USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.07) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot -52:sc= 0.87 USER MOD Single : A -4 SER OG : rot 80:sc= 0.187 USER MOD Single : A -5 SER OG : rot 6:sc= 0.599 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 88:sc= -1.23! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7) USER MOD Single : A 29 ASN : amide:sc= 0.85 K(o=0.85,f=-0.1) USER MOD Single : A 32 SER OG : rot 180:sc= -0.154 USER MOD Single : A 34 CYS SG : rot -96:sc= -1.75! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.87! C(o=-7.9!,f=-9.5!) USER MOD Single : A 44 HIS : no HD1:sc= 0.138 K(o=0.14,f=-0.66) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 53 GLN : amide:sc= 0.162 K(o=0.16,f=-0.9) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0.313 (180deg=0.313) USER MOD Single : A 77 SER OG : rot 40:sc= 0.401 USER MOD Single : A 78 MET CE :methyl -157:sc= -0.994 (180deg=-1.62) USER MOD Single : A 80 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.93) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 54:sc= 0.0234 USER MOD Single : A 89 HIS : no HD1:sc= -3.22! K(o=-3.2!,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 127:sc= 0.294 USER MOD Single : A 93 MET CE :methyl 153:sc= -0.267 (180deg=-1.15) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.9!) USER MOD Single : A 100 SER OG : rot 46:sc= 1.94 USER MOD Single : A 103 ASN : amide:sc= -0.737 K(o=-0.74,f=-0.026) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -53:sc= 0.0196 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 12.693 25.248 -11.848 1.00 0.00 N ATOM 2 CA GLY A -6 13.451 24.277 -11.081 1.00 0.00 C ATOM 3 C GLY A -6 12.812 22.902 -11.093 1.00 0.00 C ATOM 4 O GLY A -6 13.455 21.915 -11.448 1.00 0.00 O ATOM 0 H1 GLY A -6 13.171 26.171 -11.809 1.00 0.00 H new ATOM 0 H2 GLY A -6 12.627 24.934 -12.837 1.00 0.00 H new ATOM 0 H3 GLY A -6 11.737 25.336 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A -6 14.461 24.208 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A -6 13.542 24.623 -10.051 1.00 0.00 H new ATOM 8 N SER A -5 11.543 22.838 -10.702 1.00 0.00 N ATOM 9 CA SER A -5 10.819 21.573 -10.664 1.00 0.00 C ATOM 10 C SER A -5 11.688 20.467 -10.072 1.00 0.00 C ATOM 11 O SER A -5 11.702 19.341 -10.569 1.00 0.00 O ATOM 12 CB SER A -5 10.362 21.180 -12.070 1.00 0.00 C ATOM 13 OG SER A -5 11.471 20.922 -12.914 1.00 0.00 O ATOM 0 H SER A -5 10.996 23.647 -10.407 1.00 0.00 H new ATOM 0 HA SER A -5 9.943 21.703 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A -5 9.729 20.294 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A -5 9.756 21.980 -12.495 1.00 0.00 H new ATOM 0 HG SER A -5 12.297 20.958 -12.388 1.00 0.00 H new ATOM 19 N SER A -4 12.411 20.797 -9.007 1.00 0.00 N ATOM 20 CA SER A -4 13.285 19.834 -8.348 1.00 0.00 C ATOM 21 C SER A -4 13.490 20.200 -6.882 1.00 0.00 C ATOM 22 O SER A -4 13.855 21.330 -6.557 1.00 0.00 O ATOM 23 CB SER A -4 14.637 19.769 -9.063 1.00 0.00 C ATOM 24 OG SER A -4 14.498 19.235 -10.368 1.00 0.00 O ATOM 0 H SER A -4 12.409 21.724 -8.582 1.00 0.00 H new ATOM 0 HA SER A -4 12.808 18.855 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A -4 15.071 20.767 -9.119 1.00 0.00 H new ATOM 0 HB3 SER A -4 15.328 19.154 -8.486 1.00 0.00 H new ATOM 0 HG SER A -4 14.168 19.932 -10.973 1.00 0.00 H new ATOM 30 N GLY A -3 13.252 19.236 -5.998 1.00 0.00 N ATOM 31 CA GLY A -3 13.415 19.475 -4.576 1.00 0.00 C ATOM 32 C GLY A -3 14.872 19.562 -4.166 1.00 0.00 C ATOM 33 O GLY A -3 15.747 19.789 -5.002 1.00 0.00 O ATOM 0 H GLY A -3 12.949 18.293 -6.242 1.00 0.00 H new ATOM 0 HA2 GLY A -3 12.909 20.402 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A -3 12.931 18.673 -4.018 1.00 0.00 H new ATOM 37 N SER A -2 15.133 19.383 -2.875 1.00 0.00 N ATOM 38 CA SER A -2 16.494 19.447 -2.355 1.00 0.00 C ATOM 39 C SER A -2 16.951 18.079 -1.858 1.00 0.00 C ATOM 40 O SER A -2 17.578 17.967 -0.805 1.00 0.00 O ATOM 41 CB SER A -2 16.580 20.470 -1.220 1.00 0.00 C ATOM 42 OG SER A -2 17.903 20.568 -0.721 1.00 0.00 O ATOM 0 H SER A -2 14.421 19.193 -2.170 1.00 0.00 H new ATOM 0 HA SER A -2 17.153 19.757 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A -2 16.250 21.445 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A -2 15.905 20.182 -0.414 1.00 0.00 H new ATOM 0 HG SER A -2 18.234 19.674 -0.495 1.00 0.00 H new ATOM 48 N SER A -1 16.632 17.041 -2.625 1.00 0.00 N ATOM 49 CA SER A -1 17.006 15.679 -2.262 1.00 0.00 C ATOM 50 C SER A -1 17.787 15.012 -3.389 1.00 0.00 C ATOM 51 O SER A -1 17.514 15.237 -4.567 1.00 0.00 O ATOM 52 CB SER A -1 15.759 14.856 -1.933 1.00 0.00 C ATOM 53 OG SER A -1 16.086 13.491 -1.738 1.00 0.00 O ATOM 0 H SER A -1 16.116 17.117 -3.501 1.00 0.00 H new ATOM 0 HA SER A -1 17.644 15.726 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A -1 15.285 15.252 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A -1 15.035 14.948 -2.742 1.00 0.00 H new ATOM 0 HG SER A -1 15.273 12.987 -1.527 1.00 0.00 H new ATOM 59 N GLY A 0 18.763 14.188 -3.018 1.00 0.00 N ATOM 60 CA GLY A 0 19.570 13.500 -4.009 1.00 0.00 C ATOM 61 C GLY A 0 20.656 14.385 -4.588 1.00 0.00 C ATOM 62 O GLY A 0 20.795 15.544 -4.198 1.00 0.00 O ATOM 0 H GLY A 0 19.009 13.985 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.026 12.620 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 0 18.927 13.145 -4.814 1.00 0.00 H new ATOM 66 N MET A 1 21.428 13.837 -5.521 1.00 0.00 N ATOM 67 CA MET A 1 22.508 14.585 -6.154 1.00 0.00 C ATOM 68 C MET A 1 22.135 14.976 -7.581 1.00 0.00 C ATOM 69 O MET A 1 21.426 14.243 -8.270 1.00 0.00 O ATOM 70 CB MET A 1 23.795 13.759 -6.160 1.00 0.00 C ATOM 71 CG MET A 1 24.513 13.742 -4.820 1.00 0.00 C ATOM 72 SD MET A 1 25.140 15.365 -4.348 1.00 0.00 S ATOM 73 CE MET A 1 26.848 15.234 -4.872 1.00 0.00 C ATOM 0 H MET A 1 21.326 12.879 -5.855 1.00 0.00 H new ATOM 0 HA MET A 1 22.672 15.495 -5.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.558 12.735 -6.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.469 14.157 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.830 13.383 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.342 13.036 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.404 16.103 -4.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.288 14.329 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.892 15.190 -5.960 1.00 0.00 H new ATOM 83 N MET A 2 22.615 16.136 -8.017 1.00 0.00 N ATOM 84 CA MET A 2 22.332 16.622 -9.362 1.00 0.00 C ATOM 85 C MET A 2 23.388 16.136 -10.350 1.00 0.00 C ATOM 86 O MET A 2 23.833 16.887 -11.218 1.00 0.00 O ATOM 87 CB MET A 2 22.273 18.151 -9.373 1.00 0.00 C ATOM 88 CG MET A 2 23.591 18.813 -9.003 1.00 0.00 C ATOM 89 SD MET A 2 23.654 20.550 -9.482 1.00 0.00 S ATOM 90 CE MET A 2 24.351 20.423 -11.127 1.00 0.00 C ATOM 0 H MET A 2 23.201 16.756 -7.459 1.00 0.00 H new ATOM 0 HA MET A 2 21.364 16.225 -9.668 1.00 0.00 H new ATOM 0 HB2 MET A 2 21.973 18.488 -10.365 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.502 18.482 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 2 23.745 18.731 -7.927 1.00 0.00 H new ATOM 0 HG3 MET A 2 24.410 18.278 -9.484 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.452 21.419 -11.557 1.00 0.00 H new ATOM 0 HE2 MET A 2 25.332 19.951 -11.071 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.694 19.822 -11.755 1.00 0.00 H new ATOM 100 N LEU A 3 23.784 14.876 -10.212 1.00 0.00 N ATOM 101 CA LEU A 3 24.789 14.289 -11.092 1.00 0.00 C ATOM 102 C LEU A 3 24.140 13.368 -12.121 1.00 0.00 C ATOM 103 O LEU A 3 23.370 12.474 -11.771 1.00 0.00 O ATOM 104 CB LEU A 3 25.821 13.511 -10.274 1.00 0.00 C ATOM 105 CG LEU A 3 26.955 14.337 -9.666 1.00 0.00 C ATOM 106 CD1 LEU A 3 27.462 13.688 -8.388 1.00 0.00 C ATOM 107 CD2 LEU A 3 28.089 14.505 -10.667 1.00 0.00 C ATOM 0 H LEU A 3 23.425 14.241 -9.499 1.00 0.00 H new ATOM 0 HA LEU A 3 25.291 15.099 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 3 25.301 12.995 -9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 3 26.259 12.744 -10.913 1.00 0.00 H new ATOM 0 HG LEU A 3 26.566 15.325 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 3 28.269 14.290 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 3 26.648 13.620 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 3 27.833 12.688 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 3 28.887 15.095 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 3 28.476 13.525 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 3 27.717 15.015 -11.556 1.00 0.00 H new ATOM 119 N GLY A 4 24.458 13.591 -13.392 1.00 0.00 N ATOM 120 CA GLY A 4 23.899 12.772 -14.452 1.00 0.00 C ATOM 121 C GLY A 4 22.472 12.349 -14.166 1.00 0.00 C ATOM 122 O GLY A 4 21.521 13.094 -14.409 1.00 0.00 O ATOM 0 H GLY A 4 25.093 14.324 -13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.929 13.327 -15.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.518 11.885 -14.586 1.00 0.00 H new ATOM 126 N PRO A 5 22.306 11.127 -13.640 1.00 0.00 N ATOM 127 CA PRO A 5 20.987 10.579 -13.311 1.00 0.00 C ATOM 128 C PRO A 5 20.346 11.286 -12.121 1.00 0.00 C ATOM 129 O PRO A 5 20.796 11.140 -10.985 1.00 0.00 O ATOM 130 CB PRO A 5 21.285 9.118 -12.967 1.00 0.00 C ATOM 131 CG PRO A 5 22.707 9.116 -12.521 1.00 0.00 C ATOM 132 CD PRO A 5 23.394 10.186 -13.324 1.00 0.00 C ATOM 0 HA PRO A 5 20.279 10.702 -14.130 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.623 8.753 -12.181 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.140 8.470 -13.832 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.781 9.321 -11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.168 8.143 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.189 10.668 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.850 9.780 -14.227 1.00 0.00 H new ATOM 140 N GLU A 6 19.292 12.051 -12.391 1.00 0.00 N ATOM 141 CA GLU A 6 18.590 12.780 -11.341 1.00 0.00 C ATOM 142 C GLU A 6 18.151 11.838 -10.224 1.00 0.00 C ATOM 143 O GLU A 6 17.129 11.163 -10.333 1.00 0.00 O ATOM 144 CB GLU A 6 17.373 13.505 -11.919 1.00 0.00 C ATOM 145 CG GLU A 6 16.886 14.658 -11.058 1.00 0.00 C ATOM 146 CD GLU A 6 15.898 14.217 -9.996 1.00 0.00 C ATOM 147 OE1 GLU A 6 16.098 13.130 -9.415 1.00 0.00 O ATOM 148 OE2 GLU A 6 14.925 14.959 -9.746 1.00 0.00 O ATOM 0 H GLU A 6 18.906 12.182 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 6 19.278 13.515 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.623 13.883 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.561 12.789 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.741 15.134 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.418 15.409 -11.694 1.00 0.00 H new ATOM 155 N GLY A 7 18.934 11.797 -9.150 1.00 0.00 N ATOM 156 CA GLY A 7 18.610 10.935 -8.028 1.00 0.00 C ATOM 157 C GLY A 7 17.683 11.602 -7.032 1.00 0.00 C ATOM 158 O GLY A 7 17.246 12.733 -7.241 1.00 0.00 O ATOM 0 H GLY A 7 19.787 12.345 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.144 10.022 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.530 10.641 -7.523 1.00 0.00 H new ATOM 162 N GLY A 8 17.379 10.898 -5.945 1.00 0.00 N ATOM 163 CA GLY A 8 16.498 11.445 -4.930 1.00 0.00 C ATOM 164 C GLY A 8 15.284 10.571 -4.685 1.00 0.00 C ATOM 165 O GLY A 8 14.160 11.066 -4.609 1.00 0.00 O ATOM 0 H GLY A 8 17.727 9.959 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.051 11.563 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.171 12.439 -5.234 1.00 0.00 H new ATOM 169 N GLU A 9 15.511 9.266 -4.562 1.00 0.00 N ATOM 170 CA GLU A 9 14.426 8.322 -4.326 1.00 0.00 C ATOM 171 C GLU A 9 14.897 7.156 -3.462 1.00 0.00 C ATOM 172 O GLU A 9 16.068 7.078 -3.091 1.00 0.00 O ATOM 173 CB GLU A 9 13.878 7.797 -5.655 1.00 0.00 C ATOM 174 CG GLU A 9 14.902 7.028 -6.473 1.00 0.00 C ATOM 175 CD GLU A 9 15.033 5.583 -6.033 1.00 0.00 C ATOM 176 OE1 GLU A 9 14.026 4.848 -6.100 1.00 0.00 O ATOM 177 OE2 GLU A 9 16.144 5.187 -5.622 1.00 0.00 O ATOM 0 H GLU A 9 16.436 8.840 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 9 13.632 8.847 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.024 7.150 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.511 8.637 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.619 7.059 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.872 7.519 -6.389 1.00 0.00 H new ATOM 184 N GLY A 10 13.976 6.251 -3.145 1.00 0.00 N ATOM 185 CA GLY A 10 14.316 5.101 -2.327 1.00 0.00 C ATOM 186 C GLY A 10 13.642 3.830 -2.804 1.00 0.00 C ATOM 187 O GLY A 10 12.740 3.874 -3.641 1.00 0.00 O ATOM 0 H GLY A 10 13.001 6.294 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.397 4.960 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.028 5.296 -1.294 1.00 0.00 H new ATOM 191 N TYR A 11 14.080 2.695 -2.273 1.00 0.00 N ATOM 192 CA TYR A 11 13.516 1.405 -2.653 1.00 0.00 C ATOM 193 C TYR A 11 12.096 1.252 -2.116 1.00 0.00 C ATOM 194 O TYR A 11 11.894 0.894 -0.955 1.00 0.00 O ATOM 195 CB TYR A 11 14.395 0.267 -2.132 1.00 0.00 C ATOM 196 CG TYR A 11 15.851 0.402 -2.516 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.229 0.542 -3.846 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.849 0.390 -1.549 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.559 0.665 -4.201 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.181 0.515 -1.895 1.00 0.00 C ATOM 201 CZ TYR A 11 18.530 0.652 -3.222 1.00 0.00 C ATOM 202 OH TYR A 11 19.856 0.774 -3.571 1.00 0.00 O ATOM 0 H TYR A 11 14.824 2.641 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 11 13.481 1.359 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.317 0.227 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 11 14.013 -0.680 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.471 0.555 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.579 0.281 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.836 0.771 -5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.944 0.505 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 11 20.411 0.747 -2.763 1.00 0.00 H new ATOM 212 N VAL A 12 11.115 1.526 -2.970 1.00 0.00 N ATOM 213 CA VAL A 12 9.713 1.418 -2.584 1.00 0.00 C ATOM 214 C VAL A 12 8.922 0.610 -3.607 1.00 0.00 C ATOM 215 O VAL A 12 9.300 0.527 -4.775 1.00 0.00 O ATOM 216 CB VAL A 12 9.065 2.806 -2.430 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.602 2.672 -2.033 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.827 3.640 -1.411 1.00 0.00 C ATOM 0 H VAL A 12 11.265 1.824 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 12 9.688 0.905 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 12 9.111 3.317 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.161 3.663 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.066 2.115 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.530 2.141 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.355 4.618 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.815 3.135 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.858 3.766 -1.742 1.00 0.00 H new ATOM 228 N VAL A 13 7.820 0.016 -3.159 1.00 0.00 N ATOM 229 CA VAL A 13 6.974 -0.784 -4.036 1.00 0.00 C ATOM 230 C VAL A 13 5.497 -0.549 -3.739 1.00 0.00 C ATOM 231 O VAL A 13 5.110 -0.330 -2.591 1.00 0.00 O ATOM 232 CB VAL A 13 7.281 -2.287 -3.895 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.659 -2.605 -4.454 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.176 -2.717 -2.439 1.00 0.00 C ATOM 0 H VAL A 13 7.493 0.074 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 13 7.191 -0.470 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 13 6.543 -2.847 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.858 -3.671 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.695 -2.334 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.413 -2.038 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.396 -3.781 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.890 -2.152 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.166 -2.526 -2.075 1.00 0.00 H new ATOM 244 N LYS A 14 4.675 -0.595 -4.782 1.00 0.00 N ATOM 245 CA LYS A 14 3.239 -0.389 -4.634 1.00 0.00 C ATOM 246 C LYS A 14 2.473 -1.680 -4.906 1.00 0.00 C ATOM 247 O LYS A 14 2.705 -2.351 -5.912 1.00 0.00 O ATOM 248 CB LYS A 14 2.760 0.711 -5.585 1.00 0.00 C ATOM 249 CG LYS A 14 1.263 0.687 -5.838 1.00 0.00 C ATOM 250 CD LYS A 14 0.876 1.606 -6.985 1.00 0.00 C ATOM 251 CE LYS A 14 0.710 3.043 -6.516 1.00 0.00 C ATOM 252 NZ LYS A 14 0.284 3.942 -7.624 1.00 0.00 N ATOM 0 H LYS A 14 4.979 -0.773 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 14 3.045 -0.082 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.035 1.682 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.282 0.610 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.948 -0.332 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.735 0.990 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.639 1.562 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.055 1.258 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.027 3.080 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.652 3.400 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.182 4.912 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.000 3.926 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.627 3.616 -8.004 1.00 0.00 H new ATOM 266 N LEU A 15 1.559 -2.021 -4.005 1.00 0.00 N ATOM 267 CA LEU A 15 0.757 -3.231 -4.149 1.00 0.00 C ATOM 268 C LEU A 15 -0.698 -2.887 -4.452 1.00 0.00 C ATOM 269 O LEU A 15 -1.330 -2.121 -3.724 1.00 0.00 O ATOM 270 CB LEU A 15 0.839 -4.075 -2.876 1.00 0.00 C ATOM 271 CG LEU A 15 2.235 -4.556 -2.478 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.236 -5.064 -1.045 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.717 -5.640 -3.430 1.00 0.00 C ATOM 0 H LEU A 15 1.355 -1.477 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 15 1.157 -3.805 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.428 -3.493 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.198 -4.948 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 15 2.921 -3.712 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.238 -5.402 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.935 -4.260 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.536 -5.895 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.712 -5.970 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.029 -6.485 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.756 -5.243 -4.444 1.00 0.00 H new ATOM 285 N ARG A 16 -1.224 -3.461 -5.529 1.00 0.00 N ATOM 286 CA ARG A 16 -2.605 -3.216 -5.927 1.00 0.00 C ATOM 287 C ARG A 16 -3.412 -4.512 -5.918 1.00 0.00 C ATOM 288 O ARG A 16 -2.874 -5.591 -6.165 1.00 0.00 O ATOM 289 CB ARG A 16 -2.652 -2.583 -7.319 1.00 0.00 C ATOM 290 CG ARG A 16 -4.035 -2.096 -7.720 1.00 0.00 C ATOM 291 CD ARG A 16 -3.955 -0.971 -8.740 1.00 0.00 C ATOM 292 NE ARG A 16 -5.159 -0.891 -9.562 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.397 -1.689 -10.598 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.517 -2.621 -10.936 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.516 -1.554 -11.297 1.00 0.00 N ATOM 0 H ARG A 16 -0.715 -4.099 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.048 -2.528 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.957 -1.744 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.306 -3.312 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.608 -2.925 -8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.571 -1.750 -6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.805 -0.023 -8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.087 -1.125 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.856 -0.184 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.655 -2.727 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.702 -3.232 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.195 -0.837 -11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.698 -2.167 -12.092 1.00 0.00 H new ATOM 309 N GLY A 17 -4.705 -4.396 -5.632 1.00 0.00 N ATOM 310 CA GLY A 17 -5.564 -5.566 -5.595 1.00 0.00 C ATOM 311 C GLY A 17 -5.713 -6.132 -4.197 1.00 0.00 C ATOM 312 O GLY A 17 -6.351 -7.168 -4.004 1.00 0.00 O ATOM 0 H GLY A 17 -5.173 -3.514 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.548 -5.303 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.156 -6.333 -6.253 1.00 0.00 H new ATOM 316 N LEU A 18 -5.122 -5.454 -3.220 1.00 0.00 N ATOM 317 CA LEU A 18 -5.191 -5.897 -1.832 1.00 0.00 C ATOM 318 C LEU A 18 -6.628 -5.872 -1.322 1.00 0.00 C ATOM 319 O LEU A 18 -7.446 -5.050 -1.738 1.00 0.00 O ATOM 320 CB LEU A 18 -4.310 -5.011 -0.949 1.00 0.00 C ATOM 321 CG LEU A 18 -2.813 -5.030 -1.261 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.124 -3.822 -0.646 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.180 -6.320 -0.758 1.00 0.00 C ATOM 0 H LEU A 18 -4.590 -4.596 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.827 -6.923 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.665 -3.984 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.448 -5.314 0.089 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.686 -4.983 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.060 -3.853 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.558 -2.909 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.260 -3.837 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.115 -6.317 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.318 -6.396 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.654 -7.172 -1.245 1.00 0.00 H new ATOM 335 N PRO A 19 -6.945 -6.792 -0.399 1.00 0.00 N ATOM 336 CA PRO A 19 -8.284 -6.894 0.189 1.00 0.00 C ATOM 337 C PRO A 19 -8.606 -5.720 1.107 1.00 0.00 C ATOM 338 O PRO A 19 -7.711 -5.133 1.716 1.00 0.00 O ATOM 339 CB PRO A 19 -8.221 -8.197 0.990 1.00 0.00 C ATOM 340 CG PRO A 19 -6.777 -8.376 1.309 1.00 0.00 C ATOM 341 CD PRO A 19 -6.021 -7.802 0.142 1.00 0.00 C ATOM 0 HA PRO A 19 -9.065 -6.882 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.822 -8.133 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.606 -9.037 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.515 -7.863 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.536 -9.430 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.077 -7.356 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.783 -8.566 -0.598 1.00 0.00 H new ATOM 349 N TRP A 20 -9.887 -5.382 1.201 1.00 0.00 N ATOM 350 CA TRP A 20 -10.325 -4.277 2.046 1.00 0.00 C ATOM 351 C TRP A 20 -9.991 -4.544 3.509 1.00 0.00 C ATOM 352 O TRP A 20 -10.128 -3.663 4.358 1.00 0.00 O ATOM 353 CB TRP A 20 -11.830 -4.052 1.886 1.00 0.00 C ATOM 354 CG TRP A 20 -12.189 -3.294 0.644 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.438 -3.177 -0.490 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.388 -2.546 0.413 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.098 -2.401 -1.413 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.296 -2.002 -0.883 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.530 -2.284 1.174 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.304 -1.213 -1.432 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.529 -1.500 0.629 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.411 -0.973 -0.664 1.00 0.00 C ATOM 0 H TRP A 20 -10.640 -5.857 0.703 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.794 -3.379 1.731 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.335 -5.018 1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.203 -3.510 2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.468 -3.628 -0.640 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.752 -2.161 -2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.630 -2.687 2.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.215 -0.805 -2.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.415 -1.290 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.210 -0.365 -1.063 1.00 0.00 H new ATOM 373 N SER A 21 -9.552 -5.765 3.798 1.00 0.00 N ATOM 374 CA SER A 21 -9.202 -6.149 5.161 1.00 0.00 C ATOM 375 C SER A 21 -7.708 -6.438 5.276 1.00 0.00 C ATOM 376 O SER A 21 -7.251 -7.008 6.267 1.00 0.00 O ATOM 377 CB SER A 21 -10.006 -7.378 5.589 1.00 0.00 C ATOM 378 OG SER A 21 -11.323 -7.019 5.970 1.00 0.00 O ATOM 0 H SER A 21 -9.430 -6.505 3.107 1.00 0.00 H new ATOM 0 HA SER A 21 -9.445 -5.317 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.044 -8.095 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.505 -7.872 6.422 1.00 0.00 H new ATOM 0 HG SER A 21 -11.817 -7.822 6.237 1.00 0.00 H new ATOM 384 N CYS A 22 -6.955 -6.040 4.257 1.00 0.00 N ATOM 385 CA CYS A 22 -5.512 -6.257 4.243 1.00 0.00 C ATOM 386 C CYS A 22 -4.855 -5.618 5.462 1.00 0.00 C ATOM 387 O CYS A 22 -5.142 -4.472 5.806 1.00 0.00 O ATOM 388 CB CYS A 22 -4.903 -5.686 2.962 1.00 0.00 C ATOM 389 SG CYS A 22 -3.180 -6.160 2.689 1.00 0.00 S ATOM 0 H CYS A 22 -7.319 -5.566 3.430 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.330 -7.331 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.499 -6.016 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.969 -4.598 2.995 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.137 -7.292 2.052 1.00 0.00 H new ATOM 395 N SER A 23 -3.971 -6.369 6.113 1.00 0.00 N ATOM 396 CA SER A 23 -3.277 -5.878 7.297 1.00 0.00 C ATOM 397 C SER A 23 -1.765 -5.922 7.097 1.00 0.00 C ATOM 398 O SER A 23 -1.243 -6.810 6.422 1.00 0.00 O ATOM 399 CB SER A 23 -3.665 -6.708 8.522 1.00 0.00 C ATOM 400 OG SER A 23 -4.979 -6.399 8.952 1.00 0.00 O ATOM 0 H SER A 23 -3.719 -7.319 5.840 1.00 0.00 H new ATOM 0 HA SER A 23 -3.575 -4.842 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.598 -7.769 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.960 -6.519 9.332 1.00 0.00 H new ATOM 0 HG SER A 23 -5.204 -6.944 9.735 1.00 0.00 H new ATOM 406 N ILE A 24 -1.068 -4.958 7.689 1.00 0.00 N ATOM 407 CA ILE A 24 0.384 -4.886 7.577 1.00 0.00 C ATOM 408 C ILE A 24 1.000 -6.280 7.524 1.00 0.00 C ATOM 409 O ILE A 24 1.857 -6.558 6.686 1.00 0.00 O ATOM 410 CB ILE A 24 1.001 -4.109 8.754 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.614 -2.631 8.677 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.514 -4.266 8.757 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.052 -1.827 9.881 1.00 0.00 C ATOM 0 H ILE A 24 -1.485 -4.216 8.251 1.00 0.00 H new ATOM 0 HA ILE A 24 0.604 -4.358 6.649 1.00 0.00 H new ATOM 0 HB ILE A 24 0.611 -4.519 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.054 -2.195 7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.468 -2.552 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.936 -3.711 9.595 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.770 -5.321 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.922 -3.879 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.744 -0.789 9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.591 -2.237 10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.137 -1.875 9.975 1.00 0.00 H new ATOM 425 N GLU A 25 0.556 -7.152 8.424 1.00 0.00 N ATOM 426 CA GLU A 25 1.064 -8.518 8.478 1.00 0.00 C ATOM 427 C GLU A 25 0.966 -9.190 7.111 1.00 0.00 C ATOM 428 O GLU A 25 1.947 -9.734 6.603 1.00 0.00 O ATOM 429 CB GLU A 25 0.290 -9.333 9.516 1.00 0.00 C ATOM 430 CG GLU A 25 0.898 -9.282 10.907 1.00 0.00 C ATOM 431 CD GLU A 25 2.408 -9.421 10.889 1.00 0.00 C ATOM 432 OE1 GLU A 25 2.903 -10.446 10.375 1.00 0.00 O ATOM 433 OE2 GLU A 25 3.094 -8.506 11.389 1.00 0.00 O ATOM 0 H GLU A 25 -0.153 -6.937 9.125 1.00 0.00 H new ATOM 0 HA GLU A 25 2.114 -8.476 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.735 -8.966 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.242 -10.371 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.629 -8.339 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.471 -10.079 11.516 1.00 0.00 H new ATOM 440 N ASP A 26 -0.224 -9.148 6.522 1.00 0.00 N ATOM 441 CA ASP A 26 -0.451 -9.751 5.214 1.00 0.00 C ATOM 442 C ASP A 26 0.571 -9.250 4.199 1.00 0.00 C ATOM 443 O ASP A 26 1.004 -9.994 3.319 1.00 0.00 O ATOM 444 CB ASP A 26 -1.867 -9.442 4.726 1.00 0.00 C ATOM 445 CG ASP A 26 -2.892 -10.421 5.264 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.779 -11.626 4.957 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.807 -9.982 5.992 1.00 0.00 O ATOM 0 H ASP A 26 -1.046 -8.703 6.930 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.337 -10.830 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.140 -8.431 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.885 -9.464 3.636 1.00 0.00 H new ATOM 452 N VAL A 27 0.952 -7.983 4.327 1.00 0.00 N ATOM 453 CA VAL A 27 1.924 -7.382 3.421 1.00 0.00 C ATOM 454 C VAL A 27 3.334 -7.875 3.721 1.00 0.00 C ATOM 455 O VAL A 27 4.031 -8.369 2.835 1.00 0.00 O ATOM 456 CB VAL A 27 1.899 -5.844 3.512 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.796 -5.232 2.447 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.475 -5.326 3.385 1.00 0.00 C ATOM 0 H VAL A 27 0.603 -7.353 5.049 1.00 0.00 H new ATOM 0 HA VAL A 27 1.645 -7.684 2.412 1.00 0.00 H new ATOM 0 HB VAL A 27 2.282 -5.548 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.766 -4.145 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.820 -5.578 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.446 -5.533 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.476 -4.238 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.062 -5.630 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.135 -5.738 4.189 1.00 0.00 H new ATOM 468 N GLN A 28 3.748 -7.739 4.977 1.00 0.00 N ATOM 469 CA GLN A 28 5.077 -8.171 5.394 1.00 0.00 C ATOM 470 C GLN A 28 5.343 -9.609 4.959 1.00 0.00 C ATOM 471 O GLN A 28 6.414 -9.923 4.443 1.00 0.00 O ATOM 472 CB GLN A 28 5.223 -8.050 6.912 1.00 0.00 C ATOM 473 CG GLN A 28 5.359 -6.616 7.397 1.00 0.00 C ATOM 474 CD GLN A 28 5.573 -6.524 8.895 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.670 -6.809 9.681 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.774 -6.126 9.298 1.00 0.00 N ATOM 0 H GLN A 28 3.183 -7.333 5.723 1.00 0.00 H new ATOM 0 HA GLN A 28 5.810 -7.523 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.356 -8.506 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.097 -8.617 7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.196 -6.141 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.462 -6.059 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.493 -5.900 8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.977 -6.047 10.294 1.00 0.00 H new ATOM 485 N ASN A 29 4.360 -10.478 5.172 1.00 0.00 N ATOM 486 CA ASN A 29 4.488 -11.883 4.803 1.00 0.00 C ATOM 487 C ASN A 29 4.493 -12.048 3.286 1.00 0.00 C ATOM 488 O ASN A 29 5.175 -12.921 2.748 1.00 0.00 O ATOM 489 CB ASN A 29 3.346 -12.698 5.413 1.00 0.00 C ATOM 490 CG ASN A 29 3.482 -12.850 6.915 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.309 -13.623 7.400 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.669 -12.111 7.661 1.00 0.00 N ATOM 0 H ASN A 29 3.466 -10.234 5.598 1.00 0.00 H new ATOM 0 HA ASN A 29 5.437 -12.251 5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.396 -12.215 5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.321 -13.685 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.715 -12.171 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.999 -11.484 7.217 1.00 0.00 H new ATOM 499 N PHE A 30 3.728 -11.205 2.602 1.00 0.00 N ATOM 500 CA PHE A 30 3.643 -11.257 1.147 1.00 0.00 C ATOM 501 C PHE A 30 4.999 -10.959 0.512 1.00 0.00 C ATOM 502 O PHE A 30 5.427 -11.646 -0.416 1.00 0.00 O ATOM 503 CB PHE A 30 2.599 -10.260 0.639 1.00 0.00 C ATOM 504 CG PHE A 30 2.501 -10.206 -0.858 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.490 -9.590 -1.608 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.421 -10.771 -1.516 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.402 -9.537 -2.987 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.328 -10.722 -2.895 1.00 0.00 C ATOM 509 CZ PHE A 30 2.320 -10.105 -3.631 1.00 0.00 C ATOM 0 H PHE A 30 3.157 -10.477 3.032 1.00 0.00 H new ATOM 0 HA PHE A 30 3.341 -12.265 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.625 -10.525 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.844 -9.267 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.339 -9.146 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.642 -11.255 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.178 -9.052 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.480 -11.166 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.250 -10.067 -4.708 1.00 0.00 H new ATOM 519 N LEU A 31 5.668 -9.929 1.018 1.00 0.00 N ATOM 520 CA LEU A 31 6.975 -9.538 0.502 1.00 0.00 C ATOM 521 C LEU A 31 8.096 -10.121 1.357 1.00 0.00 C ATOM 522 O LEU A 31 9.103 -9.461 1.612 1.00 0.00 O ATOM 523 CB LEU A 31 7.093 -8.014 0.457 1.00 0.00 C ATOM 524 CG LEU A 31 6.125 -7.293 -0.482 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.295 -5.786 -0.370 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.335 -7.750 -1.918 1.00 0.00 C ATOM 0 H LEU A 31 5.327 -9.350 1.785 1.00 0.00 H new ATOM 0 HA LEU A 31 7.071 -9.934 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.944 -7.628 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.111 -7.757 0.164 1.00 0.00 H new ATOM 0 HG LEU A 31 5.107 -7.546 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.598 -5.290 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.093 -5.472 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.316 -5.514 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.638 -7.227 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.357 -7.528 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.161 -8.824 -1.987 1.00 0.00 H new ATOM 538 N SER A 32 7.913 -11.362 1.796 1.00 0.00 N ATOM 539 CA SER A 32 8.908 -12.034 2.624 1.00 0.00 C ATOM 540 C SER A 32 10.285 -11.983 1.968 1.00 0.00 C ATOM 541 O SER A 32 11.256 -11.529 2.573 1.00 0.00 O ATOM 542 CB SER A 32 8.501 -13.488 2.869 1.00 0.00 C ATOM 543 OG SER A 32 8.365 -14.193 1.647 1.00 0.00 O ATOM 0 H SER A 32 7.085 -11.922 1.592 1.00 0.00 H new ATOM 0 HA SER A 32 8.961 -11.513 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.248 -13.978 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.559 -13.518 3.416 1.00 0.00 H new ATOM 0 HG SER A 32 8.106 -15.120 1.831 1.00 0.00 H new ATOM 549 N ASP A 33 10.360 -12.452 0.728 1.00 0.00 N ATOM 550 CA ASP A 33 11.616 -12.460 -0.012 1.00 0.00 C ATOM 551 C ASP A 33 12.295 -11.095 0.055 1.00 0.00 C ATOM 552 O ASP A 33 13.499 -10.977 -0.177 1.00 0.00 O ATOM 553 CB ASP A 33 11.372 -12.850 -1.471 1.00 0.00 C ATOM 554 CG ASP A 33 11.040 -14.321 -1.628 1.00 0.00 C ATOM 555 OD1 ASP A 33 11.739 -15.155 -1.016 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.082 -14.639 -2.364 1.00 0.00 O ATOM 0 H ASP A 33 9.565 -12.832 0.214 1.00 0.00 H new ATOM 0 HA ASP A 33 12.274 -13.197 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.555 -12.251 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.259 -12.615 -2.060 1.00 0.00 H new ATOM 561 N CYS A 34 11.515 -10.068 0.372 1.00 0.00 N ATOM 562 CA CYS A 34 12.040 -8.710 0.468 1.00 0.00 C ATOM 563 C CYS A 34 12.268 -8.317 1.924 1.00 0.00 C ATOM 564 O CYS A 34 11.674 -8.893 2.835 1.00 0.00 O ATOM 565 CB CYS A 34 11.080 -7.722 -0.196 1.00 0.00 C ATOM 566 SG CYS A 34 10.880 -7.969 -1.976 1.00 0.00 S ATOM 0 H CYS A 34 10.517 -10.149 0.567 1.00 0.00 H new ATOM 0 HA CYS A 34 12.998 -8.679 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.104 -7.803 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.439 -6.708 -0.019 1.00 0.00 H new ATOM 0 HG CYS A 34 11.682 -7.172 -2.618 1.00 0.00 H new ATOM 572 N THR A 35 13.135 -7.332 2.136 1.00 0.00 N ATOM 573 CA THR A 35 13.445 -6.863 3.481 1.00 0.00 C ATOM 574 C THR A 35 12.853 -5.481 3.731 1.00 0.00 C ATOM 575 O THR A 35 13.542 -4.468 3.609 1.00 0.00 O ATOM 576 CB THR A 35 14.965 -6.808 3.721 1.00 0.00 C ATOM 577 OG1 THR A 35 15.529 -8.118 3.590 1.00 0.00 O ATOM 578 CG2 THR A 35 15.276 -6.253 5.103 1.00 0.00 C ATOM 0 H THR A 35 13.635 -6.843 1.393 1.00 0.00 H new ATOM 0 HA THR A 35 13.001 -7.577 4.174 1.00 0.00 H new ATOM 0 HB THR A 35 15.404 -6.147 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.496 -8.075 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.356 -6.224 5.249 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.871 -5.245 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.824 -6.892 5.862 1.00 0.00 H new ATOM 586 N ILE A 36 11.572 -5.446 4.083 1.00 0.00 N ATOM 587 CA ILE A 36 10.888 -4.187 4.352 1.00 0.00 C ATOM 588 C ILE A 36 11.621 -3.380 5.419 1.00 0.00 C ATOM 589 O ILE A 36 11.925 -3.889 6.498 1.00 0.00 O ATOM 590 CB ILE A 36 9.436 -4.422 4.810 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.644 -5.143 3.717 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.773 -3.100 5.168 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.328 -5.711 4.200 1.00 0.00 C ATOM 0 H ILE A 36 10.987 -6.275 4.189 1.00 0.00 H new ATOM 0 HA ILE A 36 10.880 -3.626 3.417 1.00 0.00 H new ATOM 0 HB ILE A 36 9.448 -5.052 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.452 -4.448 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.253 -5.951 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.748 -3.283 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.327 -2.622 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.769 -2.447 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.821 -6.208 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.513 -6.431 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.701 -4.904 4.579 1.00 0.00 H new ATOM 605 N HIS A 37 11.902 -2.118 5.109 1.00 0.00 N ATOM 606 CA HIS A 37 12.597 -1.239 6.042 1.00 0.00 C ATOM 607 C HIS A 37 11.699 -0.879 7.222 1.00 0.00 C ATOM 608 O HIS A 37 10.577 -0.407 7.038 1.00 0.00 O ATOM 609 CB HIS A 37 13.059 0.033 5.330 1.00 0.00 C ATOM 610 CG HIS A 37 13.304 1.183 6.257 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.553 1.500 6.749 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.452 2.095 6.781 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.458 2.556 7.537 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.194 2.938 7.572 1.00 0.00 N ATOM 0 H HIS A 37 11.659 -1.682 4.220 1.00 0.00 H new ATOM 0 HA HIS A 37 13.469 -1.771 6.422 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.975 -0.181 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.307 0.322 4.596 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.387 2.150 6.609 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.275 3.027 8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.828 3.730 8.100 1.00 0.00 H new ATOM 623 N ASP A 38 12.200 -1.104 8.431 1.00 0.00 N ATOM 624 CA ASP A 38 11.443 -0.802 9.641 1.00 0.00 C ATOM 625 C ASP A 38 10.193 -1.671 9.730 1.00 0.00 C ATOM 626 O ASP A 38 9.211 -1.301 10.372 1.00 0.00 O ATOM 627 CB ASP A 38 11.055 0.677 9.670 1.00 0.00 C ATOM 628 CG ASP A 38 12.263 1.593 9.667 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.394 1.084 9.520 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.077 2.819 9.812 1.00 0.00 O ATOM 0 H ASP A 38 13.127 -1.494 8.600 1.00 0.00 H new ATOM 0 HA ASP A 38 12.077 -1.019 10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.430 0.902 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.455 0.875 10.558 1.00 0.00 H new ATOM 635 N GLY A 39 10.236 -2.830 9.079 1.00 0.00 N ATOM 636 CA GLY A 39 9.100 -3.733 9.097 1.00 0.00 C ATOM 637 C GLY A 39 7.775 -2.998 9.087 1.00 0.00 C ATOM 638 O GLY A 39 7.548 -2.122 8.252 1.00 0.00 O ATOM 0 H GLY A 39 11.037 -3.159 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.152 -4.394 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.155 -4.364 9.984 1.00 0.00 H new ATOM 642 N VAL A 40 6.895 -3.355 10.017 1.00 0.00 N ATOM 643 CA VAL A 40 5.584 -2.724 10.113 1.00 0.00 C ATOM 644 C VAL A 40 5.689 -1.212 9.948 1.00 0.00 C ATOM 645 O VAL A 40 4.784 -0.571 9.415 1.00 0.00 O ATOM 646 CB VAL A 40 4.907 -3.036 11.460 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.650 -4.529 11.595 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.757 -2.527 12.614 1.00 0.00 C ATOM 0 H VAL A 40 7.066 -4.079 10.715 1.00 0.00 H new ATOM 0 HA VAL A 40 4.976 -3.134 9.306 1.00 0.00 H new ATOM 0 HB VAL A 40 3.947 -2.522 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.171 -4.731 12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.998 -4.861 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.596 -5.067 11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.263 -2.756 13.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.733 -3.011 12.588 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.885 -1.448 12.524 1.00 0.00 H new ATOM 658 N ALA A 41 6.801 -0.648 10.409 1.00 0.00 N ATOM 659 CA ALA A 41 7.026 0.789 10.311 1.00 0.00 C ATOM 660 C ALA A 41 7.545 1.170 8.928 1.00 0.00 C ATOM 661 O ALA A 41 8.171 2.215 8.756 1.00 0.00 O ATOM 662 CB ALA A 41 8.001 1.245 11.386 1.00 0.00 C ATOM 0 H ALA A 41 7.560 -1.164 10.854 1.00 0.00 H new ATOM 0 HA ALA A 41 6.072 1.293 10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.160 2.320 11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.591 1.015 12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.951 0.727 11.259 1.00 0.00 H new ATOM 668 N GLY A 42 7.281 0.314 7.945 1.00 0.00 N ATOM 669 CA GLY A 42 7.729 0.579 6.591 1.00 0.00 C ATOM 670 C GLY A 42 6.613 0.446 5.574 1.00 0.00 C ATOM 671 O GLY A 42 6.726 0.933 4.449 1.00 0.00 O ATOM 0 H GLY A 42 6.765 -0.558 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.145 1.585 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.533 -0.112 6.336 1.00 0.00 H new ATOM 675 N VAL A 43 5.531 -0.218 5.969 1.00 0.00 N ATOM 676 CA VAL A 43 4.389 -0.415 5.084 1.00 0.00 C ATOM 677 C VAL A 43 3.411 0.750 5.182 1.00 0.00 C ATOM 678 O VAL A 43 3.008 1.146 6.276 1.00 0.00 O ATOM 679 CB VAL A 43 3.646 -1.724 5.409 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.457 -1.909 4.478 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.594 -2.911 5.318 1.00 0.00 C ATOM 0 H VAL A 43 5.422 -0.629 6.896 1.00 0.00 H new ATOM 0 HA VAL A 43 4.781 -0.472 4.069 1.00 0.00 H new ATOM 0 HB VAL A 43 3.271 -1.664 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.944 -2.839 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.768 -1.073 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.806 -1.948 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.052 -3.828 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.000 -2.976 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.409 -2.781 6.030 1.00 0.00 H new ATOM 691 N HIS A 44 3.031 1.295 4.031 1.00 0.00 N ATOM 692 CA HIS A 44 2.097 2.415 3.986 1.00 0.00 C ATOM 693 C HIS A 44 0.866 2.064 3.156 1.00 0.00 C ATOM 694 O HIS A 44 0.961 1.850 1.947 1.00 0.00 O ATOM 695 CB HIS A 44 2.781 3.654 3.407 1.00 0.00 C ATOM 696 CG HIS A 44 4.031 4.043 4.134 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.056 4.992 5.134 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.305 3.603 4.003 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.291 5.121 5.585 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.068 4.289 4.916 1.00 0.00 N ATOM 0 H HIS A 44 3.355 0.980 3.117 1.00 0.00 H new ATOM 0 HA HIS A 44 1.776 2.629 5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.022 3.470 2.360 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.082 4.490 3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.656 2.853 3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.611 5.793 6.368 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.072 4.174 5.055 1.00 0.00 H new ATOM 709 N PHE A 45 -0.288 2.006 3.813 1.00 0.00 N ATOM 710 CA PHE A 45 -1.537 1.679 3.135 1.00 0.00 C ATOM 711 C PHE A 45 -2.188 2.933 2.560 1.00 0.00 C ATOM 712 O PHE A 45 -1.995 4.036 3.072 1.00 0.00 O ATOM 713 CB PHE A 45 -2.501 0.988 4.103 1.00 0.00 C ATOM 714 CG PHE A 45 -2.240 -0.483 4.261 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.787 -1.396 3.374 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.448 -0.952 5.296 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.549 -2.750 3.516 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.207 -2.305 5.443 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.759 -3.205 4.553 1.00 0.00 C ATOM 0 H PHE A 45 -0.384 2.181 4.813 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.309 1.000 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.430 1.468 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.522 1.132 3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.407 -1.045 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.014 -0.253 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.980 -3.451 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.587 -2.658 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.573 -4.263 4.668 1.00 0.00 H new ATOM 729 N ILE A 46 -2.959 2.755 1.492 1.00 0.00 N ATOM 730 CA ILE A 46 -3.639 3.871 0.847 1.00 0.00 C ATOM 731 C ILE A 46 -5.124 3.883 1.192 1.00 0.00 C ATOM 732 O ILE A 46 -5.818 2.879 1.032 1.00 0.00 O ATOM 733 CB ILE A 46 -3.479 3.819 -0.684 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.005 3.656 -1.059 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.057 5.075 -1.320 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.168 4.882 -0.769 1.00 0.00 C ATOM 0 H ILE A 46 -3.128 1.849 1.056 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.174 4.783 1.222 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.029 2.957 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.592 2.807 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.933 3.420 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.936 5.023 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.117 5.152 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.532 5.951 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.134 4.694 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.556 5.729 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.210 5.107 0.297 1.00 0.00 H new ATOM 748 N TYR A 47 -5.607 5.027 1.664 1.00 0.00 N ATOM 749 CA TYR A 47 -7.011 5.171 2.031 1.00 0.00 C ATOM 750 C TYR A 47 -7.690 6.240 1.182 1.00 0.00 C ATOM 751 O TYR A 47 -7.027 7.038 0.518 1.00 0.00 O ATOM 752 CB TYR A 47 -7.138 5.525 3.514 1.00 0.00 C ATOM 753 CG TYR A 47 -6.671 4.426 4.441 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.316 4.177 4.628 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.583 3.636 5.129 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.885 3.173 5.474 1.00 0.00 C ATOM 757 CE2 TYR A 47 -7.161 2.631 5.978 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.811 2.404 6.147 1.00 0.00 C ATOM 759 OH TYR A 47 -5.386 1.403 6.991 1.00 0.00 O ATOM 0 H TYR A 47 -5.047 5.868 1.801 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.507 4.218 1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.560 6.427 3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.180 5.757 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.588 4.778 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.641 3.810 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.829 2.992 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.884 2.027 6.506 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.164 0.957 7.387 1.00 0.00 H new ATOM 769 N THR A 48 -9.019 6.252 1.207 1.00 0.00 N ATOM 770 CA THR A 48 -9.790 7.221 0.440 1.00 0.00 C ATOM 771 C THR A 48 -10.047 8.486 1.252 1.00 0.00 C ATOM 772 O THR A 48 -9.568 8.620 2.378 1.00 0.00 O ATOM 773 CB THR A 48 -11.140 6.634 -0.013 1.00 0.00 C ATOM 774 OG1 THR A 48 -12.036 6.548 1.100 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.951 5.254 -0.626 1.00 0.00 C ATOM 0 H THR A 48 -9.584 5.600 1.751 1.00 0.00 H new ATOM 0 HA THR A 48 -9.197 7.470 -0.440 1.00 0.00 H new ATOM 0 HB THR A 48 -11.563 7.296 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.892 6.175 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.918 4.859 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.292 5.327 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.508 4.586 0.112 1.00 0.00 H new ATOM 783 N ARG A 49 -10.805 9.411 0.673 1.00 0.00 N ATOM 784 CA ARG A 49 -11.125 10.666 1.344 1.00 0.00 C ATOM 785 C ARG A 49 -12.182 10.452 2.424 1.00 0.00 C ATOM 786 O ARG A 49 -12.467 11.351 3.213 1.00 0.00 O ATOM 787 CB ARG A 49 -11.619 11.699 0.330 1.00 0.00 C ATOM 788 CG ARG A 49 -13.046 11.462 -0.136 1.00 0.00 C ATOM 789 CD ARG A 49 -14.055 12.024 0.854 1.00 0.00 C ATOM 790 NE ARG A 49 -15.325 12.356 0.212 1.00 0.00 N ATOM 791 CZ ARG A 49 -15.558 13.510 -0.402 1.00 0.00 C ATOM 792 NH1 ARG A 49 -14.613 14.439 -0.457 1.00 0.00 N ATOM 793 NH2 ARG A 49 -16.739 13.738 -0.963 1.00 0.00 N ATOM 0 H ARG A 49 -11.209 9.316 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.216 11.037 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.551 12.692 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.957 11.691 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.194 11.926 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.216 10.393 -0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.229 11.297 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.643 12.916 1.325 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.073 11.663 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.704 14.268 -0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.795 15.324 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.469 13.026 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.917 14.625 -1.434 1.00 0.00 H new ATOM 807 N GLU A 50 -12.758 9.254 2.451 1.00 0.00 N ATOM 808 CA GLU A 50 -13.784 8.923 3.433 1.00 0.00 C ATOM 809 C GLU A 50 -13.189 8.139 4.598 1.00 0.00 C ATOM 810 O GLU A 50 -13.623 8.279 5.741 1.00 0.00 O ATOM 811 CB GLU A 50 -14.906 8.113 2.778 1.00 0.00 C ATOM 812 CG GLU A 50 -15.608 8.848 1.649 1.00 0.00 C ATOM 813 CD GLU A 50 -16.773 8.063 1.078 1.00 0.00 C ATOM 814 OE1 GLU A 50 -16.541 7.229 0.177 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.916 8.282 1.531 1.00 0.00 O ATOM 0 H GLU A 50 -12.532 8.498 1.805 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.196 9.855 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.492 7.181 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.640 7.845 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.967 9.810 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.891 9.056 0.855 1.00 0.00 H new ATOM 822 N GLY A 51 -12.191 7.312 4.300 1.00 0.00 N ATOM 823 CA GLY A 51 -11.553 6.516 5.332 1.00 0.00 C ATOM 824 C GLY A 51 -11.572 5.034 5.017 1.00 0.00 C ATOM 825 O GLY A 51 -11.523 4.200 5.921 1.00 0.00 O ATOM 0 H GLY A 51 -11.813 7.179 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.521 6.845 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.057 6.688 6.283 1.00 0.00 H new ATOM 829 N ARG A 52 -11.646 4.705 3.731 1.00 0.00 N ATOM 830 CA ARG A 52 -11.675 3.312 3.300 1.00 0.00 C ATOM 831 C ARG A 52 -10.300 2.866 2.811 1.00 0.00 C ATOM 832 O ARG A 52 -9.325 3.612 2.906 1.00 0.00 O ATOM 833 CB ARG A 52 -12.709 3.122 2.189 1.00 0.00 C ATOM 834 CG ARG A 52 -14.069 3.719 2.514 1.00 0.00 C ATOM 835 CD ARG A 52 -14.999 2.684 3.128 1.00 0.00 C ATOM 836 NE ARG A 52 -14.905 2.660 4.585 1.00 0.00 N ATOM 837 CZ ARG A 52 -15.467 1.725 5.343 1.00 0.00 C ATOM 838 NH1 ARG A 52 -16.160 0.743 4.784 1.00 0.00 N ATOM 839 NH2 ARG A 52 -15.337 1.772 6.663 1.00 0.00 N ATOM 0 H ARG A 52 -11.687 5.383 2.970 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.954 2.698 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.332 3.575 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.827 2.056 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.946 4.554 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.518 4.120 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.026 2.900 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.755 1.698 2.733 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.379 3.402 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.263 0.704 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.591 0.026 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.805 2.527 7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.769 1.053 7.244 1.00 0.00 H new ATOM 853 N GLN A 53 -10.230 1.646 2.289 1.00 0.00 N ATOM 854 CA GLN A 53 -8.975 1.100 1.787 1.00 0.00 C ATOM 855 C GLN A 53 -9.037 0.891 0.278 1.00 0.00 C ATOM 856 O GLN A 53 -9.354 -0.201 -0.195 1.00 0.00 O ATOM 857 CB GLN A 53 -8.654 -0.223 2.485 1.00 0.00 C ATOM 858 CG GLN A 53 -7.829 -0.058 3.751 1.00 0.00 C ATOM 859 CD GLN A 53 -6.924 -1.245 4.017 1.00 0.00 C ATOM 860 OE1 GLN A 53 -5.700 -1.137 3.939 1.00 0.00 O ATOM 861 NE2 GLN A 53 -7.523 -2.387 4.333 1.00 0.00 N ATOM 0 H GLN A 53 -11.028 1.017 2.203 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.184 1.818 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.587 -0.729 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.115 -0.869 1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.223 0.845 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.498 0.082 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.541 -2.431 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.966 -3.220 4.523 1.00 0.00 H new ATOM 870 N SER A 54 -8.733 1.944 -0.474 1.00 0.00 N ATOM 871 CA SER A 54 -8.759 1.877 -1.930 1.00 0.00 C ATOM 872 C SER A 54 -8.143 0.571 -2.425 1.00 0.00 C ATOM 873 O SER A 54 -8.517 0.054 -3.476 1.00 0.00 O ATOM 874 CB SER A 54 -8.008 3.067 -2.531 1.00 0.00 C ATOM 875 OG SER A 54 -6.607 2.907 -2.395 1.00 0.00 O ATOM 0 H SER A 54 -8.466 2.854 -0.099 1.00 0.00 H new ATOM 0 HA SER A 54 -9.800 1.913 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.265 3.168 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.322 3.986 -2.037 1.00 0.00 H new ATOM 0 HG SER A 54 -6.150 3.679 -2.788 1.00 0.00 H new ATOM 881 N GLY A 55 -7.194 0.043 -1.657 1.00 0.00 N ATOM 882 CA GLY A 55 -6.541 -1.197 -2.032 1.00 0.00 C ATOM 883 C GLY A 55 -5.043 -1.035 -2.202 1.00 0.00 C ATOM 884 O GLY A 55 -4.272 -1.919 -1.832 1.00 0.00 O ATOM 0 H GLY A 55 -6.866 0.452 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.738 -1.952 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.972 -1.564 -2.964 1.00 0.00 H new ATOM 888 N GLU A 56 -4.632 0.097 -2.764 1.00 0.00 N ATOM 889 CA GLU A 56 -3.216 0.370 -2.984 1.00 0.00 C ATOM 890 C GLU A 56 -2.476 0.505 -1.656 1.00 0.00 C ATOM 891 O GLU A 56 -3.003 1.061 -0.693 1.00 0.00 O ATOM 892 CB GLU A 56 -3.042 1.646 -3.809 1.00 0.00 C ATOM 893 CG GLU A 56 -3.431 1.484 -5.269 1.00 0.00 C ATOM 894 CD GLU A 56 -3.848 2.794 -5.911 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.957 3.279 -5.601 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.067 3.333 -6.722 1.00 0.00 O ATOM 0 H GLU A 56 -5.258 0.839 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.791 -0.470 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.645 2.439 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.002 1.966 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.590 1.065 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.250 0.769 -5.346 1.00 0.00 H new ATOM 903 N ALA A 57 -1.250 -0.008 -1.614 1.00 0.00 N ATOM 904 CA ALA A 57 -0.437 0.057 -0.407 1.00 0.00 C ATOM 905 C ALA A 57 1.050 -0.008 -0.742 1.00 0.00 C ATOM 906 O ALA A 57 1.529 -0.998 -1.295 1.00 0.00 O ATOM 907 CB ALA A 57 -0.814 -1.069 0.545 1.00 0.00 C ATOM 0 H ALA A 57 -0.799 -0.473 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.632 1.012 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.198 -1.008 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.865 -0.977 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.649 -2.029 0.056 1.00 0.00 H new ATOM 913 N PHE A 58 1.774 1.054 -0.405 1.00 0.00 N ATOM 914 CA PHE A 58 3.206 1.119 -0.673 1.00 0.00 C ATOM 915 C PHE A 58 3.995 0.391 0.411 1.00 0.00 C ATOM 916 O PHE A 58 3.487 0.143 1.504 1.00 0.00 O ATOM 917 CB PHE A 58 3.664 2.576 -0.762 1.00 0.00 C ATOM 918 CG PHE A 58 3.086 3.316 -1.934 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.730 3.595 -1.993 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.899 3.734 -2.975 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.196 4.275 -3.071 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.370 4.415 -4.056 1.00 0.00 C ATOM 923 CZ PHE A 58 2.016 4.687 -4.103 1.00 0.00 C ATOM 0 H PHE A 58 1.393 1.881 0.054 1.00 0.00 H new ATOM 0 HA PHE A 58 3.395 0.627 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.386 3.093 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.752 2.603 -0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.084 3.278 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.958 3.526 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.137 4.484 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.014 4.734 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.600 5.221 -4.945 1.00 0.00 H new ATOM 933 N VAL A 59 5.242 0.050 0.099 1.00 0.00 N ATOM 934 CA VAL A 59 6.103 -0.649 1.046 1.00 0.00 C ATOM 935 C VAL A 59 7.568 -0.290 0.825 1.00 0.00 C ATOM 936 O VAL A 59 8.089 -0.424 -0.282 1.00 0.00 O ATOM 937 CB VAL A 59 5.937 -2.176 0.933 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.855 -2.887 1.916 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.486 -2.572 1.164 1.00 0.00 C ATOM 0 H VAL A 59 5.678 0.247 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 59 5.801 -0.331 2.044 1.00 0.00 H new ATOM 0 HB VAL A 59 6.217 -2.481 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.724 -3.965 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.891 -2.627 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.609 -2.579 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.386 -3.654 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.176 -2.255 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.854 -2.091 0.417 1.00 0.00 H new ATOM 949 N GLU A 60 8.226 0.166 1.886 1.00 0.00 N ATOM 950 CA GLU A 60 9.632 0.544 1.806 1.00 0.00 C ATOM 951 C GLU A 60 10.534 -0.675 1.975 1.00 0.00 C ATOM 952 O GLU A 60 10.233 -1.582 2.753 1.00 0.00 O ATOM 953 CB GLU A 60 9.963 1.589 2.875 1.00 0.00 C ATOM 954 CG GLU A 60 9.486 2.988 2.525 1.00 0.00 C ATOM 955 CD GLU A 60 9.931 4.026 3.538 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.143 4.324 3.587 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.068 4.539 4.281 1.00 0.00 O ATOM 0 H GLU A 60 7.809 0.282 2.810 1.00 0.00 H new ATOM 0 HA GLU A 60 9.811 0.973 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.512 1.286 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.042 1.610 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.865 3.261 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.398 2.992 2.461 1.00 0.00 H new ATOM 964 N LEU A 61 11.641 -0.691 1.241 1.00 0.00 N ATOM 965 CA LEU A 61 12.588 -1.799 1.308 1.00 0.00 C ATOM 966 C LEU A 61 13.886 -1.366 1.981 1.00 0.00 C ATOM 967 O LEU A 61 14.009 -0.231 2.441 1.00 0.00 O ATOM 968 CB LEU A 61 12.881 -2.331 -0.096 1.00 0.00 C ATOM 969 CG LEU A 61 11.662 -2.715 -0.936 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.080 -3.050 -2.360 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.927 -3.887 -0.304 1.00 0.00 C ATOM 0 H LEU A 61 11.905 0.051 0.592 1.00 0.00 H new ATOM 0 HA LEU A 61 12.139 -2.593 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.447 -1.574 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.524 -3.206 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 61 10.984 -1.862 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.200 -3.321 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.562 -2.183 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.778 -3.887 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.063 -4.147 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.597 -4.745 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.594 -3.611 0.697 1.00 0.00 H new ATOM 983 N GLU A 62 14.853 -2.277 2.032 1.00 0.00 N ATOM 984 CA GLU A 62 16.143 -1.987 2.648 1.00 0.00 C ATOM 985 C GLU A 62 17.192 -1.667 1.588 1.00 0.00 C ATOM 986 O GLU A 62 17.905 -0.668 1.686 1.00 0.00 O ATOM 987 CB GLU A 62 16.605 -3.173 3.497 1.00 0.00 C ATOM 988 CG GLU A 62 17.940 -2.944 4.187 1.00 0.00 C ATOM 989 CD GLU A 62 17.838 -1.976 5.349 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.650 -0.767 5.099 1.00 0.00 O ATOM 991 OE2 GLU A 62 17.946 -2.427 6.509 1.00 0.00 O ATOM 0 H GLU A 62 14.768 -3.221 1.655 1.00 0.00 H new ATOM 0 HA GLU A 62 16.023 -1.114 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.847 -3.386 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.680 -4.056 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.327 -3.897 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.658 -2.561 3.462 1.00 0.00 H new ATOM 998 N SER A 63 17.282 -2.523 0.575 1.00 0.00 N ATOM 999 CA SER A 63 18.247 -2.335 -0.502 1.00 0.00 C ATOM 1000 C SER A 63 17.573 -2.466 -1.864 1.00 0.00 C ATOM 1001 O SER A 63 16.371 -2.714 -1.952 1.00 0.00 O ATOM 1002 CB SER A 63 19.382 -3.354 -0.382 1.00 0.00 C ATOM 1003 OG SER A 63 19.890 -3.398 0.940 1.00 0.00 O ATOM 0 H SER A 63 16.698 -3.354 0.478 1.00 0.00 H new ATOM 0 HA SER A 63 18.660 -1.330 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.020 -4.341 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.183 -3.094 -1.074 1.00 0.00 H new ATOM 0 HG SER A 63 20.613 -4.058 0.991 1.00 0.00 H new ATOM 1009 N GLU A 64 18.357 -2.297 -2.924 1.00 0.00 N ATOM 1010 CA GLU A 64 17.836 -2.395 -4.283 1.00 0.00 C ATOM 1011 C GLU A 64 17.340 -3.808 -4.575 1.00 0.00 C ATOM 1012 O GLU A 64 16.192 -4.005 -4.973 1.00 0.00 O ATOM 1013 CB GLU A 64 18.914 -2.001 -5.296 1.00 0.00 C ATOM 1014 CG GLU A 64 18.395 -1.876 -6.718 1.00 0.00 C ATOM 1015 CD GLU A 64 19.457 -1.393 -7.686 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.529 -2.030 -7.757 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.217 -0.379 -8.374 1.00 0.00 O ATOM 0 H GLU A 64 19.355 -2.092 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 64 16.995 -1.708 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.355 -1.051 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.711 -2.744 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.019 -2.844 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.553 -1.184 -6.734 1.00 0.00 H new ATOM 1024 N ASP A 65 18.214 -4.788 -4.374 1.00 0.00 N ATOM 1025 CA ASP A 65 17.866 -6.184 -4.615 1.00 0.00 C ATOM 1026 C ASP A 65 16.429 -6.467 -4.188 1.00 0.00 C ATOM 1027 O ASP A 65 15.715 -7.227 -4.842 1.00 0.00 O ATOM 1028 CB ASP A 65 18.826 -7.108 -3.864 1.00 0.00 C ATOM 1029 CG ASP A 65 20.061 -7.442 -4.676 1.00 0.00 C ATOM 1030 OD1 ASP A 65 21.032 -6.658 -4.631 1.00 0.00 O ATOM 1031 OD2 ASP A 65 20.058 -8.489 -5.357 1.00 0.00 O ATOM 0 H ASP A 65 19.168 -4.642 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 65 17.953 -6.375 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.126 -6.633 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.307 -8.030 -3.601 1.00 0.00 H new ATOM 1036 N ASP A 66 16.013 -5.852 -3.087 1.00 0.00 N ATOM 1037 CA ASP A 66 14.661 -6.037 -2.572 1.00 0.00 C ATOM 1038 C ASP A 66 13.622 -5.676 -3.629 1.00 0.00 C ATOM 1039 O ASP A 66 12.698 -6.445 -3.895 1.00 0.00 O ATOM 1040 CB ASP A 66 14.448 -5.187 -1.318 1.00 0.00 C ATOM 1041 CG ASP A 66 15.269 -5.675 -0.141 1.00 0.00 C ATOM 1042 OD1 ASP A 66 16.242 -6.425 -0.366 1.00 0.00 O ATOM 1043 OD2 ASP A 66 14.938 -5.307 1.005 1.00 0.00 O ATOM 0 H ASP A 66 16.592 -5.221 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 66 14.539 -7.089 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.710 -4.152 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.392 -5.199 -1.050 1.00 0.00 H new ATOM 1048 N VAL A 67 13.779 -4.500 -4.229 1.00 0.00 N ATOM 1049 CA VAL A 67 12.855 -4.037 -5.257 1.00 0.00 C ATOM 1050 C VAL A 67 12.668 -5.090 -6.343 1.00 0.00 C ATOM 1051 O VAL A 67 11.548 -5.512 -6.628 1.00 0.00 O ATOM 1052 CB VAL A 67 13.347 -2.729 -5.905 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.327 -2.214 -6.909 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.634 -1.682 -4.839 1.00 0.00 C ATOM 0 H VAL A 67 14.538 -3.851 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 67 11.900 -3.854 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 67 14.275 -2.935 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.692 -1.289 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.176 -2.960 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.381 -2.023 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.981 -0.764 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.724 -1.477 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.404 -2.053 -4.162 1.00 0.00 H new ATOM 1064 N LYS A 68 13.774 -5.512 -6.947 1.00 0.00 N ATOM 1065 CA LYS A 68 13.735 -6.518 -8.001 1.00 0.00 C ATOM 1066 C LYS A 68 12.959 -7.751 -7.548 1.00 0.00 C ATOM 1067 O LYS A 68 12.162 -8.309 -8.304 1.00 0.00 O ATOM 1068 CB LYS A 68 15.155 -6.918 -8.407 1.00 0.00 C ATOM 1069 CG LYS A 68 16.032 -5.739 -8.790 1.00 0.00 C ATOM 1070 CD LYS A 68 17.437 -6.185 -9.159 1.00 0.00 C ATOM 1071 CE LYS A 68 18.350 -4.997 -9.420 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.313 -4.572 -10.847 1.00 0.00 N ATOM 0 H LYS A 68 14.709 -5.172 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 68 13.226 -6.085 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.622 -7.455 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.102 -7.609 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.585 -5.210 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.079 -5.035 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.850 -6.792 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.398 -6.817 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.051 -4.163 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.372 -5.257 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.948 -3.760 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.622 -5.359 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.343 -4.299 -11.103 1.00 0.00 H new ATOM 1086 N LEU A 69 13.194 -8.171 -6.310 1.00 0.00 N ATOM 1087 CA LEU A 69 12.516 -9.337 -5.755 1.00 0.00 C ATOM 1088 C LEU A 69 11.018 -9.081 -5.617 1.00 0.00 C ATOM 1089 O LEU A 69 10.198 -9.904 -6.022 1.00 0.00 O ATOM 1090 CB LEU A 69 13.111 -9.698 -4.393 1.00 0.00 C ATOM 1091 CG LEU A 69 14.573 -10.147 -4.397 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.132 -10.159 -2.983 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.707 -11.521 -5.038 1.00 0.00 C ATOM 0 H LEU A 69 13.849 -7.721 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 69 12.662 -10.172 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.020 -8.832 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.509 -10.494 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 69 15.150 -9.435 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.173 -10.481 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.072 -9.157 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.553 -10.848 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.754 -11.825 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.116 -12.244 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.347 -11.480 -6.066 1.00 0.00 H new ATOM 1105 N ALA A 70 10.670 -7.934 -5.043 1.00 0.00 N ATOM 1106 CA ALA A 70 9.272 -7.568 -4.855 1.00 0.00 C ATOM 1107 C ALA A 70 8.503 -7.645 -6.169 1.00 0.00 C ATOM 1108 O ALA A 70 7.365 -8.116 -6.209 1.00 0.00 O ATOM 1109 CB ALA A 70 9.167 -6.171 -4.261 1.00 0.00 C ATOM 0 H ALA A 70 11.337 -7.243 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 70 8.826 -8.280 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.117 -5.911 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.674 -6.147 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.635 -5.453 -4.935 1.00 0.00 H new ATOM 1115 N LEU A 71 9.129 -7.178 -7.244 1.00 0.00 N ATOM 1116 CA LEU A 71 8.503 -7.193 -8.561 1.00 0.00 C ATOM 1117 C LEU A 71 8.193 -8.620 -9.001 1.00 0.00 C ATOM 1118 O LEU A 71 7.365 -8.844 -9.884 1.00 0.00 O ATOM 1119 CB LEU A 71 9.414 -6.518 -9.588 1.00 0.00 C ATOM 1120 CG LEU A 71 9.672 -5.025 -9.377 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.776 -4.539 -10.303 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.396 -4.227 -9.601 1.00 0.00 C ATOM 0 H LEU A 71 10.070 -6.784 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 71 7.566 -6.641 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.373 -7.036 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.977 -6.655 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 71 9.996 -4.873 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.946 -3.475 -10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.694 -5.089 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.481 -4.704 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.598 -3.167 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.043 -4.384 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.632 -4.557 -8.897 1.00 0.00 H new ATOM 1134 N LYS A 72 8.862 -9.584 -8.377 1.00 0.00 N ATOM 1135 CA LYS A 72 8.657 -10.991 -8.700 1.00 0.00 C ATOM 1136 C LYS A 72 7.377 -11.516 -8.057 1.00 0.00 C ATOM 1137 O LYS A 72 6.949 -12.638 -8.327 1.00 0.00 O ATOM 1138 CB LYS A 72 9.853 -11.823 -8.232 1.00 0.00 C ATOM 1139 CG LYS A 72 11.179 -11.363 -8.813 1.00 0.00 C ATOM 1140 CD LYS A 72 12.320 -12.269 -8.385 1.00 0.00 C ATOM 1141 CE LYS A 72 13.669 -11.701 -8.800 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.023 -12.076 -10.197 1.00 0.00 N ATOM 0 H LYS A 72 9.551 -9.416 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 72 8.562 -11.079 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.909 -11.783 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.689 -12.865 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.114 -11.347 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.384 -10.342 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.296 -12.399 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.188 -13.256 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.649 -10.615 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.440 -12.063 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.949 -11.670 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.067 -13.112 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.301 -11.708 -10.849 1.00 0.00 H new ATOM 1156 N LYS A 73 6.769 -10.697 -7.206 1.00 0.00 N ATOM 1157 CA LYS A 73 5.536 -11.076 -6.526 1.00 0.00 C ATOM 1158 C LYS A 73 4.315 -10.609 -7.312 1.00 0.00 C ATOM 1159 O LYS A 73 3.186 -10.687 -6.828 1.00 0.00 O ATOM 1160 CB LYS A 73 5.504 -10.484 -5.115 1.00 0.00 C ATOM 1161 CG LYS A 73 6.810 -10.648 -4.357 1.00 0.00 C ATOM 1162 CD LYS A 73 7.074 -12.104 -4.010 1.00 0.00 C ATOM 1163 CE LYS A 73 6.299 -12.531 -2.773 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.953 -13.979 -2.807 1.00 0.00 N ATOM 0 H LYS A 73 7.110 -9.765 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 73 5.508 -12.164 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.262 -9.423 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.703 -10.959 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.632 -10.262 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.778 -10.055 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.794 -12.737 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.141 -12.251 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.891 -12.320 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.386 -11.941 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.425 -14.230 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.366 -14.176 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.825 -14.543 -2.855 1.00 0.00 H new ATOM 1178 N ASP A 74 4.549 -10.125 -8.527 1.00 0.00 N ATOM 1179 CA ASP A 74 3.468 -9.647 -9.381 1.00 0.00 C ATOM 1180 C ASP A 74 2.491 -10.774 -9.702 1.00 0.00 C ATOM 1181 O ASP A 74 2.869 -11.946 -9.735 1.00 0.00 O ATOM 1182 CB ASP A 74 4.033 -9.061 -10.676 1.00 0.00 C ATOM 1183 CG ASP A 74 3.066 -9.182 -11.837 1.00 0.00 C ATOM 1184 OD1 ASP A 74 3.013 -10.266 -12.455 1.00 0.00 O ATOM 1185 OD2 ASP A 74 2.362 -8.193 -12.127 1.00 0.00 O ATOM 0 H ASP A 74 5.478 -10.053 -8.943 1.00 0.00 H new ATOM 0 HA ASP A 74 2.931 -8.866 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.278 -8.011 -10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.963 -9.571 -10.927 1.00 0.00 H new ATOM 1190 N ARG A 75 1.234 -10.412 -9.937 1.00 0.00 N ATOM 1191 CA ARG A 75 0.203 -11.393 -10.253 1.00 0.00 C ATOM 1192 C ARG A 75 0.173 -12.506 -9.210 1.00 0.00 C ATOM 1193 O ARG A 75 -0.142 -13.654 -9.522 1.00 0.00 O ATOM 1194 CB ARG A 75 0.443 -11.988 -11.642 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.248 -11.223 -12.760 1.00 0.00 C ATOM 1196 CD ARG A 75 -0.112 -11.943 -14.093 1.00 0.00 C ATOM 1197 NE ARG A 75 -0.958 -13.132 -14.161 1.00 0.00 N ATOM 1198 CZ ARG A 75 -1.271 -13.746 -15.297 1.00 0.00 C ATOM 1199 NH1 ARG A 75 -0.811 -13.287 -16.452 1.00 0.00 N ATOM 1200 NH2 ARG A 75 -2.046 -14.823 -15.278 1.00 0.00 N ATOM 0 H ARG A 75 0.905 -9.447 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.761 -10.884 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.515 -12.011 -11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.095 -13.021 -11.651 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.304 -11.098 -12.519 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.182 -10.224 -12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.378 -11.262 -14.902 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.929 -12.229 -14.246 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.328 -13.511 -13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.215 -12.460 -16.471 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.053 -13.761 -17.322 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.402 -15.180 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.286 -15.294 -16.150 1.00 0.00 H new ATOM 1214 N GLU A 76 0.504 -12.157 -7.971 1.00 0.00 N ATOM 1215 CA GLU A 76 0.516 -13.128 -6.882 1.00 0.00 C ATOM 1216 C GLU A 76 -0.870 -13.265 -6.260 1.00 0.00 C ATOM 1217 O GLU A 76 -1.813 -12.583 -6.662 1.00 0.00 O ATOM 1218 CB GLU A 76 1.529 -12.715 -5.812 1.00 0.00 C ATOM 1219 CG GLU A 76 2.946 -13.176 -6.105 1.00 0.00 C ATOM 1220 CD GLU A 76 3.162 -14.641 -5.778 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.273 -15.457 -6.100 1.00 0.00 O ATOM 1222 OE2 GLU A 76 4.218 -14.971 -5.199 1.00 0.00 O ATOM 0 H GLU A 76 0.767 -11.211 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 76 0.807 -14.094 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.522 -11.629 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.215 -13.122 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.169 -13.006 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.647 -12.572 -5.529 1.00 0.00 H new ATOM 1229 N SER A 77 -0.986 -14.152 -5.277 1.00 0.00 N ATOM 1230 CA SER A 77 -2.258 -14.383 -4.602 1.00 0.00 C ATOM 1231 C SER A 77 -2.102 -14.252 -3.090 1.00 0.00 C ATOM 1232 O SER A 77 -1.437 -15.068 -2.451 1.00 0.00 O ATOM 1233 CB SER A 77 -2.801 -15.770 -4.952 1.00 0.00 C ATOM 1234 OG SER A 77 -1.853 -16.780 -4.652 1.00 0.00 O ATOM 0 H SER A 77 -0.215 -14.722 -4.930 1.00 0.00 H new ATOM 0 HA SER A 77 -2.965 -13.627 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.721 -15.954 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.054 -15.808 -6.011 1.00 0.00 H new ATOM 0 HG SER A 77 -1.411 -16.572 -3.802 1.00 0.00 H new ATOM 1240 N MET A 78 -2.719 -13.220 -2.525 1.00 0.00 N ATOM 1241 CA MET A 78 -2.650 -12.982 -1.088 1.00 0.00 C ATOM 1242 C MET A 78 -3.915 -13.477 -0.393 1.00 0.00 C ATOM 1243 O MET A 78 -4.966 -12.842 -0.470 1.00 0.00 O ATOM 1244 CB MET A 78 -2.449 -11.492 -0.805 1.00 0.00 C ATOM 1245 CG MET A 78 -2.544 -11.135 0.669 1.00 0.00 C ATOM 1246 SD MET A 78 -2.608 -9.355 0.950 1.00 0.00 S ATOM 1247 CE MET A 78 -0.886 -8.916 0.730 1.00 0.00 C ATOM 0 H MET A 78 -3.272 -12.535 -3.040 1.00 0.00 H new ATOM 0 HA MET A 78 -1.799 -13.538 -0.694 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.473 -11.188 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.196 -10.922 -1.357 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.434 -11.598 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.685 -11.551 1.196 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.680 -7.980 1.249 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.254 -9.705 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.674 -8.796 -0.332 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.806 -14.616 0.284 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.949 -15.177 0.981 1.00 0.00 C ATOM 1259 C GLY A 79 -5.958 -15.798 0.035 1.00 0.00 C ATOM 1260 O GLY A 79 -5.905 -16.997 -0.240 1.00 0.00 O ATOM 0 H GLY A 79 -2.947 -15.160 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.605 -15.933 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.435 -14.394 1.563 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.881 -14.981 -0.463 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.907 -15.458 -1.382 1.00 0.00 C ATOM 1266 C HIS A 80 -8.048 -14.516 -2.575 1.00 0.00 C ATOM 1267 O HIS A 80 -8.855 -14.754 -3.474 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.248 -15.588 -0.660 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.430 -15.555 -1.579 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.181 -14.419 -1.799 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -10.988 -16.526 -2.339 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -12.151 -14.694 -2.653 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -12.056 -15.966 -2.996 1.00 0.00 N ATOM 0 H HIS A 80 -6.939 -13.986 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.604 -16.439 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.260 -16.523 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.340 -14.780 0.066 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.655 -17.551 -2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.895 -13.997 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.675 -16.453 -3.644 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.259 -13.447 -2.575 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.297 -12.469 -3.655 1.00 0.00 C ATOM 1284 C ARG A 81 -5.953 -12.401 -4.374 1.00 0.00 C ATOM 1285 O ARG A 81 -5.007 -13.100 -4.012 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.667 -11.089 -3.110 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.016 -11.051 -2.411 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.594 -9.645 -2.390 1.00 0.00 C ATOM 1289 NE ARG A 81 -9.981 -9.192 -3.723 1.00 0.00 N ATOM 1290 CZ ARG A 81 -10.769 -8.146 -3.943 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.250 -7.447 -2.924 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.077 -7.795 -5.185 1.00 0.00 N ATOM 0 H ARG A 81 -6.585 -13.236 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.057 -12.784 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.896 -10.765 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.673 -10.373 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.709 -11.723 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.908 -11.416 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.463 -9.620 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.859 -8.957 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.627 -9.707 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.015 -7.712 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.855 -6.644 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.708 -8.329 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.682 -6.991 -5.353 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.877 -11.554 -5.395 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.650 -11.396 -6.167 1.00 0.00 C ATOM 1308 C TYR A 82 -3.986 -10.055 -5.867 1.00 0.00 C ATOM 1309 O TYR A 82 -4.662 -9.063 -5.592 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.946 -11.507 -7.664 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.801 -12.911 -8.207 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.563 -13.956 -7.699 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.902 -13.191 -9.229 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.432 -15.240 -8.192 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.766 -14.472 -9.729 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.533 -15.493 -9.207 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.401 -16.770 -9.702 1.00 0.00 O ATOM 0 H TYR A 82 -6.650 -10.967 -5.707 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.965 -12.193 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.961 -11.157 -7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.274 -10.844 -8.209 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.269 -13.761 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.300 -12.394 -9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.030 -16.041 -7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.063 -14.673 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.727 -16.777 -10.414 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.659 -10.034 -5.922 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.903 -8.816 -5.659 1.00 0.00 C ATOM 1329 C ILE A 83 -1.032 -8.441 -6.852 1.00 0.00 C ATOM 1330 O ILE A 83 -0.489 -9.309 -7.535 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.010 -8.967 -4.413 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.774 -9.676 -3.293 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.518 -7.605 -3.946 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.171 -9.137 -3.080 1.00 0.00 C ATOM 0 H ILE A 83 -2.085 -10.847 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.631 -8.025 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.144 -9.574 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.835 -10.740 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.211 -9.582 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.112 -7.728 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.059 -7.134 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.372 -6.976 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.653 -9.686 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.117 -8.080 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.750 -9.256 -3.996 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.901 -7.140 -7.097 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.095 -6.650 -8.208 1.00 0.00 C ATOM 1348 C GLU A 84 0.992 -5.700 -7.714 1.00 0.00 C ATOM 1349 O GLU A 84 0.701 -4.625 -7.189 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.979 -5.940 -9.236 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.924 -6.874 -9.973 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.809 -6.144 -10.966 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.386 -5.983 -12.130 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -3.923 -5.735 -10.579 1.00 0.00 O ATOM 0 H GLU A 84 -1.343 -6.408 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 84 0.383 -7.508 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.563 -5.170 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.343 -5.433 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.343 -7.632 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.550 -7.397 -9.250 1.00 0.00 H new ATOM 1361 N VAL A 85 2.247 -6.104 -7.886 1.00 0.00 N ATOM 1362 CA VAL A 85 3.378 -5.290 -7.458 1.00 0.00 C ATOM 1363 C VAL A 85 3.716 -4.229 -8.500 1.00 0.00 C ATOM 1364 O VAL A 85 3.607 -4.468 -9.703 1.00 0.00 O ATOM 1365 CB VAL A 85 4.626 -6.154 -7.198 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.751 -5.309 -6.621 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.287 -7.311 -6.270 1.00 0.00 C ATOM 0 H VAL A 85 2.506 -6.991 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 85 3.083 -4.803 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 85 4.966 -6.566 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.624 -5.937 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.010 -4.518 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.427 -4.865 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.180 -7.912 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.922 -6.921 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.516 -7.931 -6.728 1.00 0.00 H new ATOM 1377 N PHE A 86 4.128 -3.056 -8.030 1.00 0.00 N ATOM 1378 CA PHE A 86 4.482 -1.957 -8.920 1.00 0.00 C ATOM 1379 C PHE A 86 5.746 -1.252 -8.438 1.00 0.00 C ATOM 1380 O PHE A 86 5.848 -0.861 -7.275 1.00 0.00 O ATOM 1381 CB PHE A 86 3.329 -0.955 -9.013 1.00 0.00 C ATOM 1382 CG PHE A 86 2.163 -1.456 -9.817 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.345 -1.923 -11.109 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.885 -1.458 -9.282 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.275 -2.384 -11.852 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.189 -1.919 -10.020 1.00 0.00 C ATOM 1387 CZ PHE A 86 0.006 -2.381 -11.307 1.00 0.00 C ATOM 0 H PHE A 86 4.225 -2.842 -7.037 1.00 0.00 H new ATOM 0 HA PHE A 86 4.674 -2.372 -9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.988 -0.711 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.697 -0.030 -9.458 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.335 -1.927 -11.540 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.726 -1.095 -8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.431 -2.746 -12.857 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.180 -1.918 -9.591 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.832 -2.739 -11.886 1.00 0.00 H new ATOM 1397 N LYS A 87 6.709 -1.093 -9.340 1.00 0.00 N ATOM 1398 CA LYS A 87 7.967 -0.434 -9.009 1.00 0.00 C ATOM 1399 C LYS A 87 7.771 1.072 -8.865 1.00 0.00 C ATOM 1400 O LYS A 87 7.424 1.757 -9.827 1.00 0.00 O ATOM 1401 CB LYS A 87 9.016 -0.723 -10.085 1.00 0.00 C ATOM 1402 CG LYS A 87 10.443 -0.690 -9.568 1.00 0.00 C ATOM 1403 CD LYS A 87 10.904 0.732 -9.294 1.00 0.00 C ATOM 1404 CE LYS A 87 12.294 0.758 -8.678 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.041 1.993 -9.045 1.00 0.00 N ATOM 0 H LYS A 87 6.642 -1.412 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 87 8.316 -0.829 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.818 -1.703 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.912 0.008 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.513 -1.279 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.106 -1.154 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.906 1.300 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.198 1.222 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.212 0.692 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.854 -0.117 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.983 1.972 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.142 2.043 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.520 2.827 -8.707 1.00 0.00 H new ATOM 1419 N SER A 88 7.998 1.581 -7.658 1.00 0.00 N ATOM 1420 CA SER A 88 7.845 3.005 -7.388 1.00 0.00 C ATOM 1421 C SER A 88 8.913 3.492 -6.413 1.00 0.00 C ATOM 1422 O SER A 88 9.591 2.692 -5.768 1.00 0.00 O ATOM 1423 CB SER A 88 6.453 3.292 -6.822 1.00 0.00 C ATOM 1424 OG SER A 88 6.042 4.615 -7.121 1.00 0.00 O ATOM 0 H SER A 88 8.289 1.028 -6.852 1.00 0.00 H new ATOM 0 HA SER A 88 7.965 3.542 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.736 2.583 -7.236 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.459 3.145 -5.742 1.00 0.00 H new ATOM 0 HG SER A 88 6.103 4.766 -8.087 1.00 0.00 H new ATOM 1430 N HIS A 89 9.057 4.809 -6.312 1.00 0.00 N ATOM 1431 CA HIS A 89 10.042 5.404 -5.416 1.00 0.00 C ATOM 1432 C HIS A 89 9.385 5.869 -4.119 1.00 0.00 C ATOM 1433 O HIS A 89 8.198 5.633 -3.894 1.00 0.00 O ATOM 1434 CB HIS A 89 10.739 6.581 -6.099 1.00 0.00 C ATOM 1435 CG HIS A 89 9.880 7.284 -7.104 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.425 8.575 -6.933 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.395 6.871 -8.298 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.696 8.924 -7.978 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.662 7.908 -8.821 1.00 0.00 N ATOM 0 H HIS A 89 8.504 5.485 -6.839 1.00 0.00 H new ATOM 0 HA HIS A 89 10.784 4.643 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.055 7.296 -5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.642 6.221 -6.593 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.555 5.905 -8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.210 9.878 -8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.171 7.895 -9.715 1.00 0.00 H new ATOM 1448 N ARG A 90 10.166 6.530 -3.271 1.00 0.00 N ATOM 1449 CA ARG A 90 9.661 7.026 -1.996 1.00 0.00 C ATOM 1450 C ARG A 90 9.097 8.436 -2.147 1.00 0.00 C ATOM 1451 O ARG A 90 8.169 8.825 -1.436 1.00 0.00 O ATOM 1452 CB ARG A 90 10.773 7.020 -0.945 1.00 0.00 C ATOM 1453 CG ARG A 90 11.552 8.323 -0.875 1.00 0.00 C ATOM 1454 CD ARG A 90 10.937 9.287 0.126 1.00 0.00 C ATOM 1455 NE ARG A 90 11.313 10.672 -0.145 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.650 11.720 0.332 1.00 0.00 C ATOM 1457 NH1 ARG A 90 9.584 11.541 1.099 1.00 0.00 N ATOM 1458 NH2 ARG A 90 11.054 12.950 0.041 1.00 0.00 N ATOM 0 H ARG A 90 11.150 6.734 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 90 8.859 6.365 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.336 6.815 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.463 6.205 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.585 8.116 -0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.576 8.787 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.851 9.194 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.255 9.016 1.133 1.00 0.00 H new ATOM 0 HE ARG A 90 12.129 10.844 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.271 10.597 1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.077 12.347 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.874 13.091 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.545 13.754 0.407 1.00 0.00 H new ATOM 1472 N THR A 91 9.664 9.199 -3.076 1.00 0.00 N ATOM 1473 CA THR A 91 9.219 10.565 -3.319 1.00 0.00 C ATOM 1474 C THR A 91 7.778 10.595 -3.813 1.00 0.00 C ATOM 1475 O THR A 91 7.047 11.553 -3.564 1.00 0.00 O ATOM 1476 CB THR A 91 10.118 11.274 -4.350 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.347 11.677 -3.734 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.416 12.489 -4.936 1.00 0.00 C ATOM 0 H THR A 91 10.433 8.894 -3.673 1.00 0.00 H new ATOM 0 HA THR A 91 9.284 11.092 -2.367 1.00 0.00 H new ATOM 0 HB THR A 91 10.330 10.573 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.102 11.337 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.070 12.973 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.497 12.175 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.177 13.191 -4.138 1.00 0.00 H new ATOM 1486 N GLU A 92 7.375 9.539 -4.513 1.00 0.00 N ATOM 1487 CA GLU A 92 6.019 9.446 -5.042 1.00 0.00 C ATOM 1488 C GLU A 92 5.050 8.953 -3.971 1.00 0.00 C ATOM 1489 O GLU A 92 3.899 9.383 -3.916 1.00 0.00 O ATOM 1490 CB GLU A 92 5.983 8.508 -6.250 1.00 0.00 C ATOM 1491 CG GLU A 92 4.604 7.936 -6.535 1.00 0.00 C ATOM 1492 CD GLU A 92 4.460 7.444 -7.962 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.454 6.931 -8.516 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.352 7.572 -8.524 1.00 0.00 O ATOM 0 H GLU A 92 7.967 8.737 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 92 5.709 10.443 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.332 9.049 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.680 7.687 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.408 7.112 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.851 8.699 -6.340 1.00 0.00 H new ATOM 1501 N MET A 93 5.526 8.047 -3.123 1.00 0.00 N ATOM 1502 CA MET A 93 4.703 7.495 -2.054 1.00 0.00 C ATOM 1503 C MET A 93 4.459 8.534 -0.964 1.00 0.00 C ATOM 1504 O MET A 93 3.509 8.423 -0.189 1.00 0.00 O ATOM 1505 CB MET A 93 5.371 6.257 -1.453 1.00 0.00 C ATOM 1506 CG MET A 93 4.638 5.695 -0.246 1.00 0.00 C ATOM 1507 SD MET A 93 5.630 4.508 0.679 1.00 0.00 S ATOM 1508 CE MET A 93 6.955 5.560 1.268 1.00 0.00 C ATOM 0 H MET A 93 6.477 7.680 -3.156 1.00 0.00 H new ATOM 0 HA MET A 93 3.742 7.209 -2.481 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.439 5.484 -2.218 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.391 6.510 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.351 6.514 0.413 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.718 5.214 -0.577 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.361 5.151 2.193 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.743 5.608 0.516 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.569 6.562 1.454 1.00 0.00 H new ATOM 1518 N ASP A 94 5.321 9.543 -0.911 1.00 0.00 N ATOM 1519 CA ASP A 94 5.199 10.603 0.083 1.00 0.00 C ATOM 1520 C ASP A 94 4.014 11.510 -0.233 1.00 0.00 C ATOM 1521 O ASP A 94 3.337 12.001 0.670 1.00 0.00 O ATOM 1522 CB ASP A 94 6.486 11.426 0.144 1.00 0.00 C ATOM 1523 CG ASP A 94 6.746 11.993 1.526 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.360 11.285 2.352 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.337 13.145 1.780 1.00 0.00 O ATOM 0 H ASP A 94 6.113 9.649 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 94 5.029 10.138 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.328 10.801 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.426 12.243 -0.575 1.00 0.00 H new ATOM 1530 N TRP A 95 3.771 11.730 -1.521 1.00 0.00 N ATOM 1531 CA TRP A 95 2.669 12.580 -1.956 1.00 0.00 C ATOM 1532 C TRP A 95 1.353 11.809 -1.954 1.00 0.00 C ATOM 1533 O TRP A 95 0.352 12.272 -1.409 1.00 0.00 O ATOM 1534 CB TRP A 95 2.947 13.135 -3.354 1.00 0.00 C ATOM 1535 CG TRP A 95 2.322 12.325 -4.450 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.973 11.587 -5.396 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.923 12.176 -4.713 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.063 10.986 -6.232 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.798 11.331 -5.833 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.237 12.670 -4.110 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.440 10.974 -6.362 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.464 12.315 -4.636 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.558 11.473 -5.752 1.00 0.00 C ATOM 0 H TRP A 95 4.322 11.332 -2.281 1.00 0.00 H new ATOM 0 HA TRP A 95 2.584 13.409 -1.254 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.576 14.158 -3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.025 13.177 -3.513 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.046 11.490 -5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.292 10.381 -7.021 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.175 13.318 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.515 10.326 -7.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.367 12.693 -4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.532 11.213 -6.138 1.00 0.00 H new ATOM 1554 N VAL A 96 1.363 10.630 -2.568 1.00 0.00 N ATOM 1555 CA VAL A 96 0.170 9.794 -2.636 1.00 0.00 C ATOM 1556 C VAL A 96 -0.445 9.601 -1.254 1.00 0.00 C ATOM 1557 O VAL A 96 -1.661 9.451 -1.119 1.00 0.00 O ATOM 1558 CB VAL A 96 0.486 8.414 -3.242 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.183 8.567 -4.585 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.333 7.592 -2.282 1.00 0.00 C ATOM 0 H VAL A 96 2.184 10.232 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.543 10.311 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.453 7.885 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.398 7.581 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.536 9.114 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.115 9.116 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.547 6.620 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.269 8.114 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.791 7.452 -1.347 1.00 0.00 H new ATOM 1570 N LEU A 97 0.401 9.606 -0.230 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.060 9.433 1.143 1.00 0.00 C ATOM 1572 C LEU A 97 -0.647 10.731 1.689 1.00 0.00 C ATOM 1573 O LEU A 97 -1.829 10.795 2.029 1.00 0.00 O ATOM 1574 CB LEU A 97 1.094 8.968 2.034 1.00 0.00 C ATOM 1575 CG LEU A 97 1.554 7.523 1.837 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.891 7.290 2.523 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.506 6.554 2.363 1.00 0.00 C ATOM 0 H LEU A 97 1.409 9.728 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.842 8.674 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.946 9.626 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.797 9.095 3.075 1.00 0.00 H new ATOM 0 HG LEU A 97 1.681 7.345 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.202 6.256 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.639 7.960 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.791 7.487 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.850 5.530 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.346 6.733 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.430 6.704 1.825 1.00 0.00 H new ATOM 1589 N LYS A 98 0.185 11.763 1.768 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.251 13.061 2.269 1.00 0.00 C ATOM 1591 C LYS A 98 -1.606 13.444 1.682 1.00 0.00 C ATOM 1592 O LYS A 98 -2.351 14.226 2.272 1.00 0.00 O ATOM 1593 CB LYS A 98 0.785 14.136 1.930 1.00 0.00 C ATOM 1594 CG LYS A 98 2.161 13.858 2.510 1.00 0.00 C ATOM 1595 CD LYS A 98 3.248 14.585 1.737 1.00 0.00 C ATOM 1596 CE LYS A 98 3.465 15.993 2.271 1.00 0.00 C ATOM 1597 NZ LYS A 98 4.565 16.695 1.554 1.00 0.00 N ATOM 0 H LYS A 98 1.166 11.726 1.491 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.351 12.989 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.867 14.221 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.432 15.099 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.186 14.168 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.355 12.786 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.180 14.023 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.976 14.632 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.543 16.565 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.697 15.946 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.681 17.651 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.451 16.163 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.332 16.763 0.543 1.00 0.00 H new ATOM 1611 N HIS A 99 -1.920 12.886 0.516 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.186 13.167 -0.149 1.00 0.00 C ATOM 1613 C HIS A 99 -3.955 11.877 -0.422 1.00 0.00 C ATOM 1614 O HIS A 99 -4.413 11.640 -1.539 1.00 0.00 O ATOM 1615 CB HIS A 99 -2.943 13.916 -1.460 1.00 0.00 C ATOM 1616 CG HIS A 99 -1.856 14.942 -1.370 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.529 15.591 -0.199 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.019 15.430 -2.316 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.538 16.435 -0.427 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.210 16.356 -1.704 1.00 0.00 N ATOM 0 H HIS A 99 -1.315 12.237 0.013 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.784 13.793 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.689 13.197 -2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.868 14.404 -1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.993 15.144 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.075 17.079 0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.525 16.895 -2.162 1.00 0.00 H new ATOM 1629 N SER A 100 -4.092 11.048 0.608 1.00 0.00 N ATOM 1630 CA SER A 100 -4.801 9.780 0.478 1.00 0.00 C ATOM 1631 C SER A 100 -5.807 9.601 1.612 1.00 0.00 C ATOM 1632 O SER A 100 -7.001 9.427 1.376 1.00 0.00 O ATOM 1633 CB SER A 100 -3.810 8.615 0.472 1.00 0.00 C ATOM 1634 OG SER A 100 -4.393 7.446 1.022 1.00 0.00 O ATOM 0 H SER A 100 -3.722 11.231 1.541 1.00 0.00 H new ATOM 0 HA SER A 100 -5.343 9.791 -0.467 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.484 8.417 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.922 8.886 1.044 1.00 0.00 H new ATOM 0 HG SER A 100 -5.291 7.322 0.649 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.312 9.647 2.845 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.179 9.488 3.998 1.00 0.00 C ATOM 1642 C GLY A 101 -7.448 10.311 3.887 1.00 0.00 C ATOM 1643 O GLY A 101 -7.560 11.207 3.051 1.00 0.00 O ATOM 0 H GLY A 101 -4.327 9.791 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.441 8.436 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.638 9.779 4.898 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.433 10.006 4.745 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.718 10.711 4.758 1.00 0.00 C ATOM 1649 C PRO A 102 -9.587 12.144 5.264 1.00 0.00 C ATOM 1650 O PRO A 102 -10.573 12.876 5.345 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.569 9.879 5.721 1.00 0.00 C ATOM 1652 CG PRO A 102 -9.584 9.208 6.614 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.367 8.949 5.769 1.00 0.00 C ATOM 0 HA PRO A 102 -10.145 10.800 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.254 10.509 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.177 9.151 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.339 9.839 7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.988 8.277 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.450 9.013 6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.391 7.955 5.323 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.364 12.538 5.604 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.105 13.883 6.103 1.00 0.00 C ATOM 1663 C ASN A 103 -6.904 14.504 5.396 1.00 0.00 C ATOM 1664 O ASN A 103 -6.238 13.850 4.593 1.00 0.00 O ATOM 1665 CB ASN A 103 -7.863 13.852 7.613 1.00 0.00 C ATOM 1666 CG ASN A 103 -6.484 13.329 7.967 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -6.302 12.134 8.198 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -5.505 14.225 8.010 1.00 0.00 N ATOM 0 H ASN A 103 -7.537 11.944 5.543 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.982 14.495 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.982 14.857 8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.619 13.225 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.556 13.932 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.702 15.206 7.811 1.00 0.00 H new ATOM 1675 N SER A 104 -6.633 15.769 5.702 1.00 0.00 N ATOM 1676 CA SER A 104 -5.513 16.479 5.094 1.00 0.00 C ATOM 1677 C SER A 104 -4.700 17.217 6.152 1.00 0.00 C ATOM 1678 O SER A 104 -5.250 17.740 7.121 1.00 0.00 O ATOM 1679 CB SER A 104 -6.020 17.467 4.042 1.00 0.00 C ATOM 1680 OG SER A 104 -6.530 18.642 4.649 1.00 0.00 O ATOM 0 H SER A 104 -7.173 16.323 6.367 1.00 0.00 H new ATOM 0 HA SER A 104 -4.867 15.745 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.208 17.728 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.799 16.996 3.442 1.00 0.00 H new ATOM 0 HG SER A 104 -6.846 19.258 3.955 1.00 0.00 H new ATOM 1686 N ALA A 105 -3.385 17.256 5.958 1.00 0.00 N ATOM 1687 CA ALA A 105 -2.495 17.931 6.894 1.00 0.00 C ATOM 1688 C ALA A 105 -2.136 19.328 6.399 1.00 0.00 C ATOM 1689 O ALA A 105 -2.472 20.328 7.034 1.00 0.00 O ATOM 1690 CB ALA A 105 -1.235 17.107 7.112 1.00 0.00 C ATOM 0 H ALA A 105 -2.913 16.828 5.161 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.018 18.033 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.579 17.623 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.504 16.132 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.718 16.975 6.162 1.00 0.00 H new ATOM 1696 N SER A 106 -1.451 19.390 5.261 1.00 0.00 N ATOM 1697 CA SER A 106 -1.042 20.665 4.684 1.00 0.00 C ATOM 1698 C SER A 106 -1.823 20.958 3.406 1.00 0.00 C ATOM 1699 O SER A 106 -2.357 20.050 2.770 1.00 0.00 O ATOM 1700 CB SER A 106 0.459 20.657 4.387 1.00 0.00 C ATOM 1701 OG SER A 106 0.741 19.930 3.204 1.00 0.00 O ATOM 0 H SER A 106 -1.168 18.572 4.721 1.00 0.00 H new ATOM 0 HA SER A 106 -1.257 21.450 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.818 21.681 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.997 20.215 5.226 1.00 0.00 H new ATOM 0 HG SER A 106 1.706 19.941 3.035 1.00 0.00 H new ATOM 1707 N GLY A 107 -1.884 22.233 3.036 1.00 0.00 N ATOM 1708 CA GLY A 107 -2.601 22.624 1.836 1.00 0.00 C ATOM 1709 C GLY A 107 -3.839 23.444 2.142 1.00 0.00 C ATOM 1710 O GLY A 107 -4.535 23.212 3.130 1.00 0.00 O ATOM 0 H GLY A 107 -1.450 23.003 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.937 23.200 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.888 21.731 1.281 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.127 24.431 1.280 1.00 0.00 N ATOM 1715 CA PRO A 108 -5.289 25.310 1.443 1.00 0.00 C ATOM 1716 C PRO A 108 -6.606 24.580 1.199 1.00 0.00 C ATOM 1717 O PRO A 108 -7.632 24.918 1.789 1.00 0.00 O ATOM 1718 CB PRO A 108 -5.071 26.388 0.378 1.00 0.00 C ATOM 1719 CG PRO A 108 -4.225 25.731 -0.658 1.00 0.00 C ATOM 1720 CD PRO A 108 -3.341 24.765 0.081 1.00 0.00 C ATOM 0 HA PRO A 108 -5.364 25.702 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.018 26.728 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.575 27.264 0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.841 25.213 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.631 26.466 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.125 23.880 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.383 25.215 0.341 1.00 0.00 H new ATOM 1728 N SER A 109 -6.569 23.577 0.328 1.00 0.00 N ATOM 1729 CA SER A 109 -7.761 22.801 0.004 1.00 0.00 C ATOM 1730 C SER A 109 -8.481 22.357 1.274 1.00 0.00 C ATOM 1731 O SER A 109 -8.099 21.371 1.904 1.00 0.00 O ATOM 1732 CB SER A 109 -7.387 21.580 -0.838 1.00 0.00 C ATOM 1733 OG SER A 109 -6.583 21.950 -1.944 1.00 0.00 O ATOM 0 H SER A 109 -5.727 23.282 -0.166 1.00 0.00 H new ATOM 0 HA SER A 109 -8.434 23.437 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.852 20.859 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.293 21.087 -1.192 1.00 0.00 H new ATOM 0 HG SER A 109 -6.356 21.152 -2.465 1.00 0.00 H new ATOM 1739 N SER A 110 -9.525 23.092 1.643 1.00 0.00 N ATOM 1740 CA SER A 110 -10.297 22.777 2.839 1.00 0.00 C ATOM 1741 C SER A 110 -9.377 22.409 3.999 1.00 0.00 C ATOM 1742 O SER A 110 -9.633 21.454 4.730 1.00 0.00 O ATOM 1743 CB SER A 110 -11.267 21.627 2.558 1.00 0.00 C ATOM 1744 OG SER A 110 -12.315 21.599 3.511 1.00 0.00 O ATOM 0 H SER A 110 -9.856 23.910 1.131 1.00 0.00 H new ATOM 0 HA SER A 110 -10.867 23.664 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.684 21.736 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.728 20.680 2.578 1.00 0.00 H new ATOM 0 HG SER A 110 -11.935 21.582 4.414 1.00 0.00 H new ATOM 1750 N GLY A 111 -8.302 23.176 4.159 1.00 0.00 N ATOM 1751 CA GLY A 111 -7.359 22.915 5.231 1.00 0.00 C ATOM 1752 C GLY A 111 -7.150 24.121 6.125 1.00 0.00 C ATOM 1753 O GLY A 111 -7.629 24.152 7.259 1.00 0.00 O ATOM 0 H GLY A 111 -8.068 23.972 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.718 22.079 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.403 22.613 4.804 1.00 0.00 H new TER 1757 GLY A 111