USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 THR OG1 : rot -66:sc= 0.298 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.687 X(o=0.99,f=1.2) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.817 USER MOD Set 2.2: A 6 GLN : amide:sc= 0.891 K(o=1.7,f=0.78) USER MOD Set 2.3: A 30 THR OG1 : rot -150:sc= 0.00489 USER MOD Single : A 18 MET CE :methyl -127:sc= -0.652 (180deg=-0.925) USER MOD Single : A 19 MET CE :methyl 172:sc= -1.21 (180deg=-1.53) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= -0.529 (180deg=-0.566) USER MOD Single : A 34 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.928) USER MOD Single : A 65 SER OG : rot 110:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.0922 (180deg=-0.543) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 106 MET CE :methyl -170:sc= -2.66! (180deg=-3.08!) USER MOD Single : A 111 LYS NZ :NH3+ 152:sc= -0.978 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 10.734 1.971 -2.167 1.00 0.00 N ATOM 42 CA LEU A 4 11.350 1.933 -3.489 1.00 0.00 C ATOM 43 C LEU A 4 10.858 0.707 -4.251 1.00 0.00 C ATOM 44 O LEU A 4 10.592 -0.326 -3.641 1.00 0.00 O ATOM 45 CB LEU A 4 12.872 1.874 -3.325 1.00 0.00 C ATOM 46 CG LEU A 4 13.398 2.998 -2.429 1.00 0.00 C ATOM 47 CD1 LEU A 4 14.853 2.705 -2.082 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.322 4.345 -3.139 1.00 0.00 C ATOM 0 HA LEU A 4 11.078 2.826 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.153 0.910 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.345 1.941 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 4 12.785 3.045 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.242 3.498 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.917 1.752 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.442 2.655 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.702 5.126 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.924 4.312 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.286 4.562 -3.398 1.00 0.00 H new ATOM 60 N THR A 5 10.734 0.807 -5.580 1.00 0.00 N ATOM 61 CA THR A 5 10.339 -0.342 -6.392 1.00 0.00 C ATOM 62 C THR A 5 11.160 -0.511 -7.663 1.00 0.00 C ATOM 63 O THR A 5 11.514 -1.633 -8.009 1.00 0.00 O ATOM 64 CB THR A 5 8.831 -0.351 -6.673 1.00 0.00 C ATOM 65 OG1 THR A 5 8.553 0.423 -7.820 1.00 0.00 O ATOM 66 CG2 THR A 5 8.020 0.200 -5.500 1.00 0.00 C ATOM 0 H THR A 5 10.900 1.664 -6.108 1.00 0.00 H new ATOM 0 HA THR A 5 10.566 -1.219 -5.786 1.00 0.00 H new ATOM 0 HB THR A 5 8.541 -1.390 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.589 0.412 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.959 0.173 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.202 -0.408 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.320 1.229 -5.301 1.00 0.00 H new ATOM 74 N GLN A 6 11.472 0.581 -8.362 1.00 0.00 N ATOM 75 CA GLN A 6 12.292 0.500 -9.562 1.00 0.00 C ATOM 76 C GLN A 6 13.758 0.520 -9.143 1.00 0.00 C ATOM 77 O GLN A 6 14.293 1.575 -8.819 1.00 0.00 O ATOM 78 CB GLN A 6 11.972 1.671 -10.496 1.00 0.00 C ATOM 79 CG GLN A 6 10.463 1.794 -10.740 1.00 0.00 C ATOM 80 CD GLN A 6 9.875 0.525 -11.350 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.166 0.182 -12.493 1.00 0.00 O ATOM 82 NE2 GLN A 6 9.049 -0.184 -10.586 1.00 0.00 N ATOM 0 H GLN A 6 11.170 1.524 -8.117 1.00 0.00 H new ATOM 0 HA GLN A 6 12.083 -0.422 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.349 2.598 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.486 1.531 -11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.960 2.009 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.271 2.637 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.830 0.132 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.634 -1.044 -10.945 1.00 0.00 H new ATOM 91 N ILE A 7 14.414 -0.643 -9.143 1.00 0.00 N ATOM 92 CA ILE A 7 15.782 -0.741 -8.656 1.00 0.00 C ATOM 93 C ILE A 7 16.677 -1.443 -9.669 1.00 0.00 C ATOM 94 O ILE A 7 16.333 -2.515 -10.170 1.00 0.00 O ATOM 95 CB ILE A 7 15.788 -1.454 -7.296 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.014 -0.597 -6.279 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.229 -1.672 -6.824 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.015 -1.227 -4.885 1.00 0.00 C ATOM 0 H ILE A 7 14.018 -1.523 -9.474 1.00 0.00 H new ATOM 0 HA ILE A 7 16.189 0.261 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 7 15.307 -2.428 -7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.459 0.397 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.986 -0.469 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.223 -2.178 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.761 -2.284 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.729 -0.709 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.458 -0.590 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.546 -2.210 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.041 -1.330 -4.533 1.00 0.00 H new ATOM 110 N LEU A 8 17.830 -0.832 -9.962 1.00 0.00 N ATOM 111 CA LEU A 8 18.842 -1.439 -10.814 1.00 0.00 C ATOM 112 C LEU A 8 19.837 -2.219 -9.955 1.00 0.00 C ATOM 113 O LEU A 8 20.034 -1.898 -8.785 1.00 0.00 O ATOM 114 CB LEU A 8 19.564 -0.358 -11.632 1.00 0.00 C ATOM 115 CG LEU A 8 20.249 -0.984 -12.855 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.268 -1.019 -14.025 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.477 -0.180 -13.260 1.00 0.00 C ATOM 0 H LEU A 8 18.081 0.093 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 8 18.361 -2.128 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.851 0.400 -11.955 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.304 0.145 -11.010 1.00 0.00 H new ATOM 0 HG LEU A 8 20.561 -1.995 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.754 -1.463 -14.894 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.397 -1.615 -13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.952 -0.004 -14.266 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.945 -0.643 -14.129 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.179 0.839 -13.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.187 -0.159 -12.433 1.00 0.00 H new ATOM 129 N ILE A 9 20.460 -3.243 -10.534 1.00 0.00 N ATOM 130 CA ILE A 9 21.470 -4.034 -9.851 1.00 0.00 C ATOM 131 C ILE A 9 22.746 -4.034 -10.684 1.00 0.00 C ATOM 132 O ILE A 9 22.690 -4.099 -11.912 1.00 0.00 O ATOM 133 CB ILE A 9 20.947 -5.461 -9.630 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.632 -5.452 -8.838 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.992 -6.307 -8.893 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.898 -6.786 -9.011 1.00 0.00 C ATOM 0 H ILE A 9 20.276 -3.545 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 9 21.692 -3.603 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 9 20.757 -5.901 -10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.837 -5.276 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.999 -4.634 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.605 -7.315 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.906 -6.353 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.209 -5.855 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.967 -6.765 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.676 -6.945 -10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.527 -7.598 -8.646 1.00 0.00 H new ATOM 148 N VAL A 10 23.898 -3.965 -10.019 1.00 0.00 N ATOM 149 CA VAL A 10 25.190 -3.999 -10.683 1.00 0.00 C ATOM 150 C VAL A 10 26.126 -4.924 -9.922 1.00 0.00 C ATOM 151 O VAL A 10 26.602 -4.579 -8.841 1.00 0.00 O ATOM 152 CB VAL A 10 25.767 -2.587 -10.815 1.00 0.00 C ATOM 153 CG1 VAL A 10 26.999 -2.618 -11.711 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.742 -1.615 -11.397 1.00 0.00 C ATOM 0 H VAL A 10 23.957 -3.884 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 10 25.070 -4.390 -11.693 1.00 0.00 H new ATOM 0 HB VAL A 10 26.037 -2.241 -9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.407 -1.612 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.750 -3.276 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.722 -2.989 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.186 -0.623 -11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.437 -1.957 -12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.870 -1.571 -10.744 1.00 0.00 H new ATOM 164 N GLU A 11 26.383 -6.100 -10.494 1.00 0.00 N ATOM 165 CA GLU A 11 27.110 -7.160 -9.812 1.00 0.00 C ATOM 166 C GLU A 11 27.774 -8.072 -10.840 1.00 0.00 C ATOM 167 O GLU A 11 27.168 -8.405 -11.858 1.00 0.00 O ATOM 168 CB GLU A 11 26.118 -7.943 -8.942 1.00 0.00 C ATOM 169 CG GLU A 11 26.787 -9.102 -8.198 1.00 0.00 C ATOM 170 CD GLU A 11 27.647 -8.627 -7.026 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.563 -7.427 -6.686 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.383 -9.477 -6.482 1.00 0.00 O ATOM 0 H GLU A 11 26.092 -6.340 -11.442 1.00 0.00 H new ATOM 0 HA GLU A 11 27.893 -6.742 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.659 -7.267 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.316 -8.332 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.020 -9.783 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 11 27.407 -9.667 -8.894 1.00 0.00 H new ATOM 179 N ASP A 12 29.020 -8.478 -10.580 1.00 0.00 N ATOM 180 CA ASP A 12 29.748 -9.360 -11.486 1.00 0.00 C ATOM 181 C ASP A 12 29.556 -10.842 -11.130 1.00 0.00 C ATOM 182 O ASP A 12 29.629 -11.706 -12.001 1.00 0.00 O ATOM 183 CB ASP A 12 31.225 -8.951 -11.513 1.00 0.00 C ATOM 184 CG ASP A 12 32.093 -9.929 -12.302 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.631 -10.387 -13.371 1.00 0.00 O ATOM 186 OD2 ASP A 12 33.214 -10.207 -11.824 1.00 0.00 O ATOM 0 H ASP A 12 29.543 -8.207 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 12 29.340 -9.248 -12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.315 -7.957 -11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.598 -8.884 -10.491 1.00 0.00 H new ATOM 191 N GLU A 13 29.310 -11.142 -9.848 1.00 0.00 N ATOM 192 CA GLU A 13 29.054 -12.511 -9.414 1.00 0.00 C ATOM 193 C GLU A 13 27.615 -12.890 -9.763 1.00 0.00 C ATOM 194 O GLU A 13 26.694 -12.116 -9.491 1.00 0.00 O ATOM 195 CB GLU A 13 29.293 -12.629 -7.906 1.00 0.00 C ATOM 196 CG GLU A 13 29.198 -14.089 -7.454 1.00 0.00 C ATOM 197 CD GLU A 13 29.623 -14.269 -5.995 1.00 0.00 C ATOM 198 OE1 GLU A 13 30.114 -13.287 -5.400 1.00 0.00 O ATOM 199 OE2 GLU A 13 29.446 -15.401 -5.487 1.00 0.00 O ATOM 0 H GLU A 13 29.284 -10.452 -9.098 1.00 0.00 H new ATOM 0 HA GLU A 13 29.733 -13.194 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.276 -12.229 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.559 -12.029 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.174 -14.441 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 13 29.828 -14.708 -8.093 1.00 0.00 H new ATOM 206 N PRO A 14 27.387 -14.068 -10.358 1.00 0.00 N ATOM 207 CA PRO A 14 26.057 -14.504 -10.744 1.00 0.00 C ATOM 208 C PRO A 14 25.183 -14.776 -9.526 1.00 0.00 C ATOM 209 O PRO A 14 23.999 -14.441 -9.533 1.00 0.00 O ATOM 210 CB PRO A 14 26.262 -15.783 -11.552 1.00 0.00 C ATOM 211 CG PRO A 14 27.658 -16.285 -11.176 1.00 0.00 C ATOM 212 CD PRO A 14 28.407 -15.031 -10.730 1.00 0.00 C ATOM 0 HA PRO A 14 25.544 -13.734 -11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.500 -16.525 -11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.190 -15.587 -12.622 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.612 -17.025 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.150 -16.761 -12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 14 29.065 -15.248 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.034 -14.645 -11.533 1.00 0.00 H new ATOM 220 N LEU A 15 25.758 -15.383 -8.481 1.00 0.00 N ATOM 221 CA LEU A 15 24.989 -15.811 -7.325 1.00 0.00 C ATOM 222 C LEU A 15 24.375 -14.616 -6.595 1.00 0.00 C ATOM 223 O LEU A 15 23.206 -14.663 -6.222 1.00 0.00 O ATOM 224 CB LEU A 15 25.888 -16.604 -6.372 1.00 0.00 C ATOM 225 CG LEU A 15 26.006 -18.075 -6.786 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.732 -18.232 -8.122 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.782 -18.829 -5.710 1.00 0.00 C ATOM 0 H LEU A 15 26.756 -15.585 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 15 24.175 -16.447 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.880 -16.153 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.487 -16.543 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 15 24.999 -18.478 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.795 -19.289 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.183 -17.701 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.737 -17.818 -8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.872 -19.878 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.776 -18.394 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.253 -18.755 -4.760 1.00 0.00 H new ATOM 239 N ILE A 16 25.153 -13.548 -6.388 1.00 0.00 N ATOM 240 CA ILE A 16 24.658 -12.386 -5.656 1.00 0.00 C ATOM 241 C ILE A 16 23.679 -11.596 -6.529 1.00 0.00 C ATOM 242 O ILE A 16 22.778 -10.942 -6.011 1.00 0.00 O ATOM 243 CB ILE A 16 25.843 -11.502 -5.229 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.968 -12.325 -4.579 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.373 -10.404 -4.266 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.520 -12.992 -3.274 1.00 0.00 C ATOM 0 H ILE A 16 26.116 -13.468 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 16 24.129 -12.717 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 16 26.246 -11.042 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.306 -13.090 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.821 -11.676 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.223 -9.788 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.627 -9.782 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.934 -10.861 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.349 -13.561 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.207 -12.227 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.685 -13.663 -3.476 1.00 0.00 H new ATOM 258 N ALA A 17 23.854 -11.655 -7.854 1.00 0.00 N ATOM 259 CA ALA A 17 23.010 -10.923 -8.781 1.00 0.00 C ATOM 260 C ALA A 17 21.637 -11.577 -8.896 1.00 0.00 C ATOM 261 O ALA A 17 20.623 -10.885 -8.833 1.00 0.00 O ATOM 262 CB ALA A 17 23.697 -10.870 -10.147 1.00 0.00 C ATOM 0 H ALA A 17 24.582 -12.210 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 17 22.863 -9.909 -8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.069 -10.322 -10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.659 -10.367 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.853 -11.884 -10.515 1.00 0.00 H new ATOM 268 N MET A 18 21.596 -12.904 -9.064 1.00 0.00 N ATOM 269 CA MET A 18 20.334 -13.604 -9.261 1.00 0.00 C ATOM 270 C MET A 18 19.533 -13.625 -7.959 1.00 0.00 C ATOM 271 O MET A 18 18.312 -13.750 -7.990 1.00 0.00 O ATOM 272 CB MET A 18 20.601 -15.023 -9.774 1.00 0.00 C ATOM 273 CG MET A 18 21.253 -15.904 -8.706 1.00 0.00 C ATOM 274 SD MET A 18 21.536 -17.616 -9.235 1.00 0.00 S ATOM 275 CE MET A 18 22.790 -17.343 -10.516 1.00 0.00 C ATOM 0 H MET A 18 22.419 -13.506 -9.067 1.00 0.00 H new ATOM 0 HA MET A 18 19.741 -13.077 -10.009 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.663 -15.476 -10.094 1.00 0.00 H new ATOM 0 HB3 MET A 18 21.248 -14.976 -10.650 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.206 -15.462 -8.417 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.621 -15.909 -7.818 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.473 -17.821 -11.443 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.913 -16.273 -10.683 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.739 -17.771 -10.193 1.00 0.00 H new ATOM 285 N MET A 19 20.218 -13.506 -6.818 1.00 0.00 N ATOM 286 CA MET A 19 19.553 -13.423 -5.528 1.00 0.00 C ATOM 287 C MET A 19 18.844 -12.082 -5.376 1.00 0.00 C ATOM 288 O MET A 19 17.748 -12.021 -4.820 1.00 0.00 O ATOM 289 CB MET A 19 20.587 -13.617 -4.416 1.00 0.00 C ATOM 290 CG MET A 19 20.975 -15.089 -4.279 1.00 0.00 C ATOM 291 SD MET A 19 20.082 -15.998 -2.986 1.00 0.00 S ATOM 292 CE MET A 19 18.389 -15.883 -3.616 1.00 0.00 C ATOM 0 H MET A 19 21.236 -13.465 -6.769 1.00 0.00 H new ATOM 0 HA MET A 19 18.800 -14.208 -5.459 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.474 -13.022 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.182 -13.254 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.805 -15.585 -5.235 1.00 0.00 H new ATOM 0 HG3 MET A 19 22.044 -15.150 -4.074 1.00 0.00 H new ATOM 0 HE1 MET A 19 17.733 -16.511 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.050 -14.848 -3.562 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.363 -16.220 -4.652 1.00 0.00 H new ATOM 302 N LEU A 20 19.458 -11.003 -5.869 1.00 0.00 N ATOM 303 CA LEU A 20 18.874 -9.675 -5.771 1.00 0.00 C ATOM 304 C LEU A 20 17.670 -9.544 -6.701 1.00 0.00 C ATOM 305 O LEU A 20 16.738 -8.800 -6.401 1.00 0.00 O ATOM 306 CB LEU A 20 19.942 -8.629 -6.109 1.00 0.00 C ATOM 307 CG LEU A 20 20.962 -8.509 -4.973 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.125 -7.635 -5.434 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.322 -7.876 -3.736 1.00 0.00 C ATOM 0 H LEU A 20 20.362 -11.030 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 20 18.522 -9.510 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.450 -8.906 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.469 -7.663 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 20 21.316 -9.507 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.855 -7.546 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.599 -8.089 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.754 -6.645 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.064 -7.800 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.954 -6.881 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.491 -8.496 -3.399 1.00 0.00 H new ATOM 321 N GLU A 21 17.677 -10.261 -7.828 1.00 0.00 N ATOM 322 CA GLU A 21 16.547 -10.244 -8.746 1.00 0.00 C ATOM 323 C GLU A 21 15.361 -11.000 -8.152 1.00 0.00 C ATOM 324 O GLU A 21 14.210 -10.639 -8.388 1.00 0.00 O ATOM 325 CB GLU A 21 16.964 -10.870 -10.081 1.00 0.00 C ATOM 326 CG GLU A 21 18.014 -10.001 -10.774 1.00 0.00 C ATOM 327 CD GLU A 21 18.540 -10.650 -12.054 1.00 0.00 C ATOM 328 OE1 GLU A 21 19.364 -9.992 -12.727 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.117 -11.792 -12.345 1.00 0.00 O ATOM 0 H GLU A 21 18.451 -10.856 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 21 16.241 -9.211 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.365 -11.869 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.092 -10.981 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.581 -9.029 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.844 -9.821 -10.091 1.00 0.00 H new ATOM 336 N ASP A 22 15.644 -12.052 -7.379 1.00 0.00 N ATOM 337 CA ASP A 22 14.613 -12.876 -6.769 1.00 0.00 C ATOM 338 C ASP A 22 13.987 -12.159 -5.572 1.00 0.00 C ATOM 339 O ASP A 22 12.774 -12.210 -5.379 1.00 0.00 O ATOM 340 CB ASP A 22 15.235 -14.213 -6.351 1.00 0.00 C ATOM 341 CG ASP A 22 14.239 -15.143 -5.659 1.00 0.00 C ATOM 342 OD1 ASP A 22 13.021 -14.982 -5.902 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.707 -16.012 -4.889 1.00 0.00 O ATOM 0 H ASP A 22 16.595 -12.351 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 22 13.815 -13.061 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.638 -14.712 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.074 -14.024 -5.681 1.00 0.00 H new ATOM 348 N PHE A 23 14.814 -11.487 -4.765 1.00 0.00 N ATOM 349 CA PHE A 23 14.326 -10.806 -3.578 1.00 0.00 C ATOM 350 C PHE A 23 13.483 -9.568 -3.858 1.00 0.00 C ATOM 351 O PHE A 23 12.605 -9.229 -3.066 1.00 0.00 O ATOM 352 CB PHE A 23 15.475 -10.485 -2.627 1.00 0.00 C ATOM 353 CG PHE A 23 15.991 -11.675 -1.843 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.353 -11.999 -1.882 1.00 0.00 C ATOM 355 CD2 PHE A 23 15.112 -12.450 -1.075 1.00 0.00 C ATOM 356 CE1 PHE A 23 17.837 -13.096 -1.159 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.592 -13.550 -0.352 1.00 0.00 C ATOM 358 CZ PHE A 23 16.955 -13.871 -0.392 1.00 0.00 C ATOM 0 H PHE A 23 15.819 -11.404 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 23 13.646 -11.510 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.298 -10.060 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.146 -9.718 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.032 -11.401 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.062 -12.199 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.887 -13.345 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.912 -14.150 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.327 -14.716 0.168 1.00 0.00 H new ATOM 368 N LEU A 24 13.732 -8.881 -4.975 1.00 0.00 N ATOM 369 CA LEU A 24 12.938 -7.713 -5.324 1.00 0.00 C ATOM 370 C LEU A 24 11.549 -8.149 -5.775 1.00 0.00 C ATOM 371 O LEU A 24 10.565 -7.494 -5.451 1.00 0.00 O ATOM 372 CB LEU A 24 13.639 -6.917 -6.428 1.00 0.00 C ATOM 373 CG LEU A 24 14.887 -6.196 -5.900 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.651 -5.586 -7.071 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.495 -5.077 -4.936 1.00 0.00 C ATOM 0 H LEU A 24 14.468 -9.113 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 24 12.834 -7.072 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.922 -7.589 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.946 -6.187 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 24 15.509 -6.920 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.538 -5.073 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.951 -6.375 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.011 -4.873 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.394 -4.578 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.863 -4.355 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.948 -5.498 -4.093 1.00 0.00 H new ATOM 387 N GLU A 25 11.455 -9.253 -6.519 1.00 0.00 N ATOM 388 CA GLU A 25 10.182 -9.699 -7.063 1.00 0.00 C ATOM 389 C GLU A 25 9.236 -10.175 -5.960 1.00 0.00 C ATOM 390 O GLU A 25 8.032 -9.941 -6.038 1.00 0.00 O ATOM 391 CB GLU A 25 10.453 -10.819 -8.063 1.00 0.00 C ATOM 392 CG GLU A 25 9.142 -11.350 -8.646 1.00 0.00 C ATOM 393 CD GLU A 25 9.380 -12.410 -9.725 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.367 -12.959 -10.215 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.563 -12.663 -10.048 1.00 0.00 O ATOM 0 H GLU A 25 12.247 -9.850 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 25 9.691 -8.863 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.091 -10.450 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.993 -11.629 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.537 -11.777 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.573 -10.523 -9.070 1.00 0.00 H new ATOM 402 N VAL A 26 9.775 -10.842 -4.932 1.00 0.00 N ATOM 403 CA VAL A 26 8.958 -11.342 -3.830 1.00 0.00 C ATOM 404 C VAL A 26 8.525 -10.221 -2.886 1.00 0.00 C ATOM 405 O VAL A 26 7.525 -10.349 -2.178 1.00 0.00 O ATOM 406 CB VAL A 26 9.701 -12.468 -3.102 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.818 -11.911 -2.221 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.728 -13.258 -2.226 1.00 0.00 C ATOM 0 H VAL A 26 10.771 -11.045 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 26 8.036 -11.756 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 26 10.138 -13.121 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.328 -12.732 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.531 -11.366 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.393 -11.237 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.266 -14.056 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.278 -12.592 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.946 -13.691 -2.850 1.00 0.00 H new ATOM 418 N LEU A 27 9.275 -9.110 -2.876 1.00 0.00 N ATOM 419 CA LEU A 27 8.916 -7.921 -2.110 1.00 0.00 C ATOM 420 C LEU A 27 7.983 -7.018 -2.922 1.00 0.00 C ATOM 421 O LEU A 27 7.790 -5.855 -2.563 1.00 0.00 O ATOM 422 CB LEU A 27 10.183 -7.163 -1.702 1.00 0.00 C ATOM 423 CG LEU A 27 10.992 -7.930 -0.652 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.304 -7.187 -0.406 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.224 -8.020 0.670 1.00 0.00 C ATOM 0 H LEU A 27 10.145 -9.016 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 27 8.386 -8.229 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.802 -6.990 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.910 -6.185 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 27 11.178 -8.939 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.891 -7.722 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.868 -7.127 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.090 -6.181 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.819 -8.569 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.026 -7.016 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.279 -8.539 0.507 1.00 0.00 H new ATOM 437 N ASP A 28 7.407 -7.543 -4.006 1.00 0.00 N ATOM 438 CA ASP A 28 6.559 -6.776 -4.909 1.00 0.00 C ATOM 439 C ASP A 28 7.263 -5.562 -5.527 1.00 0.00 C ATOM 440 O ASP A 28 6.614 -4.604 -5.945 1.00 0.00 O ATOM 441 CB ASP A 28 5.216 -6.423 -4.249 1.00 0.00 C ATOM 442 CG ASP A 28 4.327 -7.646 -4.036 1.00 0.00 C ATOM 443 OD1 ASP A 28 3.254 -7.464 -3.413 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.713 -8.746 -4.488 1.00 0.00 O ATOM 0 H ASP A 28 7.519 -8.519 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 28 6.339 -7.425 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.403 -5.942 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.689 -5.699 -4.871 1.00 0.00 H new ATOM 449 N LYS A 29 8.599 -5.608 -5.582 1.00 0.00 N ATOM 450 CA LYS A 29 9.411 -4.571 -6.207 1.00 0.00 C ATOM 451 C LYS A 29 9.786 -5.006 -7.624 1.00 0.00 C ATOM 452 O LYS A 29 9.384 -6.080 -8.069 1.00 0.00 O ATOM 453 CB LYS A 29 10.653 -4.280 -5.355 1.00 0.00 C ATOM 454 CG LYS A 29 10.244 -3.741 -3.984 1.00 0.00 C ATOM 455 CD LYS A 29 11.487 -3.484 -3.127 1.00 0.00 C ATOM 456 CE LYS A 29 11.112 -2.758 -1.832 1.00 0.00 C ATOM 457 NZ LYS A 29 10.142 -3.527 -1.036 1.00 0.00 N ATOM 0 H LYS A 29 9.146 -6.374 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 29 8.839 -3.645 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.241 -5.190 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.289 -3.555 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.677 -2.818 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.590 -4.455 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.974 -4.430 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.205 -2.887 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.010 -2.583 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.692 -1.781 -2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.887 -2.988 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.288 -3.702 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.564 -4.436 -0.757 1.00 0.00 H new ATOM 471 N THR A 30 10.557 -4.174 -8.329 1.00 0.00 N ATOM 472 CA THR A 30 10.900 -4.421 -9.724 1.00 0.00 C ATOM 473 C THR A 30 12.403 -4.373 -10.010 1.00 0.00 C ATOM 474 O THR A 30 13.017 -3.316 -9.881 1.00 0.00 O ATOM 475 CB THR A 30 10.132 -3.463 -10.639 1.00 0.00 C ATOM 476 OG1 THR A 30 8.819 -3.263 -10.158 1.00 0.00 O ATOM 477 CG2 THR A 30 10.073 -4.021 -12.058 1.00 0.00 C ATOM 0 H THR A 30 10.957 -3.316 -7.948 1.00 0.00 H new ATOM 0 HA THR A 30 10.596 -5.446 -9.938 1.00 0.00 H new ATOM 0 HB THR A 30 10.657 -2.508 -10.648 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.219 -3.081 -10.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.524 -3.330 -12.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.085 -4.146 -12.442 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.567 -4.986 -12.049 1.00 0.00 H new ATOM 485 N PRO A 31 13.004 -5.506 -10.404 1.00 0.00 N ATOM 486 CA PRO A 31 14.361 -5.554 -10.910 1.00 0.00 C ATOM 487 C PRO A 31 14.356 -5.037 -12.350 1.00 0.00 C ATOM 488 O PRO A 31 14.308 -5.816 -13.303 1.00 0.00 O ATOM 489 CB PRO A 31 14.762 -7.026 -10.837 1.00 0.00 C ATOM 490 CG PRO A 31 13.435 -7.775 -10.999 1.00 0.00 C ATOM 491 CD PRO A 31 12.399 -6.826 -10.395 1.00 0.00 C ATOM 0 HA PRO A 31 15.063 -4.940 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.468 -7.288 -11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.242 -7.263 -9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.221 -7.985 -12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.451 -8.732 -10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.477 -6.835 -10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.139 -7.128 -9.380 1.00 0.00 H new ATOM 499 N VAL A 32 14.402 -3.711 -12.511 1.00 0.00 N ATOM 500 CA VAL A 32 14.246 -3.076 -13.817 1.00 0.00 C ATOM 501 C VAL A 32 15.434 -3.312 -14.748 1.00 0.00 C ATOM 502 O VAL A 32 15.379 -2.944 -15.919 1.00 0.00 O ATOM 503 CB VAL A 32 13.953 -1.579 -13.655 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.867 -1.356 -12.608 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.202 -0.809 -13.224 1.00 0.00 C ATOM 0 H VAL A 32 14.547 -3.054 -11.744 1.00 0.00 H new ATOM 0 HA VAL A 32 13.392 -3.552 -14.298 1.00 0.00 H new ATOM 0 HB VAL A 32 13.620 -1.212 -14.626 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.673 -0.288 -12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.953 -1.863 -12.918 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.198 -1.757 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.959 0.248 -13.119 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.557 -1.197 -12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.981 -0.929 -13.977 1.00 0.00 H new ATOM 515 N GLY A 33 16.511 -3.921 -14.244 1.00 0.00 N ATOM 516 CA GLY A 33 17.647 -4.264 -15.086 1.00 0.00 C ATOM 517 C GLY A 33 18.871 -4.648 -14.266 1.00 0.00 C ATOM 518 O GLY A 33 18.963 -4.333 -13.079 1.00 0.00 O ATOM 0 H GLY A 33 16.615 -4.183 -13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.376 -5.092 -15.741 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.892 -3.417 -15.727 1.00 0.00 H new ATOM 522 N THR A 34 19.814 -5.336 -14.916 1.00 0.00 N ATOM 523 CA THR A 34 21.072 -5.748 -14.312 1.00 0.00 C ATOM 524 C THR A 34 22.225 -5.644 -15.299 1.00 0.00 C ATOM 525 O THR A 34 22.076 -6.013 -16.464 1.00 0.00 O ATOM 526 CB THR A 34 20.966 -7.164 -13.734 1.00 0.00 C ATOM 527 OG1 THR A 34 19.762 -7.303 -13.013 1.00 0.00 O ATOM 528 CG2 THR A 34 22.158 -7.467 -12.820 1.00 0.00 C ATOM 0 H THR A 34 19.718 -5.624 -15.890 1.00 0.00 H new ATOM 0 HA THR A 34 21.282 -5.064 -13.490 1.00 0.00 H new ATOM 0 HB THR A 34 20.974 -7.874 -14.561 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.592 -8.253 -12.840 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.063 -8.477 -12.421 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.083 -7.388 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.177 -6.752 -11.998 1.00 0.00 H new ATOM 536 N VAL A 35 23.371 -5.141 -14.838 1.00 0.00 N ATOM 537 CA VAL A 35 24.553 -4.982 -15.675 1.00 0.00 C ATOM 538 C VAL A 35 25.817 -5.391 -14.924 1.00 0.00 C ATOM 539 O VAL A 35 25.821 -5.441 -13.694 1.00 0.00 O ATOM 540 CB VAL A 35 24.646 -3.548 -16.229 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.299 -3.062 -16.771 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.086 -2.589 -15.129 1.00 0.00 C ATOM 0 H VAL A 35 23.502 -4.834 -13.874 1.00 0.00 H new ATOM 0 HA VAL A 35 24.459 -5.652 -16.530 1.00 0.00 H new ATOM 0 HB VAL A 35 25.373 -3.565 -17.041 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.405 -2.047 -17.153 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.972 -3.720 -17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.559 -3.073 -15.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.149 -1.578 -15.531 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.361 -2.612 -14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.063 -2.891 -14.753 1.00 0.00 H new ATOM 552 N ASP A 36 26.889 -5.681 -15.666 1.00 0.00 N ATOM 553 CA ASP A 36 28.162 -6.096 -15.091 1.00 0.00 C ATOM 554 C ASP A 36 29.328 -5.180 -15.481 1.00 0.00 C ATOM 555 O ASP A 36 30.467 -5.420 -15.082 1.00 0.00 O ATOM 556 CB ASP A 36 28.454 -7.570 -15.406 1.00 0.00 C ATOM 557 CG ASP A 36 28.234 -7.936 -16.877 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.059 -7.006 -17.697 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.244 -9.152 -17.163 1.00 0.00 O ATOM 0 H ASP A 36 26.894 -5.633 -16.685 1.00 0.00 H new ATOM 0 HA ASP A 36 28.064 -5.997 -14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.486 -7.794 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.817 -8.199 -14.784 1.00 0.00 H new ATOM 564 N THR A 37 29.038 -4.128 -16.252 1.00 0.00 N ATOM 565 CA THR A 37 30.016 -3.105 -16.604 1.00 0.00 C ATOM 566 C THR A 37 29.507 -1.706 -16.293 1.00 0.00 C ATOM 567 O THR A 37 28.302 -1.455 -16.352 1.00 0.00 O ATOM 568 CB THR A 37 30.491 -3.233 -18.054 1.00 0.00 C ATOM 569 OG1 THR A 37 29.576 -2.594 -18.911 1.00 0.00 O ATOM 570 CG2 THR A 37 30.646 -4.694 -18.471 1.00 0.00 C ATOM 0 H THR A 37 28.113 -3.965 -16.649 1.00 0.00 H new ATOM 0 HA THR A 37 30.889 -3.274 -15.974 1.00 0.00 H new ATOM 0 HB THR A 37 31.468 -2.756 -18.128 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.884 -2.676 -19.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.984 -4.743 -19.506 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.378 -5.181 -17.826 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.686 -5.203 -18.379 1.00 0.00 H new ATOM 578 N VAL A 38 30.417 -0.789 -15.955 1.00 0.00 N ATOM 579 CA VAL A 38 30.007 0.529 -15.501 1.00 0.00 C ATOM 580 C VAL A 38 29.516 1.431 -16.626 1.00 0.00 C ATOM 581 O VAL A 38 28.739 2.349 -16.382 1.00 0.00 O ATOM 582 CB VAL A 38 31.096 1.170 -14.636 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.181 1.869 -15.449 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.434 2.211 -13.745 1.00 0.00 C ATOM 0 H VAL A 38 31.426 -0.937 -15.988 1.00 0.00 H new ATOM 0 HA VAL A 38 29.131 0.394 -14.866 1.00 0.00 H new ATOM 0 HB VAL A 38 31.576 0.371 -14.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.920 2.301 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.667 1.146 -16.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.733 2.660 -16.050 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.188 2.685 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.952 2.967 -14.365 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.687 1.728 -13.114 1.00 0.00 H new ATOM 594 N ALA A 39 29.960 1.172 -17.856 1.00 0.00 N ATOM 595 CA ALA A 39 29.446 1.897 -19.003 1.00 0.00 C ATOM 596 C ALA A 39 27.998 1.484 -19.263 1.00 0.00 C ATOM 597 O ALA A 39 27.224 2.257 -19.826 1.00 0.00 O ATOM 598 CB ALA A 39 30.326 1.600 -20.216 1.00 0.00 C ATOM 0 H ALA A 39 30.668 0.471 -18.076 1.00 0.00 H new ATOM 0 HA ALA A 39 29.465 2.970 -18.810 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.946 2.141 -21.082 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.348 1.917 -20.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.312 0.530 -20.422 1.00 0.00 H new ATOM 604 N GLY A 40 27.632 0.265 -18.849 1.00 0.00 N ATOM 605 CA GLY A 40 26.258 -0.203 -18.936 1.00 0.00 C ATOM 606 C GLY A 40 25.440 0.339 -17.769 1.00 0.00 C ATOM 607 O GLY A 40 24.242 0.576 -17.904 1.00 0.00 O ATOM 0 H GLY A 40 28.279 -0.414 -18.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.816 0.118 -19.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.237 -1.293 -18.929 1.00 0.00 H new ATOM 611 N ALA A 41 26.089 0.539 -16.618 1.00 0.00 N ATOM 612 CA ALA A 41 25.414 1.062 -15.437 1.00 0.00 C ATOM 613 C ALA A 41 25.135 2.555 -15.608 1.00 0.00 C ATOM 614 O ALA A 41 24.109 3.052 -15.142 1.00 0.00 O ATOM 615 CB ALA A 41 26.292 0.803 -14.213 1.00 0.00 C ATOM 0 H ALA A 41 27.081 0.345 -16.484 1.00 0.00 H new ATOM 0 HA ALA A 41 24.456 0.560 -15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.798 1.190 -13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.454 -0.269 -14.101 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.252 1.303 -14.341 1.00 0.00 H new ATOM 621 N LEU A 42 26.044 3.271 -16.274 1.00 0.00 N ATOM 622 CA LEU A 42 25.853 4.678 -16.583 1.00 0.00 C ATOM 623 C LEU A 42 24.757 4.830 -17.637 1.00 0.00 C ATOM 624 O LEU A 42 24.005 5.799 -17.613 1.00 0.00 O ATOM 625 CB LEU A 42 27.172 5.262 -17.110 1.00 0.00 C ATOM 626 CG LEU A 42 28.159 5.532 -15.970 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.551 5.770 -16.554 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.734 6.768 -15.180 1.00 0.00 C ATOM 0 H LEU A 42 26.927 2.888 -16.610 1.00 0.00 H new ATOM 0 HA LEU A 42 25.553 5.214 -15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.619 4.570 -17.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.972 6.189 -17.647 1.00 0.00 H new ATOM 0 HG LEU A 42 28.172 4.669 -15.304 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.257 5.963 -15.746 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.868 4.888 -17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.523 6.630 -17.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.445 6.947 -14.374 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.712 7.633 -15.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.741 6.607 -14.759 1.00 0.00 H new ATOM 640 N ALA A 43 24.667 3.871 -18.560 1.00 0.00 N ATOM 641 CA ALA A 43 23.662 3.909 -19.613 1.00 0.00 C ATOM 642 C ALA A 43 22.275 3.573 -19.058 1.00 0.00 C ATOM 643 O ALA A 43 21.269 3.989 -19.627 1.00 0.00 O ATOM 644 CB ALA A 43 24.065 2.916 -20.703 1.00 0.00 C ATOM 0 H ALA A 43 25.282 3.058 -18.596 1.00 0.00 H new ATOM 0 HA ALA A 43 23.608 4.914 -20.031 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.323 2.931 -21.501 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.038 3.195 -21.107 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.122 1.913 -20.279 1.00 0.00 H new ATOM 650 N ARG A 44 22.213 2.825 -17.952 1.00 0.00 N ATOM 651 CA ARG A 44 20.948 2.438 -17.337 1.00 0.00 C ATOM 652 C ARG A 44 20.385 3.533 -16.439 1.00 0.00 C ATOM 653 O ARG A 44 19.182 3.772 -16.454 1.00 0.00 O ATOM 654 CB ARG A 44 21.149 1.141 -16.544 1.00 0.00 C ATOM 655 CG ARG A 44 21.068 -0.097 -17.447 1.00 0.00 C ATOM 656 CD ARG A 44 19.666 -0.223 -18.047 1.00 0.00 C ATOM 657 NE ARG A 44 19.461 -1.549 -18.644 1.00 0.00 N ATOM 658 CZ ARG A 44 18.359 -2.284 -18.467 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.351 -1.827 -17.732 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.262 -3.485 -19.027 1.00 0.00 N ATOM 0 H ARG A 44 23.036 2.474 -17.463 1.00 0.00 H new ATOM 0 HA ARG A 44 20.219 2.278 -18.131 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.119 1.165 -16.047 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.392 1.071 -15.763 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.807 -0.023 -18.244 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.307 -0.992 -16.872 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.919 -0.051 -17.272 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.522 0.546 -18.805 1.00 0.00 H new ATOM 0 HE ARG A 44 20.204 -1.932 -19.229 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.414 -0.907 -17.296 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.514 -2.396 -17.603 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.029 -3.847 -19.593 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.420 -4.045 -18.891 1.00 0.00 H new ATOM 674 N VAL A 45 21.241 4.199 -15.660 1.00 0.00 N ATOM 675 CA VAL A 45 20.775 5.263 -14.775 1.00 0.00 C ATOM 676 C VAL A 45 20.382 6.521 -15.554 1.00 0.00 C ATOM 677 O VAL A 45 19.584 7.323 -15.071 1.00 0.00 O ATOM 678 CB VAL A 45 21.821 5.546 -13.689 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.069 6.223 -14.245 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.226 6.453 -12.613 1.00 0.00 C ATOM 0 H VAL A 45 22.245 4.022 -15.625 1.00 0.00 H new ATOM 0 HA VAL A 45 19.866 4.924 -14.278 1.00 0.00 H new ATOM 0 HB VAL A 45 22.107 4.580 -13.272 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.777 6.401 -13.436 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.529 5.579 -14.995 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.794 7.173 -14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.976 6.648 -11.846 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.913 7.395 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.364 5.963 -12.161 1.00 0.00 H new ATOM 690 N GLU A 46 20.934 6.700 -16.760 1.00 0.00 N ATOM 691 CA GLU A 46 20.577 7.831 -17.606 1.00 0.00 C ATOM 692 C GLU A 46 19.224 7.630 -18.292 1.00 0.00 C ATOM 693 O GLU A 46 18.648 8.586 -18.809 1.00 0.00 O ATOM 694 CB GLU A 46 21.682 8.057 -18.644 1.00 0.00 C ATOM 695 CG GLU A 46 22.899 8.709 -17.980 1.00 0.00 C ATOM 696 CD GLU A 46 22.616 10.147 -17.534 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.578 10.699 -17.960 1.00 0.00 O ATOM 698 OE2 GLU A 46 23.448 10.683 -16.769 1.00 0.00 O ATOM 0 H GLU A 46 21.629 6.073 -17.166 1.00 0.00 H new ATOM 0 HA GLU A 46 20.482 8.714 -16.974 1.00 0.00 H new ATOM 0 HB2 GLU A 46 21.969 7.107 -19.095 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.312 8.693 -19.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.201 8.116 -17.117 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.736 8.705 -18.678 1.00 0.00 H new ATOM 705 N ASP A 47 18.703 6.399 -18.301 1.00 0.00 N ATOM 706 CA ASP A 47 17.367 6.138 -18.823 1.00 0.00 C ATOM 707 C ASP A 47 16.273 6.659 -17.891 1.00 0.00 C ATOM 708 O ASP A 47 15.129 6.833 -18.306 1.00 0.00 O ATOM 709 CB ASP A 47 17.181 4.644 -19.118 1.00 0.00 C ATOM 710 CG ASP A 47 17.994 4.189 -20.330 1.00 0.00 C ATOM 711 OD1 ASP A 47 18.059 2.957 -20.538 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.542 5.067 -21.035 1.00 0.00 O ATOM 0 H ASP A 47 19.188 5.572 -17.953 1.00 0.00 H new ATOM 0 HA ASP A 47 17.271 6.687 -19.760 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.478 4.063 -18.245 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.125 4.439 -19.293 1.00 0.00 H new ATOM 717 N GLY A 48 16.635 6.908 -16.627 1.00 0.00 N ATOM 718 CA GLY A 48 15.729 7.493 -15.648 1.00 0.00 C ATOM 719 C GLY A 48 14.609 6.531 -15.256 1.00 0.00 C ATOM 720 O GLY A 48 14.587 5.375 -15.680 1.00 0.00 O ATOM 0 H GLY A 48 17.565 6.707 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.291 7.776 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.296 8.406 -16.056 1.00 0.00 H new ATOM 724 N GLY A 49 13.674 7.023 -14.436 1.00 0.00 N ATOM 725 CA GLY A 49 12.542 6.231 -13.962 1.00 0.00 C ATOM 726 C GLY A 49 12.948 5.260 -12.857 1.00 0.00 C ATOM 727 O GLY A 49 12.106 4.532 -12.337 1.00 0.00 O ATOM 0 H GLY A 49 13.684 7.981 -14.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.763 6.897 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.115 5.674 -14.796 1.00 0.00 H new ATOM 731 N ILE A 50 14.235 5.247 -12.498 1.00 0.00 N ATOM 732 CA ILE A 50 14.758 4.364 -11.466 1.00 0.00 C ATOM 733 C ILE A 50 14.704 5.058 -10.104 1.00 0.00 C ATOM 734 O ILE A 50 14.974 6.254 -10.004 1.00 0.00 O ATOM 735 CB ILE A 50 16.186 3.939 -11.835 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.167 3.199 -13.179 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.771 3.040 -10.742 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.586 2.955 -13.694 1.00 0.00 C ATOM 0 H ILE A 50 14.940 5.852 -12.919 1.00 0.00 H new ATOM 0 HA ILE A 50 14.144 3.466 -11.398 1.00 0.00 H new ATOM 0 HB ILE A 50 16.814 4.826 -11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.649 2.247 -13.066 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.607 3.781 -13.910 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.784 2.746 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.794 3.584 -9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.152 2.150 -10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.542 2.429 -14.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.093 3.910 -13.830 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.136 2.352 -12.972 1.00 0.00 H new ATOM 750 N ASP A 51 14.352 4.306 -9.058 1.00 0.00 N ATOM 751 CA ASP A 51 14.226 4.845 -7.711 1.00 0.00 C ATOM 752 C ASP A 51 15.546 4.729 -6.948 1.00 0.00 C ATOM 753 O ASP A 51 15.878 5.612 -6.164 1.00 0.00 O ATOM 754 CB ASP A 51 13.134 4.075 -6.956 1.00 0.00 C ATOM 755 CG ASP A 51 11.780 4.112 -7.667 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.944 3.242 -7.329 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.589 4.999 -8.528 1.00 0.00 O ATOM 0 H ASP A 51 14.148 3.309 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 51 13.961 5.900 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.446 3.038 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.025 4.495 -5.956 1.00 0.00 H new ATOM 762 N ALA A 52 16.295 3.646 -7.182 1.00 0.00 N ATOM 763 CA ALA A 52 17.548 3.384 -6.486 1.00 0.00 C ATOM 764 C ALA A 52 18.370 2.348 -7.260 1.00 0.00 C ATOM 765 O ALA A 52 17.897 1.792 -8.247 1.00 0.00 O ATOM 766 CB ALA A 52 17.239 2.879 -5.080 1.00 0.00 C ATOM 0 H ALA A 52 16.044 2.928 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 52 18.132 4.302 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.171 2.680 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.669 3.635 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.655 1.961 -5.143 1.00 0.00 H new ATOM 772 N ALA A 53 19.601 2.086 -6.813 1.00 0.00 N ATOM 773 CA ALA A 53 20.461 1.116 -7.477 1.00 0.00 C ATOM 774 C ALA A 53 21.392 0.420 -6.481 1.00 0.00 C ATOM 775 O ALA A 53 21.518 0.844 -5.334 1.00 0.00 O ATOM 776 CB ALA A 53 21.265 1.816 -8.573 1.00 0.00 C ATOM 0 H ALA A 53 20.019 2.533 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 53 19.835 0.345 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.909 1.091 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.583 2.255 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.877 2.601 -8.130 1.00 0.00 H new ATOM 782 N ILE A 54 22.049 -0.654 -6.934 1.00 0.00 N ATOM 783 CA ILE A 54 23.009 -1.408 -6.133 1.00 0.00 C ATOM 784 C ILE A 54 24.305 -1.549 -6.931 1.00 0.00 C ATOM 785 O ILE A 54 24.257 -1.699 -8.151 1.00 0.00 O ATOM 786 CB ILE A 54 22.421 -2.772 -5.746 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.013 -2.595 -5.157 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.351 -3.461 -4.742 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.419 -3.928 -4.709 1.00 0.00 C ATOM 0 H ILE A 54 21.925 -1.024 -7.876 1.00 0.00 H new ATOM 0 HA ILE A 54 23.228 -0.881 -5.204 1.00 0.00 H new ATOM 0 HB ILE A 54 22.338 -3.398 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.056 -1.912 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.361 -2.138 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.935 -4.430 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.333 -3.603 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.448 -2.841 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.423 -3.763 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.352 -4.602 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.057 -4.373 -3.945 1.00 0.00 H new ATOM 801 N LEU A 55 25.460 -1.499 -6.255 1.00 0.00 N ATOM 802 CA LEU A 55 26.750 -1.438 -6.937 1.00 0.00 C ATOM 803 C LEU A 55 27.819 -2.278 -6.240 1.00 0.00 C ATOM 804 O LEU A 55 28.016 -2.159 -5.035 1.00 0.00 O ATOM 805 CB LEU A 55 27.191 0.027 -7.014 1.00 0.00 C ATOM 806 CG LEU A 55 28.515 0.190 -7.769 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.372 -0.254 -9.222 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.925 1.659 -7.735 1.00 0.00 C ATOM 0 H LEU A 55 25.523 -1.500 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 55 26.631 -1.856 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.417 0.613 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.297 0.427 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 55 29.271 -0.431 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.325 -0.129 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.077 -1.303 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.611 0.352 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.866 1.786 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.153 2.263 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.049 1.978 -6.700 1.00 0.00 H new ATOM 820 N ASP A 56 28.511 -3.124 -7.007 1.00 0.00 N ATOM 821 CA ASP A 56 29.608 -3.947 -6.500 1.00 0.00 C ATOM 822 C ASP A 56 30.875 -3.086 -6.453 1.00 0.00 C ATOM 823 O ASP A 56 31.026 -2.153 -7.239 1.00 0.00 O ATOM 824 CB ASP A 56 29.786 -5.135 -7.453 1.00 0.00 C ATOM 825 CG ASP A 56 30.666 -6.246 -6.880 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.200 -6.061 -5.763 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.793 -7.282 -7.572 1.00 0.00 O ATOM 0 H ASP A 56 28.324 -3.257 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 56 29.402 -4.321 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.806 -5.546 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.223 -4.780 -8.386 1.00 0.00 H new ATOM 832 N VAL A 57 31.789 -3.399 -5.528 1.00 0.00 N ATOM 833 CA VAL A 57 33.034 -2.650 -5.376 1.00 0.00 C ATOM 834 C VAL A 57 33.880 -2.777 -6.640 1.00 0.00 C ATOM 835 O VAL A 57 34.656 -1.876 -6.956 1.00 0.00 O ATOM 836 CB VAL A 57 33.801 -3.205 -4.172 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.181 -2.556 -4.050 1.00 0.00 C ATOM 838 CG2 VAL A 57 33.017 -2.926 -2.897 1.00 0.00 C ATOM 0 H VAL A 57 31.685 -4.172 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 57 32.811 -1.595 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 57 33.927 -4.278 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.702 -2.969 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.758 -2.756 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 57 35.067 -1.479 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.563 -3.321 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.885 -1.850 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.041 -3.406 -2.958 1.00 0.00 H new ATOM 848 N ASN A 58 33.729 -3.891 -7.360 1.00 0.00 N ATOM 849 CA ASN A 58 34.430 -4.106 -8.615 1.00 0.00 C ATOM 850 C ASN A 58 33.531 -4.831 -9.605 1.00 0.00 C ATOM 851 O ASN A 58 32.779 -5.728 -9.227 1.00 0.00 O ATOM 852 CB ASN A 58 35.740 -4.862 -8.378 1.00 0.00 C ATOM 853 CG ASN A 58 35.587 -5.997 -7.373 1.00 0.00 C ATOM 854 OD1 ASN A 58 34.957 -7.012 -7.660 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.167 -5.832 -6.188 1.00 0.00 N ATOM 0 H ASN A 58 33.120 -4.662 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 58 34.686 -3.139 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 58 36.099 -5.266 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.498 -4.165 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 58 36.097 -6.563 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.682 -4.975 -5.987 1.00 0.00 H new ATOM 862 N LEU A 59 33.611 -4.430 -10.870 1.00 0.00 N ATOM 863 CA LEU A 59 32.775 -4.967 -11.931 1.00 0.00 C ATOM 864 C LEU A 59 33.610 -5.902 -12.807 1.00 0.00 C ATOM 865 O LEU A 59 34.712 -6.284 -12.420 1.00 0.00 O ATOM 866 CB LEU A 59 32.190 -3.792 -12.725 1.00 0.00 C ATOM 867 CG LEU A 59 30.836 -3.352 -12.157 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.931 -3.000 -10.676 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.363 -2.119 -12.912 1.00 0.00 C ATOM 0 H LEU A 59 34.266 -3.715 -11.188 1.00 0.00 H new ATOM 0 HA LEU A 59 31.948 -5.552 -11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.886 -2.953 -12.702 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.072 -4.080 -13.770 1.00 0.00 H new ATOM 0 HG LEU A 59 30.138 -4.181 -12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.951 -2.693 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.270 -3.871 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.640 -2.183 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.400 -1.797 -12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.091 -1.317 -12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.258 -2.358 -13.970 1.00 0.00 H new ATOM 881 N ARG A 60 33.090 -6.268 -13.981 1.00 0.00 N ATOM 882 CA ARG A 60 33.770 -7.179 -14.889 1.00 0.00 C ATOM 883 C ARG A 60 35.211 -6.721 -15.108 1.00 0.00 C ATOM 884 O ARG A 60 35.472 -5.530 -15.275 1.00 0.00 O ATOM 885 CB ARG A 60 33.002 -7.219 -16.211 1.00 0.00 C ATOM 886 CG ARG A 60 33.342 -8.478 -17.011 1.00 0.00 C ATOM 887 CD ARG A 60 32.657 -9.678 -16.361 1.00 0.00 C ATOM 888 NE ARG A 60 32.907 -10.910 -17.114 1.00 0.00 N ATOM 889 CZ ARG A 60 32.749 -12.133 -16.593 1.00 0.00 C ATOM 890 NH1 ARG A 60 32.336 -12.290 -15.339 1.00 0.00 N ATOM 891 NH2 ARG A 60 33.012 -13.204 -17.336 1.00 0.00 N ATOM 0 H ARG A 60 32.187 -5.939 -14.323 1.00 0.00 H new ATOM 0 HA ARG A 60 33.799 -8.181 -14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.931 -7.189 -16.013 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.242 -6.334 -16.801 1.00 0.00 H new ATOM 0 HG2 ARG A 60 33.011 -8.369 -18.044 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.421 -8.628 -17.036 1.00 0.00 H new ATOM 0 HD2 ARG A 60 33.018 -9.795 -15.339 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.584 -9.498 -16.302 1.00 0.00 H new ATOM 0 HE ARG A 60 33.217 -10.832 -18.083 1.00 0.00 H new ATOM 0 HH11 ARG A 60 32.136 -11.473 -14.762 1.00 0.00 H new ATOM 0 HH12 ARG A 60 32.220 -13.227 -14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.332 -13.091 -18.298 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.893 -14.138 -16.944 1.00 0.00 H new ATOM 905 N GLY A 61 36.146 -7.672 -15.105 1.00 0.00 N ATOM 906 CA GLY A 61 37.568 -7.375 -15.232 1.00 0.00 C ATOM 907 C GLY A 61 38.191 -7.022 -13.879 1.00 0.00 C ATOM 908 O GLY A 61 39.397 -6.803 -13.794 1.00 0.00 O ATOM 0 H GLY A 61 35.937 -8.666 -15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.084 -8.236 -15.658 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.707 -6.545 -15.925 1.00 0.00 H new ATOM 912 N GLY A 62 37.371 -6.967 -12.823 1.00 0.00 N ATOM 913 CA GLY A 62 37.834 -6.710 -11.467 1.00 0.00 C ATOM 914 C GLY A 62 38.172 -5.237 -11.237 1.00 0.00 C ATOM 915 O GLY A 62 38.686 -4.887 -10.174 1.00 0.00 O ATOM 0 H GLY A 62 36.362 -7.101 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.065 -7.019 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.716 -7.318 -11.265 1.00 0.00 H new ATOM 919 N GLU A 63 37.895 -4.369 -12.214 1.00 0.00 N ATOM 920 CA GLU A 63 38.207 -2.950 -12.089 1.00 0.00 C ATOM 921 C GLU A 63 37.221 -2.262 -11.142 1.00 0.00 C ATOM 922 O GLU A 63 36.034 -2.598 -11.115 1.00 0.00 O ATOM 923 CB GLU A 63 38.192 -2.297 -13.478 1.00 0.00 C ATOM 924 CG GLU A 63 38.625 -0.827 -13.415 1.00 0.00 C ATOM 925 CD GLU A 63 40.122 -0.666 -13.121 1.00 0.00 C ATOM 926 OE1 GLU A 63 40.807 -1.703 -12.951 1.00 0.00 O ATOM 927 OE2 GLU A 63 40.569 0.501 -13.068 1.00 0.00 O ATOM 0 H GLU A 63 37.456 -4.627 -13.098 1.00 0.00 H new ATOM 0 HA GLU A 63 39.204 -2.837 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.857 -2.845 -14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.190 -2.364 -13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.390 -0.342 -14.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 38.050 -0.315 -12.644 1.00 0.00 H new ATOM 934 N LYS A 64 37.720 -1.295 -10.367 1.00 0.00 N ATOM 935 CA LYS A 64 36.902 -0.513 -9.451 1.00 0.00 C ATOM 936 C LYS A 64 35.934 0.370 -10.231 1.00 0.00 C ATOM 937 O LYS A 64 36.265 0.846 -11.317 1.00 0.00 O ATOM 938 CB LYS A 64 37.828 0.330 -8.571 1.00 0.00 C ATOM 939 CG LYS A 64 37.042 1.207 -7.597 1.00 0.00 C ATOM 940 CD LYS A 64 38.024 2.042 -6.775 1.00 0.00 C ATOM 941 CE LYS A 64 37.264 2.912 -5.772 1.00 0.00 C ATOM 942 NZ LYS A 64 38.194 3.694 -4.938 1.00 0.00 N ATOM 0 H LYS A 64 38.706 -1.036 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 64 36.308 -1.174 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.495 -0.326 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.455 0.960 -9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.360 1.858 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.433 0.587 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.718 1.387 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.620 2.671 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.594 3.586 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 64 36.643 2.281 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.699 4.030 -4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 38.996 3.095 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.544 4.510 -5.480 1.00 0.00 H new ATOM 956 N SER A 65 34.739 0.592 -9.682 1.00 0.00 N ATOM 957 CA SER A 65 33.724 1.413 -10.324 1.00 0.00 C ATOM 958 C SER A 65 32.899 2.158 -9.278 1.00 0.00 C ATOM 959 O SER A 65 32.295 1.535 -8.405 1.00 0.00 O ATOM 960 CB SER A 65 32.810 0.524 -11.167 1.00 0.00 C ATOM 961 OG SER A 65 33.522 0.010 -12.274 1.00 0.00 O ATOM 0 H SER A 65 34.453 0.207 -8.782 1.00 0.00 H new ATOM 0 HA SER A 65 34.215 2.146 -10.965 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.425 -0.295 -10.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.949 1.097 -11.512 1.00 0.00 H new ATOM 0 HG SER A 65 33.665 -0.952 -12.153 1.00 0.00 H new ATOM 967 N THR A 66 32.872 3.489 -9.370 1.00 0.00 N ATOM 968 CA THR A 66 32.020 4.336 -8.540 1.00 0.00 C ATOM 969 C THR A 66 31.313 5.496 -9.255 1.00 0.00 C ATOM 970 O THR A 66 30.693 6.313 -8.575 1.00 0.00 O ATOM 971 CB THR A 66 32.762 4.841 -7.295 1.00 0.00 C ATOM 972 OG1 THR A 66 33.409 6.059 -7.589 1.00 0.00 O ATOM 973 CG2 THR A 66 33.809 3.854 -6.792 1.00 0.00 C ATOM 0 H THR A 66 33.447 4.012 -10.030 1.00 0.00 H new ATOM 0 HA THR A 66 31.214 3.665 -8.244 1.00 0.00 H new ATOM 0 HB THR A 66 32.012 4.969 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 33.880 6.380 -6.792 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.302 4.264 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.326 2.912 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.549 3.679 -7.573 1.00 0.00 H new ATOM 981 N PRO A 67 31.366 5.624 -10.595 1.00 0.00 N ATOM 982 CA PRO A 67 30.833 6.790 -11.277 1.00 0.00 C ATOM 983 C PRO A 67 29.309 6.829 -11.171 1.00 0.00 C ATOM 984 O PRO A 67 28.714 7.900 -11.287 1.00 0.00 O ATOM 985 CB PRO A 67 31.280 6.655 -12.735 1.00 0.00 C ATOM 986 CG PRO A 67 31.439 5.153 -12.916 1.00 0.00 C ATOM 987 CD PRO A 67 31.916 4.681 -11.547 1.00 0.00 C ATOM 0 HA PRO A 67 31.195 7.718 -10.834 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.541 7.067 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.215 7.183 -12.919 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.498 4.680 -13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.162 4.917 -13.697 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.570 3.668 -11.340 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.005 4.663 -11.496 1.00 0.00 H new ATOM 995 N VAL A 68 28.675 5.671 -10.947 1.00 0.00 N ATOM 996 CA VAL A 68 27.228 5.606 -10.801 1.00 0.00 C ATOM 997 C VAL A 68 26.800 5.837 -9.360 1.00 0.00 C ATOM 998 O VAL A 68 25.706 6.337 -9.124 1.00 0.00 O ATOM 999 CB VAL A 68 26.689 4.275 -11.323 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.163 4.042 -12.756 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.128 3.106 -10.446 1.00 0.00 C ATOM 0 H VAL A 68 29.147 4.771 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 68 26.800 6.408 -11.402 1.00 0.00 H new ATOM 0 HB VAL A 68 25.601 4.329 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.773 3.091 -13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.802 4.849 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.253 4.020 -12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.725 2.177 -10.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.217 3.052 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.756 3.252 -9.432 1.00 0.00 H new ATOM 1011 N ALA A 69 27.641 5.484 -8.389 1.00 0.00 N ATOM 1012 CA ALA A 69 27.310 5.744 -6.998 1.00 0.00 C ATOM 1013 C ALA A 69 27.445 7.234 -6.714 1.00 0.00 C ATOM 1014 O ALA A 69 26.740 7.783 -5.868 1.00 0.00 O ATOM 1015 CB ALA A 69 28.239 4.924 -6.112 1.00 0.00 C ATOM 0 H ALA A 69 28.540 5.026 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 69 26.281 5.454 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.001 5.110 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.109 3.864 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.273 5.210 -6.306 1.00 0.00 H new ATOM 1021 N GLU A 70 28.359 7.894 -7.430 1.00 0.00 N ATOM 1022 CA GLU A 70 28.515 9.340 -7.358 1.00 0.00 C ATOM 1023 C GLU A 70 27.379 10.016 -8.125 1.00 0.00 C ATOM 1024 O GLU A 70 26.967 11.125 -7.783 1.00 0.00 O ATOM 1025 CB GLU A 70 29.869 9.732 -7.955 1.00 0.00 C ATOM 1026 CG GLU A 70 31.025 9.233 -7.078 1.00 0.00 C ATOM 1027 CD GLU A 70 31.150 10.019 -5.774 1.00 0.00 C ATOM 1028 OE1 GLU A 70 30.406 11.011 -5.610 1.00 0.00 O ATOM 1029 OE2 GLU A 70 31.999 9.618 -4.945 1.00 0.00 O ATOM 0 H GLU A 70 29.007 7.438 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 70 28.477 9.665 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 70 29.962 9.314 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.926 10.816 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.875 8.178 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.959 9.309 -7.635 1.00 0.00 H new ATOM 1036 N ALA A 71 26.867 9.347 -9.161 1.00 0.00 N ATOM 1037 CA ALA A 71 25.757 9.857 -9.948 1.00 0.00 C ATOM 1038 C ALA A 71 24.446 9.731 -9.171 1.00 0.00 C ATOM 1039 O ALA A 71 23.570 10.583 -9.304 1.00 0.00 O ATOM 1040 CB ALA A 71 25.679 9.082 -11.263 1.00 0.00 C ATOM 0 H ALA A 71 27.214 8.440 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 71 25.919 10.914 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.848 9.459 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.610 9.209 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.524 8.024 -11.053 1.00 0.00 H new ATOM 1046 N LEU A 72 24.315 8.672 -8.365 1.00 0.00 N ATOM 1047 CA LEU A 72 23.116 8.453 -7.565 1.00 0.00 C ATOM 1048 C LEU A 72 23.049 9.502 -6.455 1.00 0.00 C ATOM 1049 O LEU A 72 21.965 9.937 -6.073 1.00 0.00 O ATOM 1050 CB LEU A 72 23.151 7.039 -6.960 1.00 0.00 C ATOM 1051 CG LEU A 72 22.677 5.924 -7.911 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.300 5.431 -7.476 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.577 6.341 -9.375 1.00 0.00 C ATOM 0 H LEU A 72 25.030 7.953 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 72 22.231 8.544 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.170 6.819 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.528 7.025 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 72 23.438 5.147 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.966 4.642 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.358 5.040 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.591 6.258 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.236 5.495 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.867 7.162 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.556 6.664 -9.729 1.00 0.00 H new ATOM 1065 N ALA A 73 24.210 9.916 -5.939 1.00 0.00 N ATOM 1066 CA ALA A 73 24.270 10.927 -4.899 1.00 0.00 C ATOM 1067 C ALA A 73 23.939 12.312 -5.467 1.00 0.00 C ATOM 1068 O ALA A 73 23.402 13.155 -4.754 1.00 0.00 O ATOM 1069 CB ALA A 73 25.673 10.920 -4.290 1.00 0.00 C ATOM 0 H ALA A 73 25.120 9.560 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 73 23.532 10.701 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.733 11.675 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.880 9.938 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.407 11.142 -5.065 1.00 0.00 H new ATOM 1075 N ALA A 74 24.256 12.545 -6.743 1.00 0.00 N ATOM 1076 CA ALA A 74 23.976 13.818 -7.394 1.00 0.00 C ATOM 1077 C ALA A 74 22.525 13.882 -7.875 1.00 0.00 C ATOM 1078 O ALA A 74 21.958 14.969 -7.986 1.00 0.00 O ATOM 1079 CB ALA A 74 24.938 13.989 -8.569 1.00 0.00 C ATOM 0 H ALA A 74 24.710 11.860 -7.346 1.00 0.00 H new ATOM 0 HA ALA A 74 24.118 14.628 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.740 14.939 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.965 13.978 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.797 13.172 -9.277 1.00 0.00 H new ATOM 1085 N ARG A 75 21.924 12.721 -8.156 1.00 0.00 N ATOM 1086 CA ARG A 75 20.541 12.622 -8.612 1.00 0.00 C ATOM 1087 C ARG A 75 19.580 12.445 -7.441 1.00 0.00 C ATOM 1088 O ARG A 75 18.383 12.245 -7.649 1.00 0.00 O ATOM 1089 CB ARG A 75 20.426 11.479 -9.621 1.00 0.00 C ATOM 1090 CG ARG A 75 21.129 11.873 -10.923 1.00 0.00 C ATOM 1091 CD ARG A 75 21.445 10.625 -11.756 1.00 0.00 C ATOM 1092 NE ARG A 75 22.130 10.964 -13.013 1.00 0.00 N ATOM 1093 CZ ARG A 75 23.337 11.538 -13.087 1.00 0.00 C ATOM 1094 NH1 ARG A 75 24.009 11.856 -11.984 1.00 0.00 N ATOM 1095 NH2 ARG A 75 23.884 11.793 -14.268 1.00 0.00 N ATOM 0 H ARG A 75 22.391 11.818 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 75 20.258 13.553 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.875 10.573 -9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.377 11.256 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.495 12.550 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.050 12.411 -10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.070 9.948 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.520 10.093 -11.979 1.00 0.00 H new ATOM 0 HE ARG A 75 21.653 10.747 -13.888 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.605 11.663 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.928 12.293 -12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.385 11.552 -15.124 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.804 12.231 -14.320 1.00 0.00 H new ATOM 1109 N ASP A 76 20.104 12.513 -6.213 1.00 0.00 N ATOM 1110 CA ASP A 76 19.315 12.396 -4.997 1.00 0.00 C ATOM 1111 C ASP A 76 18.483 11.108 -4.987 1.00 0.00 C ATOM 1112 O ASP A 76 17.302 11.123 -4.644 1.00 0.00 O ATOM 1113 CB ASP A 76 18.469 13.659 -4.810 1.00 0.00 C ATOM 1114 CG ASP A 76 17.658 13.639 -3.512 1.00 0.00 C ATOM 1115 OD1 ASP A 76 18.077 12.925 -2.571 1.00 0.00 O ATOM 1116 OD2 ASP A 76 16.623 14.341 -3.476 1.00 0.00 O ATOM 0 H ASP A 76 21.100 12.653 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 76 19.984 12.317 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.121 14.532 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.790 13.766 -5.656 1.00 0.00 H new ATOM 1121 N ILE A 77 19.104 9.985 -5.364 1.00 0.00 N ATOM 1122 CA ILE A 77 18.461 8.678 -5.317 1.00 0.00 C ATOM 1123 C ILE A 77 19.318 7.725 -4.477 1.00 0.00 C ATOM 1124 O ILE A 77 20.542 7.751 -4.594 1.00 0.00 O ATOM 1125 CB ILE A 77 18.226 8.123 -6.726 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.252 8.664 -7.728 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.819 8.513 -7.179 1.00 0.00 C ATOM 1128 CD1 ILE A 77 19.076 8.026 -9.108 1.00 0.00 C ATOM 0 H ILE A 77 20.064 9.962 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 77 17.481 8.779 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 77 18.335 7.039 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.147 9.746 -7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.259 8.468 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.638 8.124 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.086 8.094 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.728 9.599 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.819 8.432 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.206 6.947 -9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.077 8.244 -9.485 1.00 0.00 H new ATOM 1140 N PRO A 78 18.703 6.887 -3.630 1.00 0.00 N ATOM 1141 CA PRO A 78 19.416 6.012 -2.715 1.00 0.00 C ATOM 1142 C PRO A 78 20.240 4.959 -3.454 1.00 0.00 C ATOM 1143 O PRO A 78 19.933 4.599 -4.586 1.00 0.00 O ATOM 1144 CB PRO A 78 18.345 5.349 -1.843 1.00 0.00 C ATOM 1145 CG PRO A 78 17.089 6.199 -2.050 1.00 0.00 C ATOM 1146 CD PRO A 78 17.271 6.750 -3.458 1.00 0.00 C ATOM 0 HA PRO A 78 20.129 6.582 -2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.176 4.315 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.643 5.333 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.181 5.603 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.017 6.997 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.848 6.076 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.767 7.709 -3.574 1.00 0.00 H new ATOM 1154 N PHE A 79 21.293 4.462 -2.798 1.00 0.00 N ATOM 1155 CA PHE A 79 22.167 3.448 -3.367 1.00 0.00 C ATOM 1156 C PHE A 79 22.732 2.500 -2.308 1.00 0.00 C ATOM 1157 O PHE A 79 23.015 2.926 -1.190 1.00 0.00 O ATOM 1158 CB PHE A 79 23.285 4.107 -4.185 1.00 0.00 C ATOM 1159 CG PHE A 79 24.046 5.190 -3.454 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.312 4.918 -2.914 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.497 6.476 -3.326 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.024 5.926 -2.250 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.208 7.480 -2.654 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.470 7.207 -2.118 1.00 0.00 C ATOM 0 H PHE A 79 21.558 4.756 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 79 21.564 2.833 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.989 3.337 -4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.852 4.533 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.738 3.930 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 79 22.526 6.692 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 79 27.001 5.716 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 79 23.780 8.466 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.018 7.982 -1.603 1.00 0.00 H new ATOM 1174 N VAL A 80 22.896 1.218 -2.661 1.00 0.00 N ATOM 1175 CA VAL A 80 23.533 0.225 -1.797 1.00 0.00 C ATOM 1176 C VAL A 80 24.816 -0.270 -2.457 1.00 0.00 C ATOM 1177 O VAL A 80 24.909 -0.315 -3.685 1.00 0.00 O ATOM 1178 CB VAL A 80 22.594 -0.964 -1.550 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.270 -2.010 -0.666 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.319 -0.570 -0.827 1.00 0.00 C ATOM 0 H VAL A 80 22.588 0.843 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 80 23.762 0.692 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 80 22.357 -1.351 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.588 -2.844 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.174 -2.371 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.531 -1.562 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.696 -1.452 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.569 -0.138 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.775 0.164 -1.422 1.00 0.00 H new ATOM 1190 N PHE A 81 25.805 -0.647 -1.646 1.00 0.00 N ATOM 1191 CA PHE A 81 26.987 -1.334 -2.139 1.00 0.00 C ATOM 1192 C PHE A 81 26.933 -2.848 -1.960 1.00 0.00 C ATOM 1193 O PHE A 81 26.198 -3.349 -1.110 1.00 0.00 O ATOM 1194 CB PHE A 81 28.266 -0.709 -1.586 1.00 0.00 C ATOM 1195 CG PHE A 81 28.696 0.529 -2.337 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.268 1.796 -1.913 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.525 0.410 -3.464 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.682 2.941 -2.612 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.945 1.554 -4.152 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.522 2.821 -3.728 1.00 0.00 C ATOM 0 H PHE A 81 25.805 -0.484 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 81 27.002 -1.188 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.115 -0.455 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.068 -1.446 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.623 1.890 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.839 -0.567 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.352 3.917 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.595 1.460 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.843 3.704 -4.260 1.00 0.00 H new ATOM 1210 N ALA A 82 27.710 -3.580 -2.756 1.00 0.00 N ATOM 1211 CA ALA A 82 27.752 -5.028 -2.675 1.00 0.00 C ATOM 1212 C ALA A 82 29.193 -5.498 -2.551 1.00 0.00 C ATOM 1213 O ALA A 82 30.096 -4.924 -3.160 1.00 0.00 O ATOM 1214 CB ALA A 82 27.055 -5.631 -3.891 1.00 0.00 C ATOM 0 H ALA A 82 28.322 -3.184 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 82 27.220 -5.367 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.088 -6.719 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.017 -5.301 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.562 -5.305 -4.799 1.00 0.00 H new ATOM 1220 N THR A 83 29.395 -6.548 -1.758 1.00 0.00 N ATOM 1221 CA THR A 83 30.708 -7.126 -1.502 1.00 0.00 C ATOM 1222 C THR A 83 30.476 -8.613 -1.239 1.00 0.00 C ATOM 1223 O THR A 83 29.335 -9.078 -1.226 1.00 0.00 O ATOM 1224 CB THR A 83 31.324 -6.473 -0.260 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.350 -6.303 0.740 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.901 -5.103 -0.599 1.00 0.00 C ATOM 0 H THR A 83 28.639 -7.027 -1.269 1.00 0.00 H new ATOM 0 HA THR A 83 31.385 -6.969 -2.342 1.00 0.00 H new ATOM 0 HB THR A 83 32.117 -7.130 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 83 29.681 -5.653 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 83 32.333 -4.658 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.675 -5.212 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 83 31.108 -4.458 -0.978 1.00 0.00 H new ATOM 1234 N GLY A 84 31.557 -9.361 -1.034 1.00 0.00 N ATOM 1235 CA GLY A 84 31.479 -10.786 -0.761 1.00 0.00 C ATOM 1236 C GLY A 84 32.785 -11.273 -0.139 1.00 0.00 C ATOM 1237 O GLY A 84 33.569 -10.471 0.366 1.00 0.00 O ATOM 0 H GLY A 84 32.508 -8.993 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.648 -10.990 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 84 31.281 -11.331 -1.684 1.00 0.00 H new ATOM 1241 N GLY A 85 33.025 -12.587 -0.173 1.00 0.00 N ATOM 1242 CA GLY A 85 34.254 -13.147 0.359 1.00 0.00 C ATOM 1243 C GLY A 85 35.462 -12.586 -0.391 1.00 0.00 C ATOM 1244 O GLY A 85 35.453 -12.514 -1.618 1.00 0.00 O ATOM 0 H GLY A 85 32.381 -13.275 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.337 -12.915 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.235 -14.233 0.270 1.00 0.00 H new ATOM 1248 N SER A 86 36.500 -12.189 0.359 1.00 0.00 N ATOM 1249 CA SER A 86 37.712 -11.576 -0.182 1.00 0.00 C ATOM 1250 C SER A 86 37.429 -10.309 -1.003 1.00 0.00 C ATOM 1251 O SER A 86 38.338 -9.780 -1.643 1.00 0.00 O ATOM 1252 CB SER A 86 38.497 -12.608 -0.993 1.00 0.00 C ATOM 1253 OG SER A 86 38.901 -13.673 -0.152 1.00 0.00 O ATOM 0 H SER A 86 36.517 -12.288 1.374 1.00 0.00 H new ATOM 0 HA SER A 86 38.319 -11.249 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.881 -12.989 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.370 -12.139 -1.447 1.00 0.00 H new ATOM 0 HG SER A 86 39.402 -14.332 -0.677 1.00 0.00 H new ATOM 1259 N ASP A 87 36.184 -9.828 -0.989 1.00 0.00 N ATOM 1260 CA ASP A 87 35.775 -8.650 -1.746 1.00 0.00 C ATOM 1261 C ASP A 87 35.292 -7.512 -0.843 1.00 0.00 C ATOM 1262 O ASP A 87 34.751 -6.522 -1.330 1.00 0.00 O ATOM 1263 CB ASP A 87 34.725 -9.026 -2.797 1.00 0.00 C ATOM 1264 CG ASP A 87 35.296 -9.884 -3.927 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.539 -9.965 -4.038 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.470 -10.452 -4.675 1.00 0.00 O ATOM 0 H ASP A 87 35.429 -10.250 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 87 36.656 -8.271 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.911 -9.566 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.298 -8.116 -3.219 1.00 0.00 H new ATOM 1271 N ASP A 88 35.485 -7.658 0.470 1.00 0.00 N ATOM 1272 CA ASP A 88 35.088 -6.653 1.448 1.00 0.00 C ATOM 1273 C ASP A 88 35.999 -5.420 1.441 1.00 0.00 C ATOM 1274 O ASP A 88 35.963 -4.610 2.367 1.00 0.00 O ATOM 1275 CB ASP A 88 34.981 -7.275 2.849 1.00 0.00 C ATOM 1276 CG ASP A 88 36.225 -8.072 3.247 1.00 0.00 C ATOM 1277 OD1 ASP A 88 36.130 -8.800 4.259 1.00 0.00 O ATOM 1278 OD2 ASP A 88 37.253 -7.952 2.543 1.00 0.00 O ATOM 0 H ASP A 88 35.923 -8.482 0.882 1.00 0.00 H new ATOM 0 HA ASP A 88 34.101 -6.294 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.814 -6.484 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 88 34.110 -7.930 2.884 1.00 0.00 H new ATOM 1283 N SER A 89 36.816 -5.276 0.396 1.00 0.00 N ATOM 1284 CA SER A 89 37.754 -4.178 0.242 1.00 0.00 C ATOM 1285 C SER A 89 37.055 -2.896 -0.223 1.00 0.00 C ATOM 1286 O SER A 89 37.657 -2.085 -0.923 1.00 0.00 O ATOM 1287 CB SER A 89 38.861 -4.596 -0.730 1.00 0.00 C ATOM 1288 OG SER A 89 38.300 -4.898 -1.994 1.00 0.00 O ATOM 0 H SER A 89 36.839 -5.937 -0.380 1.00 0.00 H new ATOM 0 HA SER A 89 38.196 -3.954 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.593 -3.794 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.391 -5.465 -0.340 1.00 0.00 H new ATOM 0 HG SER A 89 39.012 -5.163 -2.613 1.00 0.00 H new ATOM 1294 N VAL A 90 35.788 -2.714 0.163 1.00 0.00 N ATOM 1295 CA VAL A 90 35.014 -1.538 -0.225 1.00 0.00 C ATOM 1296 C VAL A 90 35.723 -0.273 0.257 1.00 0.00 C ATOM 1297 O VAL A 90 36.335 -0.257 1.326 1.00 0.00 O ATOM 1298 CB VAL A 90 33.588 -1.646 0.334 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.588 -1.836 1.848 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.781 -0.394 -0.006 1.00 0.00 C ATOM 0 H VAL A 90 35.276 -3.374 0.749 1.00 0.00 H new ATOM 0 HA VAL A 90 34.939 -1.483 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 90 33.130 -2.520 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.561 -1.908 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 90 34.125 -2.750 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 90 34.078 -0.985 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.773 -0.490 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 90 33.265 0.480 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.728 -0.278 -1.089 1.00 0.00 H new ATOM 1310 N ASP A 91 35.633 0.791 -0.546 1.00 0.00 N ATOM 1311 CA ASP A 91 36.325 2.044 -0.275 1.00 0.00 C ATOM 1312 C ASP A 91 35.655 2.714 0.926 1.00 0.00 C ATOM 1313 O ASP A 91 34.439 2.622 1.097 1.00 0.00 O ATOM 1314 CB ASP A 91 36.217 2.930 -1.520 1.00 0.00 C ATOM 1315 CG ASP A 91 37.214 4.086 -1.511 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.935 4.228 -0.500 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.242 4.815 -2.527 1.00 0.00 O ATOM 0 H ASP A 91 35.077 0.803 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 91 37.378 1.877 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.381 2.321 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 91 35.205 3.329 -1.590 1.00 0.00 H new ATOM 1322 N SER A 92 36.448 3.392 1.761 1.00 0.00 N ATOM 1323 CA SER A 92 35.942 4.007 2.979 1.00 0.00 C ATOM 1324 C SER A 92 35.036 5.195 2.672 1.00 0.00 C ATOM 1325 O SER A 92 34.385 5.722 3.573 1.00 0.00 O ATOM 1326 CB SER A 92 37.110 4.447 3.859 1.00 0.00 C ATOM 1327 OG SER A 92 37.861 3.320 4.256 1.00 0.00 O ATOM 0 H SER A 92 37.448 3.526 1.609 1.00 0.00 H new ATOM 0 HA SER A 92 35.345 3.266 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 92 37.745 5.145 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 92 36.737 4.975 4.737 1.00 0.00 H new ATOM 0 HG SER A 92 38.610 3.608 4.819 1.00 0.00 H new ATOM 1333 N ARG A 93 34.984 5.617 1.404 1.00 0.00 N ATOM 1334 CA ARG A 93 34.122 6.712 0.980 1.00 0.00 C ATOM 1335 C ARG A 93 32.653 6.287 0.986 1.00 0.00 C ATOM 1336 O ARG A 93 31.776 7.127 0.804 1.00 0.00 O ATOM 1337 CB ARG A 93 34.519 7.179 -0.425 1.00 0.00 C ATOM 1338 CG ARG A 93 35.983 7.617 -0.462 1.00 0.00 C ATOM 1339 CD ARG A 93 36.323 8.252 -1.811 1.00 0.00 C ATOM 1340 NE ARG A 93 35.563 9.490 -2.026 1.00 0.00 N ATOM 1341 CZ ARG A 93 34.563 9.618 -2.905 1.00 0.00 C ATOM 1342 NH1 ARG A 93 34.196 8.591 -3.667 1.00 0.00 N ATOM 1343 NH2 ARG A 93 33.924 10.776 -3.030 1.00 0.00 N ATOM 0 H ARG A 93 35.537 5.208 0.651 1.00 0.00 H new ATOM 0 HA ARG A 93 34.247 7.534 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.359 6.372 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 93 33.880 8.007 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 93 36.175 8.330 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 93 36.630 6.757 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 93 37.391 8.466 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 93 36.106 7.546 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 93 35.814 10.306 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.678 7.696 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 93 33.432 8.698 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 93 34.195 11.573 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 93 33.162 10.868 -3.702 1.00 0.00 H new ATOM 1357 N PHE A 94 32.382 4.994 1.195 1.00 0.00 N ATOM 1358 CA PHE A 94 31.021 4.469 1.114 1.00 0.00 C ATOM 1359 C PHE A 94 30.793 3.505 2.282 1.00 0.00 C ATOM 1360 O PHE A 94 29.783 2.806 2.299 1.00 0.00 O ATOM 1361 CB PHE A 94 30.860 3.720 -0.208 1.00 0.00 C ATOM 1362 CG PHE A 94 31.503 4.416 -1.390 1.00 0.00 C ATOM 1363 CD1 PHE A 94 30.984 5.633 -1.859 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.627 3.845 -2.009 1.00 0.00 C ATOM 1365 CE1 PHE A 94 31.599 6.287 -2.936 1.00 0.00 C ATOM 1366 CE2 PHE A 94 33.235 4.499 -3.085 1.00 0.00 C ATOM 1367 CZ PHE A 94 32.728 5.719 -3.544 1.00 0.00 C ATOM 0 H PHE A 94 33.089 4.295 1.421 1.00 0.00 H new ATOM 0 HA PHE A 94 30.297 5.282 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.293 2.725 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.798 3.586 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 94 30.112 6.065 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 94 33.021 2.904 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 94 31.204 7.226 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 94 34.099 4.061 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 94 33.207 6.225 -4.369 1.00 0.00 H new ATOM 1377 N ARG A 95 31.707 3.452 3.253 1.00 0.00 N ATOM 1378 CA ARG A 95 31.533 2.590 4.415 1.00 0.00 C ATOM 1379 C ARG A 95 30.457 3.127 5.365 1.00 0.00 C ATOM 1380 O ARG A 95 30.066 2.442 6.308 1.00 0.00 O ATOM 1381 CB ARG A 95 32.872 2.382 5.124 1.00 0.00 C ATOM 1382 CG ARG A 95 33.692 1.369 4.327 1.00 0.00 C ATOM 1383 CD ARG A 95 35.028 1.094 5.011 1.00 0.00 C ATOM 1384 NE ARG A 95 35.856 0.208 4.184 1.00 0.00 N ATOM 1385 CZ ARG A 95 36.529 -0.851 4.643 1.00 0.00 C ATOM 1386 NH1 ARG A 95 36.510 -1.168 5.934 1.00 0.00 N ATOM 1387 NH2 ARG A 95 37.228 -1.597 3.795 1.00 0.00 N ATOM 0 H ARG A 95 32.571 3.995 3.255 1.00 0.00 H new ATOM 0 HA ARG A 95 31.180 1.618 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.410 3.327 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.710 2.022 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.132 0.439 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.865 1.747 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 95 35.553 2.033 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.857 0.637 5.986 1.00 0.00 H new ATOM 0 HE ARG A 95 35.922 0.416 3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 95 35.976 -0.599 6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 95 37.030 -1.980 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 95 37.248 -1.359 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 95 37.745 -2.408 4.136 1.00 0.00 H new ATOM 1401 N ASP A 96 29.976 4.347 5.113 1.00 0.00 N ATOM 1402 CA ASP A 96 28.838 4.903 5.836 1.00 0.00 C ATOM 1403 C ASP A 96 27.507 4.487 5.204 1.00 0.00 C ATOM 1404 O ASP A 96 26.453 4.642 5.817 1.00 0.00 O ATOM 1405 CB ASP A 96 28.954 6.431 5.896 1.00 0.00 C ATOM 1406 CG ASP A 96 30.145 6.895 6.736 1.00 0.00 C ATOM 1407 OD1 ASP A 96 30.380 8.124 6.757 1.00 0.00 O ATOM 1408 OD2 ASP A 96 30.808 6.029 7.351 1.00 0.00 O ATOM 0 H ASP A 96 30.364 4.971 4.406 1.00 0.00 H new ATOM 0 HA ASP A 96 28.854 4.503 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 96 29.052 6.825 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 96 28.036 6.846 6.312 1.00 0.00 H new ATOM 1413 N ARG A 97 27.564 3.958 3.976 1.00 0.00 N ATOM 1414 CA ARG A 97 26.393 3.478 3.253 1.00 0.00 C ATOM 1415 C ARG A 97 26.069 2.046 3.681 1.00 0.00 C ATOM 1416 O ARG A 97 26.938 1.353 4.213 1.00 0.00 O ATOM 1417 CB ARG A 97 26.677 3.523 1.747 1.00 0.00 C ATOM 1418 CG ARG A 97 27.010 4.939 1.268 1.00 0.00 C ATOM 1419 CD ARG A 97 25.819 5.883 1.461 1.00 0.00 C ATOM 1420 NE ARG A 97 24.611 5.351 0.822 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.369 5.629 1.225 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.151 6.485 2.219 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.338 5.040 0.628 1.00 0.00 N ATOM 0 H ARG A 97 28.435 3.853 3.456 1.00 0.00 H new ATOM 0 HA ARG A 97 25.538 4.114 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.508 2.857 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.809 3.151 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 97 27.871 5.319 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 97 27.290 4.913 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.636 6.029 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 97 26.055 6.861 1.041 1.00 0.00 H new ATOM 0 HE ARG A 97 24.727 4.731 0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 97 23.938 6.938 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.197 6.688 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.498 4.380 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.386 5.248 0.931 1.00 0.00 H new ATOM 1437 N PRO A 98 24.831 1.585 3.453 1.00 0.00 N ATOM 1438 CA PRO A 98 24.465 0.200 3.653 1.00 0.00 C ATOM 1439 C PRO A 98 25.184 -0.650 2.613 1.00 0.00 C ATOM 1440 O PRO A 98 25.441 -0.186 1.500 1.00 0.00 O ATOM 1441 CB PRO A 98 22.948 0.136 3.478 1.00 0.00 C ATOM 1442 CG PRO A 98 22.630 1.343 2.593 1.00 0.00 C ATOM 1443 CD PRO A 98 23.708 2.360 2.958 1.00 0.00 C ATOM 0 HA PRO A 98 24.746 -0.176 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.639 -0.797 3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.432 0.196 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.667 1.084 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.631 1.731 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.995 2.954 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.349 3.056 3.716 1.00 0.00 H new ATOM 1451 N VAL A 99 25.511 -1.895 2.963 1.00 0.00 N ATOM 1452 CA VAL A 99 26.244 -2.764 2.059 1.00 0.00 C ATOM 1453 C VAL A 99 25.903 -4.220 2.331 1.00 0.00 C ATOM 1454 O VAL A 99 25.995 -4.703 3.458 1.00 0.00 O ATOM 1455 CB VAL A 99 27.750 -2.496 2.204 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.218 -2.615 3.655 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.562 -3.472 1.356 1.00 0.00 C ATOM 0 H VAL A 99 25.279 -2.317 3.862 1.00 0.00 H new ATOM 0 HA VAL A 99 25.955 -2.551 1.030 1.00 0.00 H new ATOM 0 HB VAL A 99 27.913 -1.474 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.289 -2.418 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.684 -1.891 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 99 28.016 -3.622 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.625 -3.261 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.356 -4.493 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.286 -3.360 0.307 1.00 0.00 H new ATOM 1467 N LEU A 100 25.506 -4.918 1.269 1.00 0.00 N ATOM 1468 CA LEU A 100 25.353 -6.364 1.283 1.00 0.00 C ATOM 1469 C LEU A 100 26.733 -6.995 1.074 1.00 0.00 C ATOM 1470 O LEU A 100 27.486 -6.533 0.223 1.00 0.00 O ATOM 1471 CB LEU A 100 24.374 -6.773 0.177 1.00 0.00 C ATOM 1472 CG LEU A 100 23.014 -6.077 0.339 1.00 0.00 C ATOM 1473 CD1 LEU A 100 22.106 -6.474 -0.820 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.352 -6.495 1.650 1.00 0.00 C ATOM 0 H LEU A 100 25.281 -4.490 0.371 1.00 0.00 H new ATOM 0 HA LEU A 100 24.950 -6.710 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.798 -6.523 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.235 -7.854 0.195 1.00 0.00 H new ATOM 0 HG LEU A 100 23.171 -4.998 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 100 21.139 -5.983 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.563 -6.169 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.966 -7.555 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.390 -5.992 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.200 -7.574 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.993 -6.217 2.486 1.00 0.00 H new ATOM 1486 N GLN A 101 27.073 -8.036 1.841 1.00 0.00 N ATOM 1487 CA GLN A 101 28.444 -8.554 1.864 1.00 0.00 C ATOM 1488 C GLN A 101 28.511 -10.084 1.942 1.00 0.00 C ATOM 1489 O GLN A 101 29.597 -10.658 2.043 1.00 0.00 O ATOM 1490 CB GLN A 101 29.178 -7.890 3.042 1.00 0.00 C ATOM 1491 CG GLN A 101 30.643 -8.327 3.137 1.00 0.00 C ATOM 1492 CD GLN A 101 31.480 -7.294 3.883 1.00 0.00 C ATOM 1493 OE1 GLN A 101 32.040 -7.586 4.933 1.00 0.00 O ATOM 1494 NE2 GLN A 101 31.565 -6.081 3.345 1.00 0.00 N ATOM 0 H GLN A 101 26.423 -8.533 2.450 1.00 0.00 H new ATOM 0 HA GLN A 101 28.932 -8.304 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 101 29.131 -6.807 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.666 -8.138 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.706 -9.288 3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 101 31.048 -8.472 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 101 31.084 -5.877 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.111 -5.355 3.808 1.00 0.00 H new ATOM 1503 N LYS A 102 27.364 -10.761 1.898 1.00 0.00 N ATOM 1504 CA LYS A 102 27.287 -12.201 2.100 1.00 0.00 C ATOM 1505 C LYS A 102 25.945 -12.719 1.595 1.00 0.00 C ATOM 1506 O LYS A 102 25.041 -11.918 1.367 1.00 0.00 O ATOM 1507 CB LYS A 102 27.507 -12.520 3.591 1.00 0.00 C ATOM 1508 CG LYS A 102 26.613 -11.709 4.542 1.00 0.00 C ATOM 1509 CD LYS A 102 25.188 -12.265 4.608 1.00 0.00 C ATOM 1510 CE LYS A 102 24.402 -11.573 5.723 1.00 0.00 C ATOM 1511 NZ LYS A 102 24.980 -11.847 7.051 1.00 0.00 N ATOM 0 H LYS A 102 26.461 -10.321 1.720 1.00 0.00 H new ATOM 0 HA LYS A 102 28.068 -12.706 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.325 -13.582 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 102 28.551 -12.333 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 102 27.050 -11.713 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 102 26.582 -10.671 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 102 24.686 -12.114 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 102 25.217 -13.340 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 102 24.391 -10.497 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 102 23.366 -11.911 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 24.256 -11.697 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 25.312 -12.832 7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 25.781 -11.205 7.220 1.00 0.00 H new ATOM 1525 N PRO A 103 25.796 -14.039 1.417 1.00 0.00 N ATOM 1526 CA PRO A 103 24.524 -14.641 1.056 1.00 0.00 C ATOM 1527 C PRO A 103 23.450 -14.228 2.063 1.00 0.00 C ATOM 1528 O PRO A 103 23.423 -14.705 3.196 1.00 0.00 O ATOM 1529 CB PRO A 103 24.759 -16.152 1.056 1.00 0.00 C ATOM 1530 CG PRO A 103 26.274 -16.292 0.879 1.00 0.00 C ATOM 1531 CD PRO A 103 26.840 -15.038 1.537 1.00 0.00 C ATOM 0 HA PRO A 103 24.172 -14.314 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.422 -16.608 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.216 -16.640 0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.650 -17.197 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 103 26.549 -16.349 -0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.091 -15.221 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.755 -14.713 1.042 1.00 0.00 H new ATOM 1539 N PHE A 104 22.565 -13.326 1.635 1.00 0.00 N ATOM 1540 CA PHE A 104 21.574 -12.704 2.497 1.00 0.00 C ATOM 1541 C PHE A 104 20.214 -13.394 2.528 1.00 0.00 C ATOM 1542 O PHE A 104 19.801 -14.019 1.548 1.00 0.00 O ATOM 1543 CB PHE A 104 21.462 -11.207 2.189 1.00 0.00 C ATOM 1544 CG PHE A 104 21.698 -10.889 0.728 1.00 0.00 C ATOM 1545 CD1 PHE A 104 22.888 -10.262 0.337 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.742 -11.241 -0.234 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.139 -10.012 -1.017 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.988 -10.984 -1.589 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.188 -10.378 -1.981 1.00 0.00 C ATOM 0 H PHE A 104 22.521 -13.007 0.667 1.00 0.00 H new ATOM 0 HA PHE A 104 21.946 -12.831 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.472 -10.855 2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.184 -10.661 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.614 -9.971 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.817 -11.710 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.062 -9.539 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.252 -11.253 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.382 -10.192 -3.027 1.00 0.00 H new ATOM 1559 N THR A 105 19.523 -13.278 3.665 1.00 0.00 N ATOM 1560 CA THR A 105 18.162 -13.773 3.826 1.00 0.00 C ATOM 1561 C THR A 105 17.121 -12.765 3.360 1.00 0.00 C ATOM 1562 O THR A 105 17.459 -11.642 2.988 1.00 0.00 O ATOM 1563 CB THR A 105 17.901 -14.222 5.266 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.545 -13.104 6.050 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.129 -14.894 5.881 1.00 0.00 C ATOM 0 H THR A 105 19.899 -12.834 4.503 1.00 0.00 H new ATOM 0 HA THR A 105 18.064 -14.646 3.181 1.00 0.00 H new ATOM 0 HB THR A 105 17.089 -14.949 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.376 -13.391 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.904 -15.198 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.397 -15.771 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.963 -14.192 5.887 1.00 0.00 H new ATOM 1573 N MET A 106 15.844 -13.166 3.381 1.00 0.00 N ATOM 1574 CA MET A 106 14.750 -12.284 3.011 1.00 0.00 C ATOM 1575 C MET A 106 14.716 -11.067 3.940 1.00 0.00 C ATOM 1576 O MET A 106 14.314 -9.983 3.530 1.00 0.00 O ATOM 1577 CB MET A 106 13.445 -13.079 3.089 1.00 0.00 C ATOM 1578 CG MET A 106 12.209 -12.243 2.739 1.00 0.00 C ATOM 1579 SD MET A 106 11.960 -11.920 0.971 1.00 0.00 S ATOM 1580 CE MET A 106 13.004 -10.456 0.750 1.00 0.00 C ATOM 0 H MET A 106 15.550 -14.104 3.654 1.00 0.00 H new ATOM 0 HA MET A 106 14.886 -11.914 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.504 -13.930 2.411 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.331 -13.481 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.326 -12.752 3.125 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.279 -11.288 3.259 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.824 -10.026 -0.236 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.764 -9.719 1.516 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.053 -10.741 0.836 1.00 0.00 H new ATOM 1590 N ASP A 107 15.143 -11.250 5.194 1.00 0.00 N ATOM 1591 CA ASP A 107 15.194 -10.170 6.167 1.00 0.00 C ATOM 1592 C ASP A 107 16.461 -9.327 6.044 1.00 0.00 C ATOM 1593 O ASP A 107 16.493 -8.188 6.500 1.00 0.00 O ATOM 1594 CB ASP A 107 15.057 -10.740 7.582 1.00 0.00 C ATOM 1595 CG ASP A 107 13.673 -11.331 7.846 1.00 0.00 C ATOM 1596 OD1 ASP A 107 12.802 -11.219 6.955 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.497 -11.895 8.949 1.00 0.00 O ATOM 0 H ASP A 107 15.460 -12.150 5.555 1.00 0.00 H new ATOM 0 HA ASP A 107 14.357 -9.503 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.812 -11.511 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.256 -9.952 8.308 1.00 0.00 H new ATOM 1602 N GLY A 108 17.508 -9.885 5.428 1.00 0.00 N ATOM 1603 CA GLY A 108 18.782 -9.196 5.295 1.00 0.00 C ATOM 1604 C GLY A 108 18.727 -8.126 4.213 1.00 0.00 C ATOM 1605 O GLY A 108 19.307 -7.052 4.372 1.00 0.00 O ATOM 0 H GLY A 108 17.491 -10.817 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.051 -8.739 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.564 -9.917 5.056 1.00 0.00 H new ATOM 1609 N VAL A 109 18.030 -8.403 3.110 1.00 0.00 N ATOM 1610 CA VAL A 109 17.868 -7.423 2.042 1.00 0.00 C ATOM 1611 C VAL A 109 16.841 -6.374 2.445 1.00 0.00 C ATOM 1612 O VAL A 109 16.926 -5.231 2.010 1.00 0.00 O ATOM 1613 CB VAL A 109 17.455 -8.124 0.745 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.474 -9.200 0.382 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.077 -8.771 0.883 1.00 0.00 C ATOM 0 H VAL A 109 17.571 -9.297 2.936 1.00 0.00 H new ATOM 0 HA VAL A 109 18.820 -6.920 1.871 1.00 0.00 H new ATOM 0 HB VAL A 109 17.414 -7.370 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 109 18.170 -9.692 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.453 -8.742 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.527 -9.936 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.810 -9.261 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.100 -9.509 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.337 -8.005 1.116 1.00 0.00 H new ATOM 1625 N ALA A 110 15.868 -6.757 3.281 1.00 0.00 N ATOM 1626 CA ALA A 110 14.874 -5.820 3.774 1.00 0.00 C ATOM 1627 C ALA A 110 15.518 -4.853 4.764 1.00 0.00 C ATOM 1628 O ALA A 110 15.037 -3.735 4.940 1.00 0.00 O ATOM 1629 CB ALA A 110 13.736 -6.599 4.436 1.00 0.00 C ATOM 0 H ALA A 110 15.755 -7.711 3.625 1.00 0.00 H new ATOM 0 HA ALA A 110 14.469 -5.238 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.986 -5.901 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.279 -7.267 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.131 -7.185 5.266 1.00 0.00 H new ATOM 1635 N LYS A 111 16.608 -5.280 5.412 1.00 0.00 N ATOM 1636 CA LYS A 111 17.326 -4.447 6.363 1.00 0.00 C ATOM 1637 C LYS A 111 18.113 -3.363 5.634 1.00 0.00 C ATOM 1638 O LYS A 111 18.186 -2.229 6.101 1.00 0.00 O ATOM 1639 CB LYS A 111 18.257 -5.340 7.180 1.00 0.00 C ATOM 1640 CG LYS A 111 18.933 -4.539 8.298 1.00 0.00 C ATOM 1641 CD LYS A 111 19.861 -5.431 9.126 1.00 0.00 C ATOM 1642 CE LYS A 111 19.125 -6.153 10.257 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.149 -7.145 9.756 1.00 0.00 N ATOM 0 H LYS A 111 17.010 -6.209 5.288 1.00 0.00 H new ATOM 0 HA LYS A 111 16.621 -3.949 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.691 -6.167 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.015 -5.776 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.503 -3.716 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.174 -4.098 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.329 -6.168 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 111 20.662 -4.824 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 111 19.851 -6.654 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.608 -5.420 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.033 -7.903 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.233 -6.680 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.494 -7.551 8.863 1.00 0.00 H new ATOM 1657 N ALA A 112 18.702 -3.713 4.485 1.00 0.00 N ATOM 1658 CA ALA A 112 19.492 -2.772 3.708 1.00 0.00 C ATOM 1659 C ALA A 112 18.592 -1.769 2.986 1.00 0.00 C ATOM 1660 O ALA A 112 18.896 -0.576 2.957 1.00 0.00 O ATOM 1661 CB ALA A 112 20.348 -3.547 2.703 1.00 0.00 C ATOM 0 H ALA A 112 18.642 -4.646 4.078 1.00 0.00 H new ATOM 0 HA ALA A 112 20.140 -2.209 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.943 -2.847 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.010 -4.228 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.701 -4.119 2.038 1.00 0.00 H new ATOM 1667 N LEU A 113 17.482 -2.240 2.408 1.00 0.00 N ATOM 1668 CA LEU A 113 16.569 -1.361 1.690 1.00 0.00 C ATOM 1669 C LEU A 113 15.836 -0.431 2.658 1.00 0.00 C ATOM 1670 O LEU A 113 15.353 0.622 2.249 1.00 0.00 O ATOM 1671 CB LEU A 113 15.567 -2.202 0.891 1.00 0.00 C ATOM 1672 CG LEU A 113 16.247 -2.965 -0.253 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.227 -3.894 -0.904 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.779 -2.003 -1.315 1.00 0.00 C ATOM 0 H LEU A 113 17.200 -3.220 2.426 1.00 0.00 H new ATOM 0 HA LEU A 113 17.145 -0.742 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.074 -2.910 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.791 -1.553 0.484 1.00 0.00 H new ATOM 0 HG LEU A 113 17.083 -3.531 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.701 -4.441 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.853 -4.600 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.397 -3.306 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.256 -2.571 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.953 -1.422 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.508 -1.329 -0.864 1.00 0.00 H new ATOM 1686 N ALA A 114 15.754 -0.808 3.938 1.00 0.00 N ATOM 1687 CA ALA A 114 15.187 0.063 4.952 1.00 0.00 C ATOM 1688 C ALA A 114 16.224 1.094 5.396 1.00 0.00 C ATOM 1689 O ALA A 114 15.873 2.231 5.707 1.00 0.00 O ATOM 1690 CB ALA A 114 14.716 -0.777 6.137 1.00 0.00 C ATOM 0 H ALA A 114 16.075 -1.711 4.288 1.00 0.00 H new ATOM 0 HA ALA A 114 14.332 0.597 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.290 -0.124 6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.959 -1.486 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.562 -1.321 6.557 1.00 0.00 H new ATOM 1696 N ALA A 115 17.503 0.704 5.423 1.00 0.00 N ATOM 1697 CA ALA A 115 18.585 1.594 5.805 1.00 0.00 C ATOM 1698 C ALA A 115 18.775 2.715 4.778 1.00 0.00 C ATOM 1699 O ALA A 115 19.450 3.703 5.061 1.00 0.00 O ATOM 1700 CB ALA A 115 19.869 0.779 5.960 1.00 0.00 C ATOM 0 H ALA A 115 17.809 -0.238 5.179 1.00 0.00 H new ATOM 0 HA ALA A 115 18.335 2.067 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 115 20.687 1.440 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.728 0.021 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.109 0.294 5.014 1.00 0.00 H new ATOM 1706 N LEU A 116 18.182 2.570 3.586 1.00 0.00 N ATOM 1707 CA LEU A 116 18.187 3.639 2.595 1.00 0.00 C ATOM 1708 C LEU A 116 17.341 4.823 3.074 1.00 0.00 C ATOM 1709 O LEU A 116 17.474 5.927 2.547 1.00 0.00 O ATOM 1710 CB LEU A 116 17.642 3.104 1.266 1.00 0.00 C ATOM 1711 CG LEU A 116 18.575 2.053 0.649 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.938 1.510 -0.624 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.927 2.672 0.296 1.00 0.00 C ATOM 0 H LEU A 116 17.696 1.723 3.291 1.00 0.00 H new ATOM 0 HA LEU A 116 19.210 3.987 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.657 2.666 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.513 3.930 0.567 1.00 0.00 H new ATOM 0 HG LEU A 116 18.729 1.253 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.595 0.762 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.978 1.053 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.785 2.326 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.573 1.910 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.781 3.479 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.392 3.069 1.198 1.00 0.00 H new