00 C ATOM 880 CG LEU A 56 3.488 0.520 -2.188 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.097 1.858 -2.797 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.352 -0.482 -2.324 1.00 0.00 C ATOM 0 H LEU A 56 7.510 -0.562 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 56 5.981 1.497 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.746 0.261 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.734 -1.107 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 56 3.687 0.671 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.190 2.225 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.903 2.576 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.917 1.733 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.455 -0.082 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.154 -0.666 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.632 -1.417 -1.839 1.00 0.00 H new ATOM 894 N LEU A 57 6.333 0.239 0.164 1.00 0.00 N ATOM 895 CA LEU A 57 6.626 -0.448 1.416 1.00 0.00 C ATOM 896 C LEU A 57 5.563 -0.144 2.467 1.00 0.00 C ATOM 897 O LEU A 57 5.336 1.015 2.818 1.00 0.00 O ATOM 898 CB LEU A 57 8.005 -0.038 1.935 1.00 0.00 C ATOM 899 CG LEU A 57 9.096 0.136 0.878 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.274 0.911 1.448 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.551 -1.218 0.353 1.00 0.00 C ATOM 0 H LEU A 57 6.062 1.216 0.273 1.00 0.00 H new ATOM 0 HA LEU A 57 6.622 -1.521 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.902 0.901 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.339 -0.788 2.652 1.00 0.00 H new ATOM 0 HG LEU A 57 8.681 0.706 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.040 1.025 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.938 1.895 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.689 0.369 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.328 -1.075 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.948 -1.813 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.704 -1.738 -0.095 1.00 0.00 H new ATOM 913 N LEU A 58 4.917 -1.191 2.967 1.00 0.00 N ATOM 914 CA LEU A 58 3.879 -1.036 3.981 1.00 0.00 C ATOM 915 C LEU A 58 4.433 -1.311 5.375 1.00 0.00 C ATOM 916 O LEU A 58 4.926 -2.405 5.654 1.00 0.00 O ATOM 917 CB LEU A 58 2.710 -1.979 3.689 1.00 0.00 C ATOM 918 CG LEU A 58 1.319 -1.454 4.049 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.241 -2.343 3.447 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.157 -1.365 5.559 1.00 0.00 C ATOM 0 H LEU A 58 5.093 -2.156 2.687 1.00 0.00 H new ATOM 0 HA LEU A 58 3.525 -0.006 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.721 -2.221 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.876 -2.910 4.230 1.00 0.00 H new ATOM 0 HG LEU A 58 1.210 -0.453 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.742 -1.954 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.344 -2.356 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.347 -3.357 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.162 -0.990 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.286 -2.354 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.907 -0.687 5.966 1.00 0.00 H new ATOM 932 N PHE A 59 4.348 -0.313 6.247 1.00 0.00 N ATOM 933 CA PHE A 59 4.840 -0.448 7.613 1.00 0.00 C ATOM 934 C PHE A 59 3.783 -1.080 8.513 1.00 0.00 C ATOM 935 O PHE A 59 2.997 -0.381 9.152 1.00 0.00 O ATOM 936 CB PHE A 59 5.247 0.919 8.169 1.00 0.00 C ATOM 937 CG PHE A 59 6.154 1.692 7.254 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.869 1.047 6.258 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.292 3.064 7.391 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.704 1.755 5.415 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.125 3.778 6.551 1.00 0.00 C ATOM 942 CZ PHE A 59 7.833 3.122 5.562 1.00 0.00 C ATOM 0 H PHE A 59 3.943 0.598 6.033 1.00 0.00 H new ATOM 0 HA PHE A 59 5.713 -1.100 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.349 1.507 8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.745 0.779 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.773 -0.022 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.742 3.581 8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.255 1.240 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.223 4.847 6.667 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.486 3.677 4.905 1.00 0.00 H new ATOM 952 N ASP A 60 3.769 -2.408 8.556 1.00 0.00 N ATOM 953 CA ASP A 60 2.809 -3.136 9.377 1.00 0.00 C ATOM 954 C ASP A 60 3.267 -3.190 10.831 1.00 0.00 C ATOM 955 O ASP A 60 3.083 -4.198 11.514 1.00 0.00 O ATOM 956 CB ASP A 60 2.617 -4.555 8.837 1.00 0.00 C ATOM 957 CG ASP A 60 3.861 -5.407 8.993 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.065 -5.965 10.092 1.00 0.00 O ATOM 959 OD2 ASP A 60 4.631 -5.516 8.016 1.00 0.00 O ATOM 0 H ASP A 60 4.412 -3.002 8.032 1.00 0.00 H new ATOM 0 HA ASP A 60 1.857 -2.607 9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.787 -5.030 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.344 -4.506 7.783 1.00 0.00 H new ATOM 964 N ARG A 61 3.865 -2.099 11.298 1.00 0.00 N ATOM 965 CA ARG A 61 4.352 -2.022 12.670 1.00 0.00 C ATOM 966 C ARG A 61 3.766 -0.810 13.388 1.00 0.00 C ATOM 967 O ARG A 61 3.680 -0.784 14.616 1.00 0.00 O ATOM 968 CB ARG A 61 5.880 -1.950 12.689 1.00 0.00 C ATOM 969 CG ARG A 61 6.543 -2.821 11.635 1.00 0.00 C ATOM 970 CD ARG A 61 6.114 -4.275 11.763 1.00 0.00 C ATOM 971 NE ARG A 61 7.163 -5.195 11.331 1.00 0.00 N ATOM 972 CZ ARG A 61 8.299 -5.378 11.994 1.00 0.00 C ATOM 973 NH1 ARG A 61 8.532 -4.708 13.114 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.205 -6.233 11.537 1.00 0.00 N ATOM 0 H ARG A 61 4.024 -1.256 10.746 1.00 0.00 H new ATOM 0 HA ARG A 61 4.031 -2.923 13.193 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.189 -0.915 12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.237 -2.250 13.674 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.287 -2.451 10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.626 -2.750 11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.851 -4.486 12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.217 -4.442 11.167 1.00 0.00 H new ATOM 0 HE ARG A 61 7.015 -5.726 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.838 -4.050 13.468 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.405 -4.851 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.029 -6.750 10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.077 -6.373 12.047 1.00 0.00 H new ATOM 988 N HIS A 62 3.365 0.194 12.613 1.00 0.00 N ATOM 989 CA HIS A 62 2.787 1.409 13.175 1.00 0.00 C ATOM 990 C HIS A 62 1.291 1.236 13.421 1.00 0.00 C ATOM 991 O HIS A 62 0.517 0.942 12.510 1.00 0.00 O ATOM 992 CB HIS A 62 3.028 2.594 12.238 1.00 0.00 C ATOM 993 CG HIS A 62 3.219 3.895 12.955 1.00 0.00 C ATOM 994 ND1 HIS A 62 4.192 4.830 12.849 1.00 0.00 N flip ATOM 995 CD2 HIS A 62 2.344 4.361 13.914 1.00 0.00 C flip ATOM 996 CE1 HIS A 62 3.890 5.834 13.736 1.00 0.00 C flip ATOM 997 NE2 HIS A 62 2.770 5.527 14.365 1.00 0.00 N flip ATOM 0 H HIS A 62 3.430 0.189 11.595 1.00 0.00 H new ATOM 0 HA HIS A 62 3.274 1.605 14.130 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.909 2.392 11.629 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.183 2.685 11.556 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.999 4.795 12.226 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.451 3.852 14.244 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.473 6.729 13.894 1.00 0.00 H new ATOM 1005 N PRO A 63 0.873 1.423 14.682 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.532 1.292 15.077 1.00 0.00 C ATOM 1007 C PRO A 63 -1.398 2.417 14.520 1.00 0.00 C ATOM 1008 O PRO A 63 -2.581 2.522 14.845 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.479 1.365 16.606 1.00 0.00 C ATOM 1010 CG PRO A 63 0.763 2.130 16.905 1.00 0.00 C ATOM 1011 CD PRO A 63 1.740 1.776 15.819 1.00 0.00 C ATOM 0 HA PRO A 63 -0.979 0.374 14.695 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.359 1.866 17.009 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.447 0.370 17.049 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.567 3.202 16.919 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.157 1.865 17.886 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.396 2.613 15.580 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.380 0.943 16.110 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.802 3.256 13.680 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.519 4.372 13.076 1.00 0.00 C ATOM 1021 C ASP A 64 -1.542 4.245 11.556 1.00 0.00 C ATOM 1022 O ASP A 64 -1.826 5.209 10.847 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.874 5.699 13.480 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.026 5.990 14.960 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.174 5.982 15.450 1.00 0.00 O ATOM 1026 OD2 ASP A 64 0.003 6.228 15.627 1.00 0.00 O ATOM 0 H ASP A 64 0.177 3.184 13.402 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.546 4.351 13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.185 5.678 13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.325 6.508 12.905 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.241 3.048 11.063 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.232 2.817 9.630 1.00 0.00 C ATOM 1033 C GLY A 65 -0.301 3.762 8.896 1.00 0.00 C ATOM 1034 O GLY A 65 -0.673 4.893 8.583 1.00 0.00 O ATOM 0 H GLY A 65 -1.003 2.234 11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.930 1.788 9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.243 2.933 9.240 1.00 0.00 H new ATOM 1038 N VAL A 66 0.914 3.299 8.622 1.00 0.00 N ATOM 1039 CA VAL A 66 1.902 4.111 7.921 1.00 0.00 C ATOM 1040 C VAL A 66 2.508 3.348 6.749 1.00 0.00 C ATOM 1041 O VAL A 66 2.854 2.173 6.871 1.00 0.00 O ATOM 1042 CB VAL A 66 3.031 4.561 8.866 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.095 5.332 8.099 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.471 5.399 10.005 1.00 0.00 C ATOM 0 H VAL A 66 1.238 2.366 8.875 1.00 0.00 H new ATOM 0 HA VAL A 66 1.380 4.992 7.546 1.00 0.00 H new ATOM 0 HB VAL A 66 3.497 3.674 9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.884 5.642 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.518 4.694 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.646 6.213 7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.283 5.708 10.663 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.977 6.282 9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.751 4.809 10.571 1.00 0.00 H new ATOM 1054 N ALA A 67 2.636 4.025 5.612 1.00 0.00 N ATOM 1055 CA ALA A 67 3.203 3.412 4.417 1.00 0.00 C ATOM 1056 C ALA A 67 4.109 4.389 3.676 1.00 0.00 C ATOM 1057 O ALA A 67 4.002 5.603 3.850 1.00 0.00 O ATOM 1058 CB ALA A 67 2.094 2.917 3.500 1.00 0.00 C ATOM 0 H ALA A 67 2.355 4.998 5.494 1.00 0.00 H new ATOM 0 HA ALA A 67 3.808 2.561 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.532 2.462 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.490 2.178 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.465 3.756 3.204 1.00 0.00 H new ATOM 1064 N SER A 68 5.001 3.852 2.850 1.00 0.00 N ATOM 1065 CA SER A 68 5.929 4.677 2.086 1.00 0.00 C ATOM 1066 C SER A 68 5.856 4.342 0.599 1.00 0.00 C ATOM 1067 O SER A 68 6.260 3.259 0.174 1.00 0.00 O ATOM 1068 CB SER A 68 7.358 4.480 2.595 1.00 0.00 C ATOM 1069 OG SER A 68 7.758 3.125 2.481 1.00 0.00 O ATOM 0 H SER A 68 5.101 2.849 2.693 1.00 0.00 H new ATOM 0 HA SER A 68 5.644 5.720 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.040 5.113 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.423 4.795 3.636 1.00 0.00 H new ATOM 0 HG SER A 68 7.831 2.729 3.375 1.00 0.00 H new ATOM 1075 N VAL A 69 5.338 5.280 -0.187 1.00 0.00 N ATOM 1076 CA VAL A 69 5.212 5.086 -1.627 1.00 0.00 C ATOM 1077 C VAL A 69 6.243 5.914 -2.385 1.00 0.00 C ATOM 1078 O VAL A 69 6.124 7.135 -2.483 1.00 0.00 O ATOM 1079 CB VAL A 69 3.803 5.462 -2.123 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.544 4.865 -3.498 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.748 5.005 -1.127 1.00 0.00 C ATOM 0 H VAL A 69 4.999 6.182 0.149 1.00 0.00 H new ATOM 0 HA VAL A 69 5.387 4.028 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 69 3.744 6.547 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.544 5.141 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.281 5.246 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.621 3.779 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.759 5.279 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.804 3.923 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.924 5.485 -0.164 1.00 0.00 H new ATOM 1091 N SER A 70 7.257 5.241 -2.921 1.00 0.00 N ATOM 1092 CA SER A 70 8.312 5.914 -3.668 1.00 0.00 C ATOM 1093 C SER A 70 7.866 6.204 -5.097 1.00 0.00 C ATOM 1094 O SER A 70 7.197 5.386 -5.729 1.00 0.00 O ATOM 1095 CB SER A 70 9.582 5.060 -3.681 1.00 0.00 C ATOM 1096 OG SER A 70 9.847 4.521 -2.398 1.00 0.00 O ATOM 0 H SER A 70 7.369 4.230 -2.851 1.00 0.00 H new ATOM 0 HA SER A 70 8.525 6.862 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.473 4.251 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.428 5.666 -4.006 1.00 0.00 H new ATOM 0 HG SER A 70 10.662 3.978 -2.433 1.00 0.00 H new ATOM 1102 N PHE A 71 8.240 7.375 -5.602 1.00 0.00 N ATOM 1103 CA PHE A 71 7.878 7.775 -6.957 1.00 0.00 C ATOM 1104 C PHE A 71 9.124 8.040 -7.797 1.00 0.00 C ATOM 1105 O PHE A 71 10.214 8.245 -7.262 1.00 0.00 O ATOM 1106 CB PHE A 71 6.996 9.025 -6.924 1.00 0.00 C ATOM 1107 CG PHE A 71 5.611 8.767 -6.404 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.397 8.516 -5.059 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.522 8.776 -7.262 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.123 8.278 -4.578 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.246 8.539 -6.787 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.046 8.291 -5.443 1.00 0.00 C ATOM 0 H PHE A 71 8.794 8.064 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 71 7.320 6.957 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.474 9.781 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.927 9.438 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.235 8.506 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.673 8.970 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.970 8.082 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.406 8.548 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.050 8.108 -5.069 1.00 0.00 H new ATOM 1122 N ARG A 72 8.954 8.034 -9.115 1.00 0.00 N ATOM 1123 CA ARG A 72 10.064 8.272 -10.029 1.00 0.00 C ATOM 1124 C ARG A 72 10.186 9.756 -10.363 1.00 0.00 C ATOM 1125 O ARG A 72 11.286 10.306 -10.400 1.00 0.00 O ATOM 1126 CB ARG A 72 9.876 7.463 -11.314 1.00 0.00 C ATOM 1127 CG ARG A 72 10.768 7.920 -12.458 1.00 0.00 C ATOM 1128 CD ARG A 72 12.212 7.494 -12.243 1.00 0.00 C ATOM 1129 NE ARG A 72 12.455 6.132 -12.709 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.653 5.680 -13.065 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.710 6.478 -13.008 1.00 0.00 N ATOM 1132 NH2 ARG A 72 13.795 4.428 -13.479 1.00 0.00 N ATOM 0 H ARG A 72 8.058 7.867 -9.573 1.00 0.00 H new ATOM 0 HA ARG A 72 10.982 7.952 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.078 6.412 -11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.834 7.531 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.401 7.504 -13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.717 9.005 -12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.875 8.181 -12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.457 7.564 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 72 11.662 5.493 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.605 7.442 -12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.628 6.128 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.984 3.811 -13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.715 4.082 -13.752 1.00 0.00 H new ATOM 1146 N ASP A 73 9.048 10.397 -10.605 1.00 0.00 N ATOM 1147 CA ASP A 73 9.026 11.818 -10.935 1.00 0.00 C ATOM 1148 C ASP A 73 8.527 12.643 -9.753 1.00 0.00 C ATOM 1149 O ASP A 73 7.570 12.278 -9.070 1.00 0.00 O ATOM 1150 CB ASP A 73 8.139 12.066 -12.157 1.00 0.00 C ATOM 1151 CG ASP A 73 8.726 11.482 -13.427 1.00 0.00 C ATOM 1152 OD1 ASP A 73 8.633 10.251 -13.612 1.00 0.00 O ATOM 1153 OD2 ASP A 73 9.280 12.256 -14.235 1.00 0.00 O ATOM 0 H ASP A 73 8.129 9.956 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 73 10.045 12.128 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.155 11.632 -11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.996 13.139 -12.286 1.00 0.00 H new ATOM 1158 N PRO A 74 9.191 13.781 -9.504 1.00 0.00 N ATOM 1159 CA PRO A 74 8.833 14.681 -8.403 1.00 0.00 C ATOM 1160 C PRO A 74 7.506 15.393 -8.644 1.00 0.00 C ATOM 1161 O PRO A 74 6.822 15.785 -7.700 1.00 0.00 O ATOM 1162 CB PRO A 74 9.985 15.690 -8.382 1.00 0.00 C ATOM 1163 CG PRO A 74 10.521 15.683 -9.771 1.00 0.00 C ATOM 1164 CD PRO A 74 10.342 14.278 -10.277 1.00 0.00 C ATOM 0 HA PRO A 74 8.701 14.144 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.636 16.683 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.750 15.402 -7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.986 16.395 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.572 15.972 -9.785 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.145 14.259 -11.349 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.232 13.673 -10.106 1.00 0.00 H new ATOM 1172 N GLU A 75 7.149 15.555 -9.914 1.00 0.00 N ATOM 1173 CA GLU A 75 5.903 16.220 -10.278 1.00 0.00 C ATOM 1174 C GLU A 75 4.699 15.362 -9.900 1.00 0.00 C ATOM 1175 O GLU A 75 3.684 15.874 -9.428 1.00 0.00 O ATOM 1176 CB GLU A 75 5.879 16.521 -11.778 1.00 0.00 C ATOM 1177 CG GLU A 75 6.989 17.454 -12.229 1.00 0.00 C ATOM 1178 CD GLU A 75 6.740 18.033 -13.609 1.00 0.00 C ATOM 1179 OE1 GLU A 75 6.432 17.253 -14.533 1.00 0.00 O ATOM 1180 OE2 GLU A 75 6.854 19.267 -13.763 1.00 0.00 O ATOM 0 H GLU A 75 7.704 15.235 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 75 5.846 17.158 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.957 15.584 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.917 16.963 -12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.089 18.267 -11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.935 16.913 -12.231 1.00 0.00 H new ATOM 1187 N GLU A 76 4.820 14.056 -10.113 1.00 0.00 N ATOM 1188 CA GLU A 76 3.741 13.128 -9.796 1.00 0.00 C ATOM 1189 C GLU A 76 3.470 13.100 -8.295 1.00 0.00 C ATOM 1190 O GLU A 76 2.397 13.496 -7.840 1.00 0.00 O ATOM 1191 CB GLU A 76 4.087 11.721 -10.289 1.00 0.00 C ATOM 1192 CG GLU A 76 2.871 10.892 -10.666 1.00 0.00 C ATOM 1193 CD GLU A 76 2.481 11.057 -12.122 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.047 10.337 -12.972 1.00 0.00 O ATOM 1195 OE2 GLU A 76 1.612 11.905 -12.412 1.00 0.00 O ATOM 0 H GLU A 76 5.654 13.617 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 76 2.840 13.472 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.745 11.800 -11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.645 11.200 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.077 9.840 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.030 11.178 -10.034 1.00 0.00 H new ATOM 1202 N ALA A 77 4.450 12.630 -7.531 1.00 0.00 N ATOM 1203 CA ALA A 77 4.319 12.552 -6.081 1.00 0.00 C ATOM 1204 C ALA A 77 3.709 13.830 -5.516 1.00 0.00 C ATOM 1205 O ALA A 77 2.655 13.797 -4.880 1.00 0.00 O ATOM 1206 CB ALA A 77 5.673 12.283 -5.442 1.00 0.00 C ATOM 0 H ALA A 77 5.344 12.297 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 77 3.649 11.725 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.560 12.227 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.070 11.339 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.361 13.090 -5.694 1.00 0.00 H new ATOM 1212 N ASP A 78 4.378 14.953 -5.750 1.00 0.00 N ATOM 1213 CA ASP A 78 3.901 16.243 -5.264 1.00 0.00 C ATOM 1214 C ASP A 78 2.413 16.414 -5.549 1.00 0.00 C ATOM 1215 O ASP A 78 1.686 17.025 -4.764 1.00 0.00 O ATOM 1216 CB ASP A 78 4.692 17.380 -5.912 1.00 0.00 C ATOM 1217 CG ASP A 78 4.133 18.746 -5.565 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.262 19.159 -4.393 1.00 0.00 O ATOM 1219 OD2 ASP A 78 3.565 19.401 -6.463 1.00 0.00 O ATOM 0 H ASP A 78 5.252 14.997 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 78 4.052 16.276 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.732 17.324 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.685 17.252 -6.994 1.00 0.00 H new ATOM 1224 N TYR A 79 1.965 15.873 -6.676 1.00 0.00 N ATOM 1225 CA TYR A 79 0.564 15.969 -7.067 1.00 0.00 C ATOM 1226 C TYR A 79 -0.246 14.817 -6.479 1.00 0.00 C ATOM 1227 O TYR A 79 -1.460 14.923 -6.305 1.00 0.00 O ATOM 1228 CB TYR A 79 0.437 15.971 -8.591 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.991 15.876 -9.080 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.041 16.378 -8.320 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.291 15.284 -10.300 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.347 16.294 -8.762 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.594 15.196 -10.750 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.618 15.702 -9.978 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.918 15.615 -10.422 1.00 0.00 O ATOM 0 H TYR A 79 2.552 15.363 -7.336 1.00 0.00 H new ATOM 0 HA TYR A 79 0.167 16.905 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.887 16.883 -8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.007 15.135 -8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.832 16.842 -7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.492 14.886 -10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.151 16.689 -8.159 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.809 14.733 -11.702 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.936 15.172 -11.296 1.00 0.00 H new ATOM 1245 N CYS A 80 0.436 13.718 -6.176 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.219 12.545 -5.607 1.00 0.00 C ATOM 1247 C CYS A 80 -0.438 12.718 -4.108 1.00 0.00 C ATOM 1248 O CYS A 80 -1.250 12.016 -3.505 1.00 0.00 O ATOM 1249 CB CYS A 80 0.616 11.291 -5.871 1.00 0.00 C ATOM 1250 SG CYS A 80 1.056 11.050 -7.608 1.00 0.00 S ATOM 0 H CYS A 80 1.441 13.614 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.191 12.434 -6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.530 11.345 -5.280 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.062 10.419 -5.523 1.00 0.00 H new ATOM 0 HG CYS A 80 0.018 10.622 -8.263 1.00 0.00 H new ATOM 1256 N ILE A 81 0.292 13.655 -3.512 1.00 0.00 N ATOM 1257 CA ILE A 81 0.177 13.919 -2.084 1.00 0.00 C ATOM 1258 C ILE A 81 -1.039 14.788 -1.781 1.00 0.00 C ATOM 1259 O ILE A 81 -1.568 14.766 -0.671 1.00 0.00 O ATOM 1260 CB ILE A 81 1.439 14.612 -1.536 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.411 16.106 -1.866 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.690 13.961 -2.106 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.690 16.940 -0.831 1.00 0.00 C ATOM 0 H ILE A 81 0.969 14.244 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 81 0.061 12.953 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 81 1.456 14.499 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.435 16.468 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.930 16.247 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.573 14.461 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.713 12.908 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.682 14.046 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.710 17.988 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.344 16.605 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.184 16.829 0.134 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.476 15.551 -2.778 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.631 16.427 -2.618 1.00 0.00 C ATOM 1277 C GLN A 82 -3.918 15.709 -3.013 1.00 0.00 C ATOM 1278 O GLN A 82 -5.001 16.046 -2.535 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.459 17.691 -3.462 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.889 17.426 -4.846 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.872 18.667 -5.717 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.847 18.969 -6.406 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.761 19.393 -5.691 1.00 0.00 N ATOM 0 H GLN A 82 -1.049 15.580 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.701 16.707 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.426 18.184 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.803 18.383 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.874 17.041 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.479 16.651 -5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.023 19.105 -5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.691 20.239 -6.257 1.00 0.00 H new ATOM 1292 N THR A 83 -3.791 14.717 -3.889 1.00 0.00 N ATOM 1293 CA THR A 83 -4.943 13.953 -4.349 1.00 0.00 C ATOM 1294 C THR A 83 -5.168 12.720 -3.481 1.00 0.00 C ATOM 1295 O THR A 83 -6.284 12.208 -3.389 1.00 0.00 O ATOM 1296 CB THR A 83 -4.775 13.511 -5.815 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.948 14.632 -6.688 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.779 12.425 -6.172 1.00 0.00 C ATOM 0 H THR A 83 -2.902 14.424 -4.294 1.00 0.00 H new ATOM 0 HA THR A 83 -5.809 14.611 -4.272 1.00 0.00 H new ATOM 0 HB THR A 83 -3.769 13.108 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.105 14.818 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.641 12.129 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.626 11.561 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.791 12.806 -6.035 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.101 12.248 -2.845 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.182 11.075 -1.982 1.00 0.00 C ATOM 1308 C LEU A 84 -4.425 11.481 -0.532 1.00 0.00 C ATOM 1309 O LEU A 84 -4.649 10.632 0.331 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.897 10.252 -2.085 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.586 9.661 -3.461 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.190 9.058 -3.480 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.626 8.617 -3.840 1.00 0.00 C ATOM 0 H LEU A 84 -3.170 12.660 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.023 10.467 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.060 10.883 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.954 9.435 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.622 10.464 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.987 8.642 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.456 9.832 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.125 8.267 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.389 8.207 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.623 7.815 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.612 9.080 -3.868 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.380 12.783 -0.272 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.599 13.302 1.073 1.00 0.00 C ATOM 1327 C ASP A 85 -6.048 13.099 1.505 1.00 0.00 C ATOM 1328 O ASP A 85 -6.396 13.313 2.665 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.239 14.787 1.134 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.421 15.683 0.820 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.176 15.361 -0.123 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.592 16.704 1.516 1.00 0.00 O ATOM 0 H ASP A 85 -4.194 13.498 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.954 12.751 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.860 15.025 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.434 14.992 0.428 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.889 12.684 0.562 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.290 12.460 0.865 1.00 0.00 C ATOM 1339 C GLY A 86 -8.721 11.032 0.595 1.00 0.00 C ATOM 1340 O GLY A 86 -9.866 10.662 0.854 1.00 0.00 O ATOM 0 H GLY A 86 -6.625 12.499 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.475 12.700 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.900 13.139 0.270 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.801 10.227 0.072 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.093 8.832 -0.236 1.00 0.00 C ATOM 1346 C ARG A 87 -8.761 8.142 0.950 1.00 0.00 C ATOM 1347 O ARG A 87 -8.717 8.639 2.075 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.809 8.092 -0.614 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.344 8.365 -2.035 1.00 0.00 C ATOM 1350 CD ARG A 87 -6.918 7.352 -3.013 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.248 7.734 -3.479 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.035 6.935 -4.191 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.628 5.716 -4.516 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.233 7.355 -4.579 1.00 0.00 N ATOM 0 H ARG A 87 -6.848 10.517 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.780 8.808 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.018 8.377 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.968 7.021 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.646 9.370 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.255 8.334 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.249 7.254 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.969 6.374 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.592 8.665 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.708 5.389 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.234 5.105 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.550 8.292 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.836 6.741 -5.126 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.378 6.995 0.689 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.055 6.237 1.735 1.00 0.00 C ATOM 1370 C TRP A 88 -9.590 4.785 1.743 1.00 0.00 C ATOM 1371 O TRP A 88 -9.703 4.081 0.740 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.571 6.298 1.538 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.152 7.652 1.814 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.070 8.757 1.016 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.901 8.043 2.970 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.724 9.812 1.607 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.243 9.400 2.805 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.319 7.379 4.126 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.981 10.102 3.755 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.050 8.077 5.068 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.376 9.427 4.877 1.00 0.00 C ATOM 0 H TRP A 88 -9.423 6.570 -0.237 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.802 6.686 2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.809 6.010 0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.045 5.567 2.193 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.566 8.796 0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.809 10.750 1.216 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.075 6.338 4.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.232 11.142 3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.376 7.574 5.967 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.951 9.944 5.631 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.066 4.343 2.881 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.582 2.974 3.019 1.00 0.00 C ATOM 1394 C PHE A 89 -9.252 2.277 4.200 1.00 0.00 C ATOM 1395 O PHE A 89 -9.457 2.877 5.254 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.063 2.964 3.202 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.303 3.075 1.911 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.524 4.140 1.051 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.369 2.116 1.556 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.827 4.244 -0.138 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.668 2.215 0.369 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.897 3.281 -0.479 1.00 0.00 C ATOM 0 H PHE A 89 -8.966 4.913 3.721 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.835 2.432 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.778 3.790 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.772 2.043 3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.249 4.897 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.186 1.280 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.009 5.078 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.942 1.460 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.350 3.362 -1.407 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.591 1.005 4.013 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.235 0.246 5.070 1.00 0.00 C ATOM 1414 C GLY A 90 -11.596 0.803 5.437 1.00 0.00 C ATOM 1415 O GLY A 90 -12.240 0.324 6.369 1.00 0.00 O ATOM 0 H GLY A 90 -9.431 0.487 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.344 -0.791 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.596 0.245 5.953 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.035 1.820 4.701 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.326 2.428 4.971 1.00 0.00 C ATOM 1421 C GLY A 91 -13.200 3.830 5.532 1.00 0.00 C ATOM 1422 O GLY A 91 -14.178 4.576 5.580 1.00 0.00 O ATOM 0 H GLY A 91 -11.521 2.234 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.909 2.459 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.877 1.806 5.676 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.994 4.189 5.960 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.746 5.510 6.524 1.00 0.00 C ATOM 1428 C ARG A 92 -10.847 6.333 5.605 1.00 0.00 C ATOM 1429 O ARG A 92 -10.122 5.784 4.776 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.102 5.386 7.906 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.759 4.675 7.890 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.400 4.131 9.265 1.00 0.00 C ATOM 1433 NE ARG A 92 -9.906 2.776 9.467 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.481 1.723 8.778 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.548 1.868 7.847 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -9.990 0.522 9.019 1.00 0.00 N ATOM 0 H ARG A 92 -11.174 3.584 5.927 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.704 6.021 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.971 6.383 8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.781 4.847 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.788 3.857 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.984 5.366 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.317 4.135 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.808 4.788 10.033 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.625 2.630 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.155 2.790 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.224 1.058 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.708 0.407 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.663 -0.286 8.489 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.902 7.652 5.758 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.095 8.550 4.941 1.00 0.00 C ATOM 1452 C GLN A 93 -8.633 8.512 5.373 1.00 0.00 C ATOM 1453 O GLN A 93 -8.315 8.087 6.484 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.630 9.980 5.035 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.402 10.799 3.775 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.566 12.288 4.009 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.742 12.734 5.144 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.508 13.066 2.935 1.00 0.00 N ATOM 0 H GLN A 93 -11.497 8.122 6.440 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.158 8.214 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.698 9.946 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.153 10.483 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.399 10.603 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.103 10.477 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.361 12.654 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.611 14.076 3.031 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.747 8.959 4.489 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.319 8.977 4.780 1.00 0.00 C ATOM 1469 C ILE A 94 -5.671 10.260 4.272 1.00 0.00 C ATOM 1470 O ILE A 94 -6.195 10.923 3.377 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.602 7.768 4.151 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.581 7.896 2.627 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.279 6.472 4.571 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.795 6.802 1.939 1.00 0.00 C ATOM 0 H ILE A 94 -7.993 9.314 3.565 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.216 8.926 5.864 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.573 7.749 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.606 7.884 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.155 8.862 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.760 5.627 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.245 6.379 5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.317 6.480 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.823 6.957 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.761 6.826 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.234 5.833 2.178 1.00 0.00 H new ATOM 1486 N THR A 95 -4.523 10.605 4.849 1.00 0.00 N ATOM 1487 CA THR A 95 -3.802 11.808 4.455 1.00 0.00 C ATOM 1488 C THR A 95 -2.495 11.460 3.752 1.00 0.00 C ATOM 1489 O THR A 95 -1.947 10.374 3.942 1.00 0.00 O ATOM 1490 CB THR A 95 -3.495 12.703 5.671 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.893 13.928 5.238 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.568 11.993 6.646 1.00 0.00 C ATOM 0 H THR A 95 -4.074 10.068 5.590 1.00 0.00 H new ATOM 0 HA THR A 95 -4.448 12.352 3.766 1.00 0.00 H new ATOM 0 HB THR A 95 -4.434 12.920 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.703 14.492 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.366 12.645 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.042 11.076 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.631 11.749 6.145 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.999 12.388 2.941 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.754 12.180 2.212 1.00 0.00 C ATOM 1502 C ALA A 96 0.176 13.379 2.360 1.00 0.00 C ATOM 1503 O ALA A 96 -0.276 14.504 2.566 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.042 11.910 0.742 1.00 0.00 C ATOM 0 H ALA A 96 -2.441 13.292 2.772 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.253 11.311 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.103 11.757 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.661 11.018 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.568 12.762 0.312 1.00 0.00 H new ATOM 1510 N GLN A 97 1.477 13.129 2.253 1.00 0.00 N ATOM 1511 CA GLN A 97 2.471 14.189 2.377 1.00 0.00 C ATOM 1512 C GLN A 97 3.840 13.711 1.905 1.00 0.00 C ATOM 1513 O GLN A 97 4.091 12.509 1.815 1.00 0.00 O ATOM 1514 CB GLN A 97 2.557 14.669 3.827 1.00 0.00 C ATOM 1515 CG GLN A 97 2.681 13.539 4.836 1.00 0.00 C ATOM 1516 CD GLN A 97 1.336 13.072 5.357 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.685 12.189 4.609 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.887 13.501 6.420 1.00 0.00 N flip ATOM 0 H GLN A 97 1.867 12.202 2.081 1.00 0.00 H new ATOM 0 HA GLN A 97 2.159 15.020 1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.415 15.333 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.669 15.257 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.199 12.699 4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.296 13.870 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.422 14.179 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.020 13.178 6.758 1.00 0.00 H new ATOM 1527 N ALA A 98 4.721 14.658 1.604 1.00 0.00 N ATOM 1528 CA ALA A 98 6.065 14.333 1.143 1.00 0.00 C ATOM 1529 C ALA A 98 7.006 14.093 2.319 1.00 0.00 C ATOM 1530 O ALA A 98 6.990 14.836 3.301 1.00 0.00 O ATOM 1531 CB ALA A 98 6.602 15.445 0.254 1.00 0.00 C ATOM 0 H ALA A 98 4.528 15.657 1.671 1.00 0.00 H new ATOM 0 HA ALA A 98 6.010 13.413 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.606 15.189 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.949 15.567 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.635 16.377 0.818 1.00 0.00 H new ATOM 1537 N TRP A 99 7.823 13.051 2.213 1.00 0.00 N ATOM 1538 CA TRP A 99 8.771 12.713 3.269 1.00 0.00 C ATOM 1539 C TRP A 99 10.123 13.372 3.019 1.00 0.00 C ATOM 1540 O TRP A 99 10.393 13.857 1.920 1.00 0.00 O ATOM 1541 CB TRP A 99 8.938 11.196 3.366 1.00 0.00 C ATOM 1542 CG TRP A 99 9.792 10.765 4.520 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.659 11.145 5.824 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.910 9.872 4.472 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.627 10.543 6.591 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.407 9.756 5.785 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.539 9.157 3.449 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.503 8.957 6.098 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.626 8.364 3.761 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.099 8.269 5.077 1.00 0.00 C ATOM 0 H TRP A 99 7.848 12.426 1.407 1.00 0.00 H new ATOM 0 HA TRP A 99 8.375 13.088 4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.955 10.735 3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.378 10.826 2.440 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.904 11.820 6.198 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.746 10.663 7.597 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.181 9.223 2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.870 8.883 7.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.120 7.808 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.951 7.640 5.289 1.00 0.00 H new ATOM 1561 N ASP A 100 10.968 13.385 4.043 1.00 0.00 N ATOM 1562 CA ASP A 100 12.294 13.983 3.933 1.00 0.00 C ATOM 1563 C ASP A 100 13.377 12.978 4.312 1.00 0.00 C ATOM 1564 O ASP A 100 14.128 12.509 3.458 1.00 0.00 O ATOM 1565 CB ASP A 100 12.394 15.220 4.827 1.00 0.00 C ATOM 1566 CG ASP A 100 13.434 16.207 4.335 1.00 0.00 C ATOM 1567 OD1 ASP A 100 13.107 17.020 3.445 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.575 16.168 4.840 1.00 0.00 O ATOM 0 H ASP A 100 10.759 12.988 4.959 1.00 0.00 H new ATOM 0 HA ASP A 100 12.447 14.280 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.422 15.712 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.642 14.912 5.843 1.00 0.00 H new ATOM 1573 N GLY A 101 13.452 12.652 5.599 1.00 0.00 N ATOM 1574 CA GLY A 101 14.447 11.705 6.068 1.00 0.00 C ATOM 1575 C GLY A 101 14.733 11.852 7.549 1.00 0.00 C ATOM 1576 O GLY A 101 15.878 12.062 7.950 1.00 0.00 O ATOM 0 H GLY A 101 12.841 13.027 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.102 10.691 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.371 11.845 5.507 1.00 0.00 H new ATOM 1580 N THR A 102 13.690 11.742 8.366 1.00 0.00 N ATOM 1581 CA THR A 102 13.834 11.867 9.811 1.00 0.00 C ATOM 1582 C THR A 102 13.067 10.768 10.537 1.00 0.00 C ATOM 1583 O THR A 102 13.528 10.237 11.548 1.00 0.00 O ATOM 1584 CB THR A 102 13.339 13.238 10.309 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.275 13.245 11.739 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.969 13.560 9.733 1.00 0.00 C ATOM 0 H THR A 102 12.736 11.566 8.051 1.00 0.00 H new ATOM 0 HA THR A 102 14.897 11.771 10.032 1.00 0.00 H new ATOM 0 HB THR A 102 14.044 13.999 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.961 14.120 12.048 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.640 14.533 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.028 13.582 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.256 12.796 10.042 1.00 0.00 H new ATOM 1594 N THR A 103 11.892 10.429 10.015 1.00 0.00 N ATOM 1595 CA THR A 103 11.060 9.393 10.614 1.00 0.00 C ATOM 1596 C THR A 103 11.816 8.074 10.720 1.00 0.00 C ATOM 1597 O THR A 103 12.645 7.752 9.869 1.00 0.00 O ATOM 1598 CB THR A 103 9.771 9.168 9.801 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.779 8.537 10.619 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.046 8.310 8.576 1.00 0.00 C ATOM 0 H THR A 103 11.495 10.857 9.178 1.00 0.00 H new ATOM 0 HA THR A 103 10.795 9.739 11.613 1.00 0.00 H new ATOM 0 HB THR A 103 9.404 10.139 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.031 8.244 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.121 8.165 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.779 8.807 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.436 7.342 8.890 1.00 0.00 H new ATOM 1608 N ASP A 104 11.525 7.314 11.770 1.00 0.00 N ATOM 1609 CA ASP A 104 12.177 6.028 11.987 1.00 0.00 C ATOM 1610 C ASP A 104 11.196 4.879 11.777 1.00 0.00 C ATOM 1611 O ASP A 104 11.275 3.850 12.449 1.00 0.00 O ATOM 1612 CB ASP A 104 12.764 5.961 13.398 1.00 0.00 C ATOM 1613 CG ASP A 104 14.193 6.466 13.455 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.527 7.389 12.682 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.975 5.940 14.273 1.00 0.00 O ATOM 0 H ASP A 104 10.842 7.566 12.484 1.00 0.00 H new ATOM 0 HA ASP A 104 12.984 5.931 11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.146 6.552 14.074 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.731 4.931 13.754 1.00 0.00 H new ATOM 1620 N TYR A 105 10.271 5.062 10.841 1.00 0.00 N ATOM 1621 CA TYR A 105 9.272 4.042 10.544 1.00 0.00 C ATOM 1622 C TYR A 105 9.935 2.747 10.084 1.00 0.00 C ATOM 1623 O TYR A 105 9.778 1.700 10.712 1.00 0.00 O ATOM 1624 CB TYR A 105 8.305 4.543 9.469 1.00 0.00 C ATOM 1625 CG TYR A 105 7.497 5.747 9.896 1.00 0.00 C ATOM 1626 CD1 TYR A 105 6.934 5.816 11.165 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.294 6.815 9.031 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.194 6.914 11.559 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.557 7.917 9.417 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.008 7.962 10.682 1.00 0.00 C ATOM 1631 OH TYR A 105 5.272 9.058 11.070 1.00 0.00 O ATOM 0 H TYR A 105 10.192 5.907 10.275 1.00 0.00 H new ATOM 0 HA TYR A 105 8.715 3.838 11.458 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.871 4.795 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.624 3.736 9.200 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.078 4.997 11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.720 6.783 8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.763 6.952 12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.411 8.739 8.732 1.00 0.00 H new ATOM 0 HH TYR A 105 5.238 9.706 10.336 1.00 0.00 H new ATOM 1641 N GLN A 106 10.677 2.828 8.984 1.00 0.00 N ATOM 1642 CA GLN A 106 11.364 1.663 8.439 1.00 0.00 C ATOM 1643 C GLN A 106 12.851 1.702 8.775 1.00 0.00 C ATOM 1644 O GLN A 106 13.500 0.662 8.882 1.00 0.00 O ATOM 1645 CB GLN A 106 11.173 1.595 6.923 1.00 0.00 C ATOM 1646 CG GLN A 106 11.949 2.660 6.164 1.00 0.00 C ATOM 1647 CD GLN A 106 13.370 2.235 5.850 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.324 2.959 6.132 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.518 1.053 5.262 1.00 0.00 N ATOM 0 H GLN A 106 10.818 3.688 8.453 1.00 0.00 H new ATOM 0 HA GLN A 106 10.931 0.772 8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.482 0.611 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.112 1.697 6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.429 2.890 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.970 3.577 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.699 0.485 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.451 0.714 5.027 1.00 0.00 H new ATOM 1658 N SER A 107 13.384 2.908 8.941 1.00 0.00 N ATOM 1659 CA SER A 107 14.796 3.082 9.261 1.00 0.00 C ATOM 1660 C SER A 107 15.216 2.147 10.391 1.00 0.00 C ATOM 1661 O SER A 107 14.474 1.940 11.350 1.00 0.00 O ATOM 1662 CB SER A 107 15.076 4.534 9.655 1.00 0.00 C ATOM 1663 OG SER A 107 14.922 4.722 11.051 1.00 0.00 O ATOM 0 H SER A 107 12.860 3.779 8.859 1.00 0.00 H new ATOM 0 HA SER A 107 15.378 2.835 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 107 16.089 4.806 9.358 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.397 5.197 9.118 1.00 0.00 H new ATOM 0 HG SER A 107 15.524 5.434 11.354 1.00 0.00 H new ATOM 1669 N GLY A 108 16.414 1.583 10.269 1.00 0.00 N ATOM 1670 CA GLY A 108 16.914 0.676 11.285 1.00 0.00 C ATOM 1671 C GLY A 108 18.064 1.268 12.076 1.00 0.00 C ATOM 1672 O GLY A 108 18.498 2.394 11.833 1.00 0.00 O ATOM 0 H GLY A 108 17.047 1.738 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.104 0.417 11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.241 -0.250 10.812 1.00 0.00 H new ATOM 1676 N PRO A 109 18.576 0.499 13.049 1.00 0.00 N ATOM 1677 CA PRO A 109 19.689 0.934 13.898 1.00 0.00 C ATOM 1678 C PRO A 109 21.005 1.013 13.134 1.00 0.00 C ATOM 1679 O PRO A 109 21.734 0.026 13.028 1.00 0.00 O ATOM 1680 CB PRO A 109 19.760 -0.153 14.974 1.00 0.00 C ATOM 1681 CG PRO A 109 19.169 -1.361 14.331 1.00 0.00 C ATOM 1682 CD PRO A 109 18.108 -0.854 13.394 1.00 0.00 C ATOM 0 HA PRO A 109 19.531 1.937 14.295 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.788 -0.334 15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.202 0.135 15.865 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.928 -1.927 13.791 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.743 -2.031 15.077 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.017 -1.485 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.128 -0.831 13.871 1.00 0.00 H new ATOM 1690 N SER A 110 21.305 2.194 12.601 1.00 0.00 N ATOM 1691 CA SER A 110 22.533 2.401 11.843 1.00 0.00 C ATOM 1692 C SER A 110 23.061 3.819 12.040 1.00 0.00 C ATOM 1693 O SER A 110 22.378 4.795 11.734 1.00 0.00 O ATOM 1694 CB SER A 110 22.290 2.138 10.356 1.00 0.00 C ATOM 1695 OG SER A 110 23.481 1.725 9.709 1.00 0.00 O ATOM 0 H SER A 110 20.714 3.022 12.680 1.00 0.00 H new ATOM 0 HA SER A 110 23.281 1.699 12.212 1.00 0.00 H new ATOM 0 HB2 SER A 110 21.525 1.371 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 110 21.909 3.042 9.881 1.00 0.00 H new ATOM 0 HG SER A 110 23.298 1.562 8.760 1.00 0.00 H new ATOM 1701 N SER A 111 24.282 3.922 12.554 1.00 0.00 N ATOM 1702 CA SER A 111 24.902 5.220 12.797 1.00 0.00 C ATOM 1703 C SER A 111 25.831 5.601 11.648 1.00 0.00 C ATOM 1704 O SER A 111 25.688 6.664 11.046 1.00 0.00 O ATOM 1705 CB SER A 111 25.682 5.198 14.113 1.00 0.00 C ATOM 1706 OG SER A 111 26.316 6.443 14.351 1.00 0.00 O ATOM 0 H SER A 111 24.862 3.123 12.810 1.00 0.00 H new ATOM 0 HA SER A 111 24.111 5.967 12.865 1.00 0.00 H new ATOM 0 HB2 SER A 111 25.006 4.967 14.936 1.00 0.00 H new ATOM 0 HB3 SER A 111 26.430 4.405 14.083 1.00 0.00 H new ATOM 0 HG SER A 111 26.806 6.404 15.199 1.00 0.00 H new ATOM 1712 N GLY A 112 26.785 4.724 11.351 1.00 0.00 N ATOM 1713 CA GLY A 112 27.725 4.986 10.276 1.00 0.00 C ATOM 1714 C GLY A 112 28.935 4.075 10.329 1.00 0.00 C ATOM 1715 O GLY A 112 29.981 4.387 9.759 1.00 0.00 O ATOM 0 H GLY A 112 26.924 3.837 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 112 27.221 4.860 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 112 28.053 6.024 10.329 1.00 0.00 H new TER 1719 GLY A 112