USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 68 THR OG1 : rot -67:sc= 0.595 USER MOD Set 1.2: A 70 THR OG1 : rot 58:sc= 1.16 USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 83 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0 (180deg=-0.555) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -114:sc= -0.82 (180deg=-0.924) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 11 TYR OH : rot -166:sc= 0.91 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -144:sc= 0.38 USER MOD Single : A 22 GLN : amide:sc= -1.69 K(o=-1.7,f=-6.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0.293 F(o=-7.1!,f=0.29) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.33 F(o=-7.1!,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -4.18! C(o=-4.2!,f=-4.7!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= -0.942 (180deg=-1.11) USER MOD Single : A 69 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.025) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 81 ASN : amide:sc= -13.2! C(o=-13!,f=-18!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.463 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -35.736 -12.205 2.315 1.00 0.00 N ATOM 2 CA SER A 1 -36.118 -10.812 2.669 1.00 0.00 C ATOM 3 C SER A 1 -35.158 -9.806 2.035 1.00 0.00 C ATOM 4 O SER A 1 -34.283 -9.264 2.712 1.00 0.00 O ATOM 5 CB SER A 1 -36.121 -10.641 4.190 1.00 0.00 C ATOM 6 OG SER A 1 -36.480 -9.319 4.556 1.00 0.00 O ATOM 0 H1 SER A 1 -36.594 -12.779 2.189 1.00 0.00 H new ATOM 0 H2 SER A 1 -35.189 -12.201 1.430 1.00 0.00 H new ATOM 0 H3 SER A 1 -35.157 -12.611 3.078 1.00 0.00 H new ATOM 0 HA SER A 1 -37.119 -10.623 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 1 -36.820 -11.348 4.637 1.00 0.00 H new ATOM 0 HB3 SER A 1 -35.133 -10.876 4.587 1.00 0.00 H new ATOM 0 HG SER A 1 -36.476 -9.237 5.533 1.00 0.00 H new ATOM 14 N PRO A 2 -35.307 -9.544 0.723 1.00 0.00 N ATOM 15 CA PRO A 2 -34.449 -8.602 0.005 1.00 0.00 C ATOM 16 C PRO A 2 -34.861 -7.151 0.219 1.00 0.00 C ATOM 17 O PRO A 2 -35.242 -6.458 -0.725 1.00 0.00 O ATOM 18 CB PRO A 2 -34.648 -9.003 -1.454 1.00 0.00 C ATOM 19 CG PRO A 2 -36.044 -9.520 -1.510 1.00 0.00 C ATOM 20 CD PRO A 2 -36.318 -10.152 -0.168 1.00 0.00 C ATOM 0 HA PRO A 2 -33.415 -8.650 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.512 -8.152 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -33.930 -9.765 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -36.749 -8.713 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -36.156 -10.249 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -37.331 -9.941 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -36.215 -11.236 -0.208 1.00 0.00 H new ATOM 28 N ALA A 3 -34.784 -6.692 1.464 1.00 0.00 N ATOM 29 CA ALA A 3 -35.129 -5.314 1.782 1.00 0.00 C ATOM 30 C ALA A 3 -34.128 -4.373 1.124 1.00 0.00 C ATOM 31 O ALA A 3 -34.291 -3.153 1.141 1.00 0.00 O ATOM 32 CB ALA A 3 -35.159 -5.103 3.289 1.00 0.00 C ATOM 0 H ALA A 3 -34.487 -7.251 2.264 1.00 0.00 H new ATOM 0 HA ALA A 3 -36.125 -5.097 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -35.419 -4.067 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -35.902 -5.764 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -34.178 -5.326 3.707 1.00 0.00 H new ATOM 38 N ALA A 4 -33.089 -4.969 0.544 1.00 0.00 N ATOM 39 CA ALA A 4 -32.043 -4.224 -0.139 1.00 0.00 C ATOM 40 C ALA A 4 -32.216 -4.317 -1.650 1.00 0.00 C ATOM 41 O ALA A 4 -31.261 -4.141 -2.407 1.00 0.00 O ATOM 42 CB ALA A 4 -30.679 -4.761 0.269 1.00 0.00 C ATOM 0 H ALA A 4 -32.952 -5.980 0.536 1.00 0.00 H new ATOM 0 HA ALA A 4 -32.115 -3.175 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.899 -4.200 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -30.553 -4.654 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -30.607 -5.814 -0.002 1.00 0.00 H new ATOM 48 N MET A 5 -33.443 -4.602 -2.079 1.00 0.00 N ATOM 49 CA MET A 5 -33.751 -4.727 -3.499 1.00 0.00 C ATOM 50 C MET A 5 -33.305 -3.487 -4.268 1.00 0.00 C ATOM 51 O MET A 5 -32.557 -3.586 -5.243 1.00 0.00 O ATOM 52 CB MET A 5 -35.253 -4.947 -3.696 1.00 0.00 C ATOM 53 CG MET A 5 -35.655 -5.135 -5.150 1.00 0.00 C ATOM 54 SD MET A 5 -37.427 -5.402 -5.351 1.00 0.00 S ATOM 55 CE MET A 5 -38.078 -3.853 -4.733 1.00 0.00 C ATOM 0 H MET A 5 -34.241 -4.751 -1.461 1.00 0.00 H new ATOM 0 HA MET A 5 -33.206 -5.587 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 5 -35.561 -5.824 -3.126 1.00 0.00 H new ATOM 0 HB3 MET A 5 -35.794 -4.094 -3.286 1.00 0.00 H new ATOM 0 HG2 MET A 5 -35.357 -4.256 -5.722 1.00 0.00 H new ATOM 0 HG3 MET A 5 -35.114 -5.985 -5.566 1.00 0.00 H new ATOM 0 HE1 MET A 5 -38.642 -4.035 -3.818 1.00 0.00 H new ATOM 0 HE2 MET A 5 -37.255 -3.171 -4.522 1.00 0.00 H new ATOM 0 HE3 MET A 5 -38.734 -3.409 -5.482 1.00 0.00 H new ATOM 65 N GLU A 6 -33.766 -2.322 -3.824 1.00 0.00 N ATOM 66 CA GLU A 6 -33.416 -1.063 -4.471 1.00 0.00 C ATOM 67 C GLU A 6 -32.481 -0.236 -3.591 1.00 0.00 C ATOM 68 O GLU A 6 -32.131 0.893 -3.932 1.00 0.00 O ATOM 69 CB GLU A 6 -34.681 -0.262 -4.790 1.00 0.00 C ATOM 70 CG GLU A 6 -35.585 -0.934 -5.812 1.00 0.00 C ATOM 71 CD GLU A 6 -36.870 -0.165 -6.050 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.879 0.712 -6.939 1.00 0.00 O ATOM 73 OE2 GLU A 6 -37.865 -0.441 -5.350 1.00 0.00 O ATOM 0 H GLU A 6 -34.383 -2.224 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 6 -32.896 -1.294 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -35.242 -0.103 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.394 0.722 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -35.048 -1.037 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -35.826 -1.941 -5.471 1.00 0.00 H new ATOM 80 N ARG A 7 -32.078 -0.807 -2.458 1.00 0.00 N ATOM 81 CA ARG A 7 -31.180 -0.117 -1.530 1.00 0.00 C ATOM 82 C ARG A 7 -29.802 -0.772 -1.517 1.00 0.00 C ATOM 83 O ARG A 7 -29.667 -1.961 -1.808 1.00 0.00 O ATOM 84 CB ARG A 7 -31.764 -0.104 -0.113 1.00 0.00 C ATOM 85 CG ARG A 7 -33.162 0.487 -0.037 1.00 0.00 C ATOM 86 CD ARG A 7 -33.662 0.551 1.397 1.00 0.00 C ATOM 87 NE ARG A 7 -35.013 1.096 1.479 1.00 0.00 N ATOM 88 CZ ARG A 7 -35.653 1.318 2.624 1.00 0.00 C ATOM 89 NH1 ARG A 7 -35.066 1.044 3.781 1.00 0.00 N ATOM 90 NH2 ARG A 7 -36.882 1.816 2.610 1.00 0.00 N ATOM 0 H ARG A 7 -32.357 -1.742 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 7 -31.075 0.912 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.788 -1.124 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -31.102 0.466 0.539 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -33.159 1.488 -0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.846 -0.115 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.647 -0.449 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.986 1.167 1.990 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.495 1.320 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.120 0.662 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.560 1.216 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -37.336 2.029 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -37.373 1.986 3.488 1.00 0.00 H new ATOM 104 N GLN A 8 -28.782 0.010 -1.177 1.00 0.00 N ATOM 105 CA GLN A 8 -27.413 -0.494 -1.126 1.00 0.00 C ATOM 106 C GLN A 8 -26.636 0.172 0.009 1.00 0.00 C ATOM 107 O GLN A 8 -26.836 1.350 0.303 1.00 0.00 O ATOM 108 CB GLN A 8 -26.705 -0.249 -2.470 1.00 0.00 C ATOM 109 CG GLN A 8 -26.330 1.207 -2.706 1.00 0.00 C ATOM 110 CD GLN A 8 -25.676 1.433 -4.057 1.00 0.00 C ATOM 111 OE1 GLN A 8 -24.958 0.428 -4.546 1.00 0.00 O flip ATOM 112 NE2 GLN A 8 -25.812 2.501 -4.654 1.00 0.00 N flip ATOM 0 H GLN A 8 -28.877 0.996 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 8 -27.448 -1.567 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.803 -0.859 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -27.354 -0.584 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.225 1.825 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -25.651 1.535 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.372 3.247 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -25.364 2.639 -5.560 1.00 0.00 H new ATOM 121 N VAL A 9 -25.752 -0.593 0.643 1.00 0.00 N ATOM 122 CA VAL A 9 -24.944 -0.080 1.745 1.00 0.00 C ATOM 123 C VAL A 9 -23.581 0.401 1.243 1.00 0.00 C ATOM 124 O VAL A 9 -22.874 -0.341 0.561 1.00 0.00 O ATOM 125 CB VAL A 9 -24.728 -1.157 2.830 1.00 0.00 C ATOM 126 CG1 VAL A 9 -24.001 -0.576 4.036 1.00 0.00 C ATOM 127 CG2 VAL A 9 -26.054 -1.772 3.246 1.00 0.00 C ATOM 0 H VAL A 9 -25.577 -1.571 0.412 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.489 0.759 2.179 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.104 -1.944 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.861 -1.354 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -23.029 -0.193 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.592 0.235 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.880 -2.529 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.706 -0.995 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.528 -2.234 2.380 1.00 0.00 H new ATOM 137 N PRO A 10 -23.191 1.650 1.572 1.00 0.00 N ATOM 138 CA PRO A 10 -21.905 2.212 1.138 1.00 0.00 C ATOM 139 C PRO A 10 -20.716 1.574 1.848 1.00 0.00 C ATOM 140 O PRO A 10 -20.869 0.945 2.895 1.00 0.00 O ATOM 141 CB PRO A 10 -22.019 3.691 1.513 1.00 0.00 C ATOM 142 CG PRO A 10 -22.981 3.721 2.647 1.00 0.00 C ATOM 143 CD PRO A 10 -23.962 2.610 2.387 1.00 0.00 C ATOM 0 HA PRO A 10 -21.726 2.037 0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.052 4.101 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.378 4.286 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.468 3.575 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.488 4.684 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.311 2.158 3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.843 2.969 1.856 1.00 0.00 H new ATOM 151 N TYR A 11 -19.531 1.744 1.269 1.00 0.00 N ATOM 152 CA TYR A 11 -18.309 1.187 1.843 1.00 0.00 C ATOM 153 C TYR A 11 -17.091 2.012 1.440 1.00 0.00 C ATOM 154 O TYR A 11 -16.676 2.000 0.280 1.00 0.00 O ATOM 155 CB TYR A 11 -18.123 -0.268 1.395 1.00 0.00 C ATOM 156 CG TYR A 11 -16.782 -0.857 1.788 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.501 -1.172 3.113 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.798 -1.094 0.834 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.279 -1.706 3.475 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.572 -1.629 1.191 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.319 -1.933 2.512 1.00 0.00 C ATOM 162 OH TYR A 11 -13.103 -2.463 2.872 1.00 0.00 O ATOM 0 H TYR A 11 -19.390 2.263 0.402 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.404 1.217 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.918 -0.877 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.231 -0.323 0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.250 -0.996 3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.993 -0.857 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.077 -1.945 4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.818 -1.807 0.439 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.468 -2.356 2.134 1.00 0.00 H new ATOM 172 N THR A 12 -16.522 2.728 2.404 1.00 0.00 N ATOM 173 CA THR A 12 -15.345 3.551 2.155 1.00 0.00 C ATOM 174 C THR A 12 -14.141 3.039 2.937 1.00 0.00 C ATOM 175 O THR A 12 -14.177 2.986 4.167 1.00 0.00 O ATOM 176 CB THR A 12 -15.584 5.023 2.541 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.452 5.650 1.589 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.264 5.785 2.617 1.00 0.00 C ATOM 0 H THR A 12 -16.858 2.755 3.367 1.00 0.00 H new ATOM 0 HA THR A 12 -15.147 3.488 1.085 1.00 0.00 H new ATOM 0 HB THR A 12 -16.055 5.044 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.598 6.585 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.458 6.822 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.621 5.325 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.769 5.753 1.646 1.00 0.00 H new ATOM 186 N PRO A 13 -13.054 2.654 2.246 1.00 0.00 N ATOM 187 CA PRO A 13 -11.854 2.177 2.889 1.00 0.00 C ATOM 188 C PRO A 13 -10.816 3.282 3.039 1.00 0.00 C ATOM 189 O PRO A 13 -10.213 3.720 2.059 1.00 0.00 O ATOM 190 CB PRO A 13 -11.371 1.106 1.915 1.00 0.00 C ATOM 191 CG PRO A 13 -11.888 1.523 0.568 1.00 0.00 C ATOM 192 CD PRO A 13 -12.901 2.627 0.789 1.00 0.00 C ATOM 0 HA PRO A 13 -12.025 1.813 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.283 1.039 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.751 0.123 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.072 1.873 -0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.348 0.678 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.546 3.583 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.845 2.413 0.289 1.00 0.00 H new ATOM 200 N CYS A 14 -10.636 3.732 4.276 1.00 0.00 N ATOM 201 CA CYS A 14 -9.671 4.783 4.603 1.00 0.00 C ATOM 202 C CYS A 14 -10.165 6.147 4.132 1.00 0.00 C ATOM 203 O CYS A 14 -10.738 6.274 3.050 1.00 0.00 O ATOM 204 CB CYS A 14 -8.304 4.483 3.980 1.00 0.00 C ATOM 205 SG CYS A 14 -7.762 2.754 4.168 1.00 0.00 S ATOM 0 H CYS A 14 -11.153 3.381 5.082 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.566 4.806 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.339 4.728 2.918 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.559 5.137 4.433 1.00 0.00 H new ATOM 210 N SER A 15 -9.936 7.165 4.956 1.00 0.00 N ATOM 211 CA SER A 15 -10.355 8.523 4.630 1.00 0.00 C ATOM 212 C SER A 15 -9.686 9.535 5.555 1.00 0.00 C ATOM 213 O SER A 15 -9.530 9.290 6.750 1.00 0.00 O ATOM 214 CB SER A 15 -11.875 8.652 4.734 1.00 0.00 C ATOM 215 OG SER A 15 -12.326 8.343 6.042 1.00 0.00 O ATOM 0 H SER A 15 -9.462 7.075 5.855 1.00 0.00 H new ATOM 0 HA SER A 15 -10.049 8.733 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.175 9.667 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.350 7.984 4.015 1.00 0.00 H new ATOM 0 HG SER A 15 -13.301 8.435 6.082 1.00 0.00 H new ATOM 221 N GLY A 16 -9.293 10.672 4.991 1.00 0.00 N ATOM 222 CA GLY A 16 -8.646 11.707 5.779 1.00 0.00 C ATOM 223 C GLY A 16 -7.137 11.566 5.806 1.00 0.00 C ATOM 224 O GLY A 16 -6.415 12.514 5.495 1.00 0.00 O ATOM 0 H GLY A 16 -9.410 10.896 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.908 12.684 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.028 11.673 6.799 1.00 0.00 H new ATOM 228 N LEU A 17 -6.657 10.382 6.177 1.00 0.00 N ATOM 229 CA LEU A 17 -5.221 10.131 6.247 1.00 0.00 C ATOM 230 C LEU A 17 -4.640 9.871 4.859 1.00 0.00 C ATOM 231 O LEU A 17 -3.653 10.492 4.467 1.00 0.00 O ATOM 232 CB LEU A 17 -4.934 8.939 7.168 1.00 0.00 C ATOM 233 CG LEU A 17 -5.464 9.078 8.599 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.176 7.817 9.398 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.854 10.293 9.284 1.00 0.00 C ATOM 0 H LEU A 17 -7.239 9.584 6.433 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.743 11.021 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.367 8.044 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.856 8.784 7.210 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.544 9.219 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.559 7.933 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.662 6.966 8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.100 7.647 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.244 10.373 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.770 10.185 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.111 11.193 8.725 1.00 0.00 H new ATOM 247 N TYR A 18 -5.255 8.952 4.117 1.00 0.00 N ATOM 248 CA TYR A 18 -4.791 8.626 2.771 1.00 0.00 C ATOM 249 C TYR A 18 -5.953 8.651 1.784 1.00 0.00 C ATOM 250 O TYR A 18 -5.830 9.154 0.668 1.00 0.00 O ATOM 251 CB TYR A 18 -4.109 7.251 2.771 1.00 0.00 C ATOM 252 CG TYR A 18 -3.123 7.077 3.906 1.00 0.00 C ATOM 253 CD1 TYR A 18 -1.997 7.884 4.005 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.325 6.113 4.885 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.103 7.737 5.049 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.434 5.958 5.931 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.326 6.774 6.009 1.00 0.00 C ATOM 258 OH TYR A 18 -0.438 6.625 7.049 1.00 0.00 O ATOM 0 H TYR A 18 -6.071 8.423 4.423 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.065 9.376 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.871 6.474 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.591 7.109 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.817 8.639 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.193 5.473 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.233 8.374 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.605 5.202 6.683 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.742 5.903 7.638 1.00 0.00 H new ATOM 268 N GLY A 19 -7.078 8.097 2.215 1.00 0.00 N ATOM 269 CA GLY A 19 -8.282 8.082 1.399 1.00 0.00 C ATOM 270 C GLY A 19 -8.114 7.402 0.051 1.00 0.00 C ATOM 271 O GLY A 19 -8.949 7.583 -0.834 1.00 0.00 O ATOM 0 H GLY A 19 -7.181 7.652 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.075 7.578 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.610 9.109 1.237 1.00 0.00 H new ATOM 275 N THR A 20 -7.052 6.618 -0.118 1.00 0.00 N ATOM 276 CA THR A 20 -6.821 5.942 -1.393 1.00 0.00 C ATOM 277 C THR A 20 -6.548 4.453 -1.212 1.00 0.00 C ATOM 278 O THR A 20 -5.483 4.059 -0.740 1.00 0.00 O ATOM 279 CB THR A 20 -5.642 6.574 -2.158 1.00 0.00 C ATOM 280 OG1 THR A 20 -5.891 7.967 -2.379 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.428 5.876 -3.493 1.00 0.00 C ATOM 0 H THR A 20 -6.348 6.437 0.598 1.00 0.00 H new ATOM 0 HA THR A 20 -7.738 6.063 -1.970 1.00 0.00 H new ATOM 0 HB THR A 20 -4.742 6.457 -1.554 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.533 8.229 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.591 6.339 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.211 4.822 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.329 5.967 -4.100 1.00 0.00 H new ATOM 289 N ALA A 21 -7.517 3.628 -1.601 1.00 0.00 N ATOM 290 CA ALA A 21 -7.373 2.174 -1.501 1.00 0.00 C ATOM 291 C ALA A 21 -6.629 1.622 -2.718 1.00 0.00 C ATOM 292 O ALA A 21 -6.808 2.119 -3.831 1.00 0.00 O ATOM 293 CB ALA A 21 -8.741 1.520 -1.373 1.00 0.00 C ATOM 0 H ALA A 21 -8.409 3.938 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.789 1.943 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.622 0.439 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.240 1.892 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.342 1.760 -2.250 1.00 0.00 H new ATOM 299 N GLN A 22 -5.802 0.592 -2.509 1.00 0.00 N ATOM 300 CA GLN A 22 -5.038 -0.005 -3.605 1.00 0.00 C ATOM 301 C GLN A 22 -4.224 -1.200 -3.120 1.00 0.00 C ATOM 302 O GLN A 22 -4.218 -1.514 -1.933 1.00 0.00 O ATOM 303 CB GLN A 22 -4.110 1.034 -4.254 1.00 0.00 C ATOM 304 CG GLN A 22 -3.241 1.801 -3.267 1.00 0.00 C ATOM 305 CD GLN A 22 -2.211 2.670 -3.963 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.733 2.338 -5.046 1.00 0.00 O ATOM 307 NE2 GLN A 22 -1.867 3.793 -3.343 1.00 0.00 N ATOM 0 H GLN A 22 -5.647 0.159 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.751 -0.353 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.464 0.529 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.716 1.745 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.875 2.426 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.733 1.096 -2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.289 4.030 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.181 4.419 -3.765 1.00 0.00 H new ATOM 316 N CYS A 23 -3.537 -1.864 -4.047 1.00 0.00 N ATOM 317 CA CYS A 23 -2.730 -3.031 -3.707 1.00 0.00 C ATOM 318 C CYS A 23 -1.249 -2.665 -3.639 1.00 0.00 C ATOM 319 O CYS A 23 -0.710 -2.063 -4.568 1.00 0.00 O ATOM 320 CB CYS A 23 -2.939 -4.142 -4.739 1.00 0.00 C ATOM 321 SG CYS A 23 -4.685 -4.469 -5.144 1.00 0.00 S ATOM 0 H CYS A 23 -3.524 -1.614 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.048 -3.387 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.409 -3.876 -5.654 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.487 -5.060 -4.364 1.00 0.00 H new ATOM 326 N CYS A 24 -0.596 -3.036 -2.540 1.00 0.00 N ATOM 327 CA CYS A 24 0.825 -2.739 -2.362 1.00 0.00 C ATOM 328 C CYS A 24 1.660 -4.014 -2.389 1.00 0.00 C ATOM 329 O CYS A 24 1.586 -4.835 -1.476 1.00 0.00 O ATOM 330 CB CYS A 24 1.052 -1.986 -1.048 1.00 0.00 C ATOM 331 SG CYS A 24 0.334 -0.312 -1.026 1.00 0.00 S ATOM 0 H CYS A 24 -1.024 -3.540 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 24 1.143 -2.107 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.624 -2.565 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.124 -1.914 -0.862 1.00 0.00 H new ATOM 336 N ALA A 25 2.457 -4.171 -3.444 1.00 0.00 N ATOM 337 CA ALA A 25 3.312 -5.342 -3.588 1.00 0.00 C ATOM 338 C ALA A 25 4.603 -5.164 -2.800 1.00 0.00 C ATOM 339 O ALA A 25 5.492 -4.416 -3.207 1.00 0.00 O ATOM 340 CB ALA A 25 3.615 -5.602 -5.056 1.00 0.00 C ATOM 0 H ALA A 25 2.527 -3.501 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 25 2.782 -6.206 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.255 -6.480 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.683 -5.775 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.124 -4.737 -5.481 1.00 0.00 H new ATOM 346 N THR A 26 4.700 -5.856 -1.671 1.00 0.00 N ATOM 347 CA THR A 26 5.880 -5.766 -0.821 1.00 0.00 C ATOM 348 C THR A 26 7.077 -6.462 -1.454 1.00 0.00 C ATOM 349 O THR A 26 6.927 -7.295 -2.348 1.00 0.00 O ATOM 350 CB THR A 26 5.633 -6.386 0.566 1.00 0.00 C ATOM 351 OG1 THR A 26 5.365 -7.787 0.436 1.00 0.00 O ATOM 352 CG2 THR A 26 4.467 -5.707 1.269 1.00 0.00 C ATOM 0 H THR A 26 3.976 -6.485 -1.323 1.00 0.00 H new ATOM 0 HA THR A 26 6.092 -4.703 -0.708 1.00 0.00 H new ATOM 0 HB THR A 26 6.531 -6.240 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.211 -8.174 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.315 -6.165 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.686 -4.647 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.564 -5.822 0.670 1.00 0.00 H new ATOM 360 N ASP A 27 8.265 -6.108 -0.981 1.00 0.00 N ATOM 361 CA ASP A 27 9.501 -6.693 -1.483 1.00 0.00 C ATOM 362 C ASP A 27 9.865 -7.953 -0.701 1.00 0.00 C ATOM 363 O ASP A 27 9.323 -8.202 0.376 1.00 0.00 O ATOM 364 CB ASP A 27 10.635 -5.675 -1.386 1.00 0.00 C ATOM 365 CG ASP A 27 10.665 -4.723 -2.566 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.265 -5.079 -3.601 1.00 0.00 O ATOM 367 OD2 ASP A 27 10.088 -3.621 -2.454 1.00 0.00 O ATOM 0 H ASP A 27 8.399 -5.414 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 27 9.351 -6.969 -2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.527 -5.103 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.587 -6.202 -1.324 1.00 0.00 H new ATOM 372 N VAL A 28 10.787 -8.740 -1.248 1.00 0.00 N ATOM 373 CA VAL A 28 11.222 -9.974 -0.602 1.00 0.00 C ATOM 374 C VAL A 28 12.551 -9.782 0.124 1.00 0.00 C ATOM 375 O VAL A 28 12.693 -10.162 1.287 1.00 0.00 O ATOM 376 CB VAL A 28 11.343 -11.133 -1.612 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.202 -10.724 -2.793 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.905 -12.379 -0.942 1.00 0.00 C ATOM 0 H VAL A 28 11.247 -8.545 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 28 10.456 -10.233 0.130 1.00 0.00 H new ATOM 0 HB VAL A 28 10.345 -11.369 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.276 -11.555 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.750 -9.867 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.199 -10.456 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.981 -13.183 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.894 -12.161 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.243 -12.687 -0.133 1.00 0.00 H new ATOM 388 N LEU A 29 13.523 -9.191 -0.565 1.00 0.00 N ATOM 389 CA LEU A 29 14.836 -8.944 0.023 1.00 0.00 C ATOM 390 C LEU A 29 15.094 -7.449 0.132 1.00 0.00 C ATOM 391 O LEU A 29 15.642 -6.974 1.128 1.00 0.00 O ATOM 392 CB LEU A 29 15.932 -9.613 -0.812 1.00 0.00 C ATOM 393 CG LEU A 29 17.361 -9.413 -0.299 1.00 0.00 C ATOM 394 CD1 LEU A 29 17.571 -10.131 1.027 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.365 -9.895 -1.331 1.00 0.00 C ATOM 0 H LEU A 29 13.427 -8.875 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 29 14.852 -9.375 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.727 -10.683 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.873 -9.231 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 29 17.516 -8.347 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.594 -9.973 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.876 -9.737 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.394 -11.198 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.376 -9.746 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.204 -10.955 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.237 -9.330 -2.255 1.00 0.00 H new ATOM 407 N GLY A 30 14.694 -6.708 -0.896 1.00 0.00 N ATOM 408 CA GLY A 30 14.870 -5.270 -0.887 1.00 0.00 C ATOM 409 C GLY A 30 13.787 -4.585 -0.079 1.00 0.00 C ATOM 410 O GLY A 30 13.370 -3.471 -0.396 1.00 0.00 O ATOM 0 H GLY A 30 14.250 -7.080 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.847 -5.024 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.856 -4.894 -1.910 1.00 0.00 H new ATOM 414 N VAL A 31 13.330 -5.267 0.969 1.00 0.00 N ATOM 415 CA VAL A 31 12.284 -4.751 1.840 1.00 0.00 C ATOM 416 C VAL A 31 12.582 -3.327 2.298 1.00 0.00 C ATOM 417 O VAL A 31 13.627 -3.052 2.888 1.00 0.00 O ATOM 418 CB VAL A 31 12.085 -5.667 3.066 1.00 0.00 C ATOM 419 CG1 VAL A 31 11.400 -4.925 4.207 1.00 0.00 C ATOM 420 CG2 VAL A 31 11.281 -6.893 2.670 1.00 0.00 C ATOM 0 H VAL A 31 13.675 -6.189 1.235 1.00 0.00 H new ATOM 0 HA VAL A 31 11.363 -4.734 1.258 1.00 0.00 H new ATOM 0 HB VAL A 31 13.067 -5.982 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.275 -5.598 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.011 -4.074 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.423 -4.572 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.144 -7.535 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.307 -6.583 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.814 -7.442 1.894 1.00 0.00 H new ATOM 430 N ALA A 32 11.638 -2.437 2.019 1.00 0.00 N ATOM 431 CA ALA A 32 11.757 -1.027 2.378 1.00 0.00 C ATOM 432 C ALA A 32 10.515 -0.263 1.939 1.00 0.00 C ATOM 433 O ALA A 32 9.983 0.565 2.678 1.00 0.00 O ATOM 434 CB ALA A 32 13.001 -0.419 1.746 1.00 0.00 C ATOM 0 H ALA A 32 10.769 -2.670 1.538 1.00 0.00 H new ATOM 0 HA ALA A 32 11.848 -0.953 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.074 0.632 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.885 -0.950 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.936 -0.504 0.661 1.00 0.00 H new ATOM 440 N ASP A 33 10.063 -0.554 0.723 1.00 0.00 N ATOM 441 CA ASP A 33 8.879 0.086 0.161 1.00 0.00 C ATOM 442 C ASP A 33 8.041 -0.933 -0.607 1.00 0.00 C ATOM 443 O ASP A 33 8.544 -1.990 -0.988 1.00 0.00 O ATOM 444 CB ASP A 33 9.288 1.230 -0.769 1.00 0.00 C ATOM 445 CG ASP A 33 10.168 2.253 -0.078 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.379 1.989 0.073 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.646 3.318 0.313 1.00 0.00 O ATOM 0 H ASP A 33 10.503 -1.235 0.104 1.00 0.00 H new ATOM 0 HA ASP A 33 8.282 0.490 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.818 0.822 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.393 1.723 -1.149 1.00 0.00 H new ATOM 452 N LEU A 34 6.768 -0.619 -0.836 1.00 0.00 N ATOM 453 CA LEU A 34 5.889 -1.528 -1.570 1.00 0.00 C ATOM 454 C LEU A 34 5.305 -0.831 -2.792 1.00 0.00 C ATOM 455 O LEU A 34 4.815 0.294 -2.699 1.00 0.00 O ATOM 456 CB LEU A 34 4.736 -2.059 -0.699 1.00 0.00 C ATOM 457 CG LEU A 34 4.814 -1.772 0.801 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.519 -2.200 1.485 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.001 -2.498 1.416 1.00 0.00 C ATOM 0 H LEU A 34 6.325 0.247 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 34 6.502 -2.376 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.804 -1.639 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.677 -3.139 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 34 4.949 -0.700 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.585 -1.991 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.682 -1.647 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.363 -3.268 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.044 -2.285 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.889 -3.572 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.921 -2.159 0.941 1.00 0.00 H new ATOM 471 N ASP A 35 5.359 -1.502 -3.936 1.00 0.00 N ATOM 472 CA ASP A 35 4.818 -0.946 -5.170 1.00 0.00 C ATOM 473 C ASP A 35 3.297 -0.891 -5.091 1.00 0.00 C ATOM 474 O ASP A 35 2.619 -1.892 -5.316 1.00 0.00 O ATOM 475 CB ASP A 35 5.252 -1.794 -6.368 1.00 0.00 C ATOM 476 CG ASP A 35 6.759 -1.863 -6.514 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.372 -2.771 -5.914 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.327 -1.011 -7.229 1.00 0.00 O ATOM 0 H ASP A 35 5.771 -2.430 -4.035 1.00 0.00 H new ATOM 0 HA ASP A 35 5.204 0.065 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.854 -2.803 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.820 -1.379 -7.279 1.00 0.00 H new ATOM 483 N CYS A 36 2.767 0.287 -4.775 1.00 0.00 N ATOM 484 CA CYS A 36 1.325 0.465 -4.646 1.00 0.00 C ATOM 485 C CYS A 36 0.705 1.029 -5.922 1.00 0.00 C ATOM 486 O CYS A 36 1.045 2.131 -6.353 1.00 0.00 O ATOM 487 CB CYS A 36 1.018 1.384 -3.459 1.00 0.00 C ATOM 488 SG CYS A 36 1.769 0.838 -1.890 1.00 0.00 S ATOM 0 H CYS A 36 3.314 1.131 -4.604 1.00 0.00 H new ATOM 0 HA CYS A 36 0.883 -0.516 -4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.371 2.389 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.063 1.447 -3.331 1.00 0.00 H new ATOM 493 N ALA A 37 -0.209 0.263 -6.520 1.00 0.00 N ATOM 494 CA ALA A 37 -0.887 0.691 -7.738 1.00 0.00 C ATOM 495 C ALA A 37 -2.384 0.832 -7.492 1.00 0.00 C ATOM 496 O ALA A 37 -3.027 -0.084 -6.979 1.00 0.00 O ATOM 497 CB ALA A 37 -0.625 -0.288 -8.869 1.00 0.00 C ATOM 0 H ALA A 37 -0.494 -0.655 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.490 1.664 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.140 0.049 -9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.446 -0.342 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.993 -1.275 -8.589 1.00 0.00 H new ATOM 503 N ASN A 38 -2.932 1.981 -7.868 1.00 0.00 N ATOM 504 CA ASN A 38 -4.351 2.251 -7.670 1.00 0.00 C ATOM 505 C ASN A 38 -5.213 1.519 -8.700 1.00 0.00 C ATOM 506 O ASN A 38 -5.052 1.717 -9.904 1.00 0.00 O ATOM 507 CB ASN A 38 -4.613 3.746 -7.741 1.00 0.00 C ATOM 508 CG ASN A 38 -5.972 4.143 -7.180 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.978 3.296 -7.384 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.116 5.204 -6.575 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.416 2.741 -8.312 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.625 1.881 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.832 4.272 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.546 4.071 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.319 5.826 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.032 5.462 -6.209 1.00 0.00 H new ATOM 517 N PRO A 39 -6.145 0.659 -8.236 1.00 0.00 N ATOM 518 CA PRO A 39 -7.041 -0.083 -9.118 1.00 0.00 C ATOM 519 C PRO A 39 -8.274 0.733 -9.509 1.00 0.00 C ATOM 520 O PRO A 39 -9.155 0.964 -8.680 1.00 0.00 O ATOM 521 CB PRO A 39 -7.448 -1.278 -8.258 1.00 0.00 C ATOM 522 CG PRO A 39 -7.424 -0.763 -6.860 1.00 0.00 C ATOM 523 CD PRO A 39 -6.381 0.327 -6.815 1.00 0.00 C ATOM 0 HA PRO A 39 -6.566 -0.352 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.439 -1.642 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.757 -2.111 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.402 -0.375 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.180 -1.561 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.734 1.194 -6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.468 -0.015 -6.329 1.00 0.00 H new ATOM 531 N PRO A 40 -8.359 1.187 -10.775 1.00 0.00 N ATOM 532 CA PRO A 40 -9.503 1.975 -11.242 1.00 0.00 C ATOM 533 C PRO A 40 -10.765 1.128 -11.365 1.00 0.00 C ATOM 534 O PRO A 40 -10.883 0.304 -12.274 1.00 0.00 O ATOM 535 CB PRO A 40 -9.056 2.473 -12.618 1.00 0.00 C ATOM 536 CG PRO A 40 -8.060 1.466 -13.080 1.00 0.00 C ATOM 537 CD PRO A 40 -7.359 0.977 -11.842 1.00 0.00 C ATOM 0 HA PRO A 40 -9.759 2.778 -10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.898 2.542 -13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.614 3.467 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.550 0.644 -13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.352 1.910 -13.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.078 -0.073 -11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.444 1.538 -11.651 1.00 0.00 H new ATOM 545 N ALA A 41 -11.709 1.354 -10.452 1.00 0.00 N ATOM 546 CA ALA A 41 -12.972 0.618 -10.432 1.00 0.00 C ATOM 547 C ALA A 41 -13.773 0.963 -9.182 1.00 0.00 C ATOM 548 O ALA A 41 -13.289 1.671 -8.298 1.00 0.00 O ATOM 549 CB ALA A 41 -12.722 -0.884 -10.482 1.00 0.00 C ATOM 0 H ALA A 41 -11.621 2.048 -9.710 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.544 0.910 -11.313 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.675 -1.412 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.184 -1.133 -11.397 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.127 -1.183 -9.619 1.00 0.00 H new ATOM 555 N THR A 42 -15.003 0.463 -9.117 1.00 0.00 N ATOM 556 CA THR A 42 -15.867 0.710 -7.970 1.00 0.00 C ATOM 557 C THR A 42 -15.841 -0.467 -6.998 1.00 0.00 C ATOM 558 O THR A 42 -16.524 -1.471 -7.201 1.00 0.00 O ATOM 559 CB THR A 42 -17.318 0.981 -8.411 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.187 0.970 -7.272 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.787 -0.051 -9.426 1.00 0.00 C ATOM 0 H THR A 42 -15.423 -0.115 -9.845 1.00 0.00 H new ATOM 0 HA THR A 42 -15.483 1.596 -7.464 1.00 0.00 H new ATOM 0 HB THR A 42 -17.349 1.963 -8.883 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.107 1.145 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.814 0.167 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.144 -0.015 -10.306 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.739 -1.046 -8.982 1.00 0.00 H new ATOM 569 N LEU A 43 -15.038 -0.337 -5.945 1.00 0.00 N ATOM 570 CA LEU A 43 -14.918 -1.386 -4.938 1.00 0.00 C ATOM 571 C LEU A 43 -16.278 -1.678 -4.305 1.00 0.00 C ATOM 572 O LEU A 43 -16.690 -1.007 -3.358 1.00 0.00 O ATOM 573 CB LEU A 43 -13.911 -0.966 -3.854 1.00 0.00 C ATOM 574 CG LEU A 43 -12.664 -0.236 -4.370 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.880 0.361 -3.211 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.782 -1.180 -5.175 1.00 0.00 C ATOM 0 H LEU A 43 -14.461 0.485 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.558 -2.293 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.420 -0.321 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.593 -1.856 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.988 0.573 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.999 0.875 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.509 1.071 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.570 -0.435 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.904 -0.642 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.467 -2.011 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.343 -1.564 -6.027 1.00 0.00 H new ATOM 588 N ALA A 44 -16.968 -2.683 -4.845 1.00 0.00 N ATOM 589 CA ALA A 44 -18.285 -3.074 -4.350 1.00 0.00 C ATOM 590 C ALA A 44 -18.288 -3.228 -2.833 1.00 0.00 C ATOM 591 O ALA A 44 -19.202 -2.763 -2.153 1.00 0.00 O ATOM 592 CB ALA A 44 -18.727 -4.371 -5.010 1.00 0.00 C ATOM 0 H ALA A 44 -16.633 -3.243 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.989 -2.282 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.710 -4.654 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.778 -4.231 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -18.010 -5.159 -4.780 1.00 0.00 H new ATOM 598 N ASN A 45 -17.259 -3.887 -2.311 1.00 0.00 N ATOM 599 CA ASN A 45 -17.136 -4.100 -0.874 1.00 0.00 C ATOM 600 C ASN A 45 -15.697 -4.441 -0.505 1.00 0.00 C ATOM 601 O ASN A 45 -14.786 -4.279 -1.318 1.00 0.00 O ATOM 602 CB ASN A 45 -18.089 -5.208 -0.406 1.00 0.00 C ATOM 603 CG ASN A 45 -18.044 -6.445 -1.286 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.854 -6.814 -1.743 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -19.073 -7.072 -1.540 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.498 -4.283 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.412 -3.175 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.836 -5.488 0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -19.107 -4.819 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.968 -6.755 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.030 -7.909 -2.122 1.00 0.00 H new ATOM 612 N ALA A 46 -15.495 -4.915 0.718 1.00 0.00 N ATOM 613 CA ALA A 46 -14.161 -5.268 1.180 1.00 0.00 C ATOM 614 C ALA A 46 -13.643 -6.518 0.479 1.00 0.00 C ATOM 615 O ALA A 46 -12.630 -6.472 -0.211 1.00 0.00 O ATOM 616 CB ALA A 46 -14.163 -5.462 2.688 1.00 0.00 C ATOM 0 H ALA A 46 -16.235 -5.063 1.404 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.488 -4.447 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.160 -5.726 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.476 -4.538 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.855 -6.262 2.951 1.00 0.00 H new ATOM 622 N THR A 47 -14.355 -7.627 0.645 1.00 0.00 N ATOM 623 CA THR A 47 -13.963 -8.896 0.035 1.00 0.00 C ATOM 624 C THR A 47 -13.625 -8.737 -1.447 1.00 0.00 C ATOM 625 O THR A 47 -12.956 -9.590 -2.034 1.00 0.00 O ATOM 626 CB THR A 47 -15.077 -9.950 0.180 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.515 -10.018 1.542 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.587 -11.320 -0.266 1.00 0.00 C ATOM 0 H THR A 47 -15.210 -7.675 1.199 1.00 0.00 H new ATOM 0 HA THR A 47 -13.071 -9.230 0.566 1.00 0.00 H new ATOM 0 HB THR A 47 -15.911 -9.653 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.224 -10.689 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.391 -12.048 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.281 -11.274 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.738 -11.620 0.348 1.00 0.00 H new ATOM 636 N HIS A 48 -14.078 -7.642 -2.047 1.00 0.00 N ATOM 637 CA HIS A 48 -13.843 -7.398 -3.464 1.00 0.00 C ATOM 638 C HIS A 48 -12.433 -6.888 -3.732 1.00 0.00 C ATOM 639 O HIS A 48 -11.708 -7.472 -4.540 1.00 0.00 O ATOM 640 CB HIS A 48 -14.871 -6.407 -4.014 1.00 0.00 C ATOM 641 CG HIS A 48 -14.822 -6.252 -5.504 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.636 -6.966 -6.358 1.00 0.00 N ATOM 643 CD2 HIS A 48 -14.054 -5.460 -6.293 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.371 -6.621 -7.606 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.416 -5.710 -7.593 1.00 0.00 N ATOM 0 H HIS A 48 -14.609 -6.911 -1.575 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.952 -8.354 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.869 -6.735 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.708 -5.434 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.299 -4.763 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.854 -7.017 -8.487 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.012 -5.264 -8.416 1.00 0.00 H new ATOM 654 N PHE A 49 -12.031 -5.807 -3.064 1.00 0.00 N ATOM 655 CA PHE A 49 -10.698 -5.267 -3.288 1.00 0.00 C ATOM 656 C PHE A 49 -9.673 -6.017 -2.452 1.00 0.00 C ATOM 657 O PHE A 49 -8.473 -5.954 -2.719 1.00 0.00 O ATOM 658 CB PHE A 49 -10.647 -3.747 -3.061 1.00 0.00 C ATOM 659 CG PHE A 49 -10.505 -3.282 -1.640 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.302 -3.789 -0.629 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.583 -2.296 -1.331 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.179 -3.319 0.665 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.451 -1.827 -0.043 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.251 -2.337 0.957 1.00 0.00 C ATOM 0 H PHE A 49 -12.595 -5.301 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.441 -5.420 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.813 -3.345 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.557 -3.311 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.026 -4.558 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.958 -1.889 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.807 -3.719 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.723 -1.062 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.153 -1.970 1.968 1.00 0.00 H new ATOM 674 N GLU A 50 -10.151 -6.724 -1.434 1.00 0.00 N ATOM 675 CA GLU A 50 -9.272 -7.527 -0.601 1.00 0.00 C ATOM 676 C GLU A 50 -8.791 -8.726 -1.411 1.00 0.00 C ATOM 677 O GLU A 50 -7.642 -9.153 -1.292 1.00 0.00 O ATOM 678 CB GLU A 50 -10.003 -8.017 0.665 1.00 0.00 C ATOM 679 CG GLU A 50 -10.435 -6.913 1.621 1.00 0.00 C ATOM 680 CD GLU A 50 -11.246 -7.446 2.787 1.00 0.00 C ATOM 681 OE1 GLU A 50 -12.345 -7.988 2.549 1.00 0.00 O ATOM 682 OE2 GLU A 50 -10.779 -7.326 3.939 1.00 0.00 O ATOM 0 H GLU A 50 -11.136 -6.756 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.426 -6.916 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.885 -8.582 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.350 -8.707 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.552 -6.398 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.025 -6.175 1.078 1.00 0.00 H new ATOM 689 N SER A 51 -9.690 -9.264 -2.237 1.00 0.00 N ATOM 690 CA SER A 51 -9.367 -10.407 -3.082 1.00 0.00 C ATOM 691 C SER A 51 -8.630 -9.965 -4.345 1.00 0.00 C ATOM 692 O SER A 51 -7.769 -10.683 -4.852 1.00 0.00 O ATOM 693 CB SER A 51 -10.645 -11.159 -3.460 1.00 0.00 C ATOM 694 OG SER A 51 -10.358 -12.278 -4.280 1.00 0.00 O ATOM 0 H SER A 51 -10.647 -8.924 -2.336 1.00 0.00 H new ATOM 0 HA SER A 51 -8.712 -11.071 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.157 -11.489 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.325 -10.486 -3.983 1.00 0.00 H new ATOM 0 HG SER A 51 -11.192 -12.741 -4.505 1.00 0.00 H new ATOM 700 N THR A 52 -8.973 -8.779 -4.850 1.00 0.00 N ATOM 701 CA THR A 52 -8.338 -8.253 -6.055 1.00 0.00 C ATOM 702 C THR A 52 -6.838 -8.072 -5.841 1.00 0.00 C ATOM 703 O THR A 52 -6.049 -8.178 -6.780 1.00 0.00 O ATOM 704 CB THR A 52 -8.974 -6.914 -6.501 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.850 -6.767 -7.921 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.320 -5.719 -5.817 1.00 0.00 C ATOM 0 H THR A 52 -9.683 -8.169 -4.445 1.00 0.00 H new ATOM 0 HA THR A 52 -8.499 -8.983 -6.848 1.00 0.00 H new ATOM 0 HB THR A 52 -10.025 -6.938 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.255 -5.919 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.796 -4.799 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.437 -5.809 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.259 -5.693 -6.066 1.00 0.00 H new ATOM 714 N CYS A 53 -6.452 -7.796 -4.597 1.00 0.00 N ATOM 715 CA CYS A 53 -5.046 -7.616 -4.253 1.00 0.00 C ATOM 716 C CYS A 53 -4.402 -8.960 -3.924 1.00 0.00 C ATOM 717 O CYS A 53 -3.321 -9.280 -4.419 1.00 0.00 O ATOM 718 CB CYS A 53 -4.902 -6.667 -3.060 1.00 0.00 C ATOM 719 SG CYS A 53 -5.519 -4.979 -3.365 1.00 0.00 S ATOM 0 H CYS A 53 -7.094 -7.692 -3.811 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.538 -7.180 -5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.437 -7.088 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.850 -6.612 -2.780 1.00 0.00 H new ATOM 724 N ALA A 54 -5.079 -9.742 -3.084 1.00 0.00 N ATOM 725 CA ALA A 54 -4.585 -11.055 -2.684 1.00 0.00 C ATOM 726 C ALA A 54 -4.419 -11.983 -3.885 1.00 0.00 C ATOM 727 O ALA A 54 -3.773 -13.026 -3.784 1.00 0.00 O ATOM 728 CB ALA A 54 -5.526 -11.681 -1.667 1.00 0.00 C ATOM 0 H ALA A 54 -5.974 -9.486 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.603 -10.917 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.147 -12.661 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.590 -11.040 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.517 -11.791 -2.108 1.00 0.00 H new ATOM 734 N ALA A 55 -5.009 -11.602 -5.016 1.00 0.00 N ATOM 735 CA ALA A 55 -4.924 -12.404 -6.234 1.00 0.00 C ATOM 736 C ALA A 55 -3.478 -12.771 -6.545 1.00 0.00 C ATOM 737 O ALA A 55 -3.161 -13.934 -6.789 1.00 0.00 O ATOM 738 CB ALA A 55 -5.539 -11.657 -7.407 1.00 0.00 C ATOM 0 H ALA A 55 -5.551 -10.743 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.484 -13.325 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.467 -12.269 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.587 -11.446 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.004 -10.720 -7.562 1.00 0.00 H new ATOM 744 N ILE A 56 -2.609 -11.767 -6.534 1.00 0.00 N ATOM 745 CA ILE A 56 -1.192 -11.983 -6.809 1.00 0.00 C ATOM 746 C ILE A 56 -0.432 -12.301 -5.527 1.00 0.00 C ATOM 747 O ILE A 56 0.744 -12.665 -5.563 1.00 0.00 O ATOM 748 CB ILE A 56 -0.552 -10.757 -7.491 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.708 -9.516 -6.608 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.182 -10.532 -8.857 1.00 0.00 C ATOM 751 CD1 ILE A 56 -0.064 -8.274 -7.189 1.00 0.00 C ATOM 0 H ILE A 56 -2.859 -10.798 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.126 -12.833 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 56 0.513 -10.944 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.769 -9.324 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.271 -9.719 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.723 -9.664 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.023 -11.412 -9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.252 -10.359 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.214 -7.435 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.004 -8.446 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.518 -8.046 -8.153 1.00 0.00 H new ATOM 763 N GLY A 57 -1.114 -12.158 -4.395 1.00 0.00 N ATOM 764 CA GLY A 57 -0.493 -12.440 -3.112 1.00 0.00 C ATOM 765 C GLY A 57 -0.252 -11.188 -2.289 1.00 0.00 C ATOM 766 O GLY A 57 0.605 -11.179 -1.405 1.00 0.00 O ATOM 0 H GLY A 57 -2.086 -11.852 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.128 -13.123 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.456 -12.950 -3.277 1.00 0.00 H new ATOM 770 N GLN A 58 -1.006 -10.129 -2.576 1.00 0.00 N ATOM 771 CA GLN A 58 -0.861 -8.872 -1.849 1.00 0.00 C ATOM 772 C GLN A 58 -2.061 -8.630 -0.939 1.00 0.00 C ATOM 773 O GLN A 58 -2.815 -9.552 -0.631 1.00 0.00 O ATOM 774 CB GLN A 58 -0.701 -7.700 -2.823 1.00 0.00 C ATOM 775 CG GLN A 58 0.568 -7.737 -3.672 1.00 0.00 C ATOM 776 CD GLN A 58 1.702 -8.539 -3.053 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.423 -8.050 -2.183 1.00 0.00 O ATOM 778 NE2 GLN A 58 1.880 -9.771 -3.522 1.00 0.00 N ATOM 0 H GLN A 58 -1.720 -10.117 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 58 0.035 -8.943 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.565 -7.679 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.713 -6.770 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.328 -8.160 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.909 -6.716 -3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.259 -10.137 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.638 -10.350 -3.160 1.00 0.00 H new ATOM 787 N ARG A 59 -2.230 -7.383 -0.507 1.00 0.00 N ATOM 788 CA ARG A 59 -3.333 -7.020 0.374 1.00 0.00 C ATOM 789 C ARG A 59 -3.782 -5.588 0.129 1.00 0.00 C ATOM 790 O ARG A 59 -3.037 -4.768 -0.409 1.00 0.00 O ATOM 791 CB ARG A 59 -2.919 -7.177 1.839 1.00 0.00 C ATOM 792 CG ARG A 59 -1.865 -6.175 2.275 1.00 0.00 C ATOM 793 CD ARG A 59 -0.463 -6.647 1.922 1.00 0.00 C ATOM 794 NE ARG A 59 -0.085 -7.841 2.672 1.00 0.00 N ATOM 795 CZ ARG A 59 0.806 -8.732 2.243 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.400 -8.569 1.069 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.100 -9.788 2.988 1.00 0.00 N ATOM 0 H ARG A 59 -1.616 -6.607 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.164 -7.690 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.799 -7.067 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.538 -8.186 1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.057 -5.214 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.936 -6.017 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.409 -6.857 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.251 -5.849 2.126 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.529 -8.002 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.175 -7.759 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.082 -9.254 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.643 -9.918 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.783 -10.470 2.659 1.00 0.00 H new ATOM 811 N ALA A 60 -5.011 -5.300 0.533 1.00 0.00 N ATOM 812 CA ALA A 60 -5.580 -3.967 0.382 1.00 0.00 C ATOM 813 C ALA A 60 -4.915 -2.992 1.351 1.00 0.00 C ATOM 814 O ALA A 60 -4.869 -3.237 2.556 1.00 0.00 O ATOM 815 CB ALA A 60 -7.086 -4.008 0.607 1.00 0.00 C ATOM 0 H ALA A 60 -5.637 -5.976 0.971 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.393 -3.619 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.499 -3.006 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.545 -4.676 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.294 -4.372 1.613 1.00 0.00 H new ATOM 821 N ARG A 61 -4.406 -1.884 0.818 1.00 0.00 N ATOM 822 CA ARG A 61 -3.731 -0.878 1.633 1.00 0.00 C ATOM 823 C ARG A 61 -4.250 0.522 1.315 1.00 0.00 C ATOM 824 O ARG A 61 -5.158 0.691 0.500 1.00 0.00 O ATOM 825 CB ARG A 61 -2.222 -0.928 1.385 1.00 0.00 C ATOM 826 CG ARG A 61 -1.611 -2.303 1.605 1.00 0.00 C ATOM 827 CD ARG A 61 -1.343 -2.575 3.072 1.00 0.00 C ATOM 828 NE ARG A 61 -0.065 -2.020 3.513 1.00 0.00 N ATOM 829 CZ ARG A 61 0.473 -2.258 4.706 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.161 -3.022 5.587 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.650 -1.733 5.021 1.00 0.00 N ATOM 0 H ARG A 61 -4.448 -1.660 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.938 -1.098 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.020 -0.610 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.731 -0.212 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.283 -3.066 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.679 -2.380 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.148 -2.150 3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.350 -3.651 3.247 1.00 0.00 H new ATOM 0 HE ARG A 61 0.444 -1.415 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.065 -3.430 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.256 -3.201 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.143 -1.146 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.062 -1.916 5.936 1.00 0.00 H new ATOM 845 N CYS A 62 -3.662 1.521 1.966 1.00 0.00 N ATOM 846 CA CYS A 62 -4.040 2.916 1.756 1.00 0.00 C ATOM 847 C CYS A 62 -2.828 3.826 1.971 1.00 0.00 C ATOM 848 O CYS A 62 -2.354 3.968 3.096 1.00 0.00 O ATOM 849 CB CYS A 62 -5.170 3.314 2.710 1.00 0.00 C ATOM 850 SG CYS A 62 -6.721 2.391 2.464 1.00 0.00 S ATOM 0 H CYS A 62 -2.916 1.389 2.649 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.393 3.030 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.832 3.166 3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.372 4.378 2.591 1.00 0.00 H new ATOM 855 N CYS A 63 -2.331 4.448 0.898 1.00 0.00 N ATOM 856 CA CYS A 63 -1.158 5.315 0.996 1.00 0.00 C ATOM 857 C CYS A 63 -1.467 6.730 0.520 1.00 0.00 C ATOM 858 O CYS A 63 -2.495 6.969 -0.114 1.00 0.00 O ATOM 859 CB CYS A 63 -0.017 4.732 0.166 1.00 0.00 C ATOM 860 SG CYS A 63 -0.087 2.923 -0.020 1.00 0.00 S ATOM 0 H CYS A 63 -2.721 4.367 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.865 5.368 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.030 5.190 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.931 5.003 0.630 1.00 0.00 H new ATOM 865 N LYS A 64 -0.569 7.669 0.828 1.00 0.00 N ATOM 866 CA LYS A 64 -0.767 9.065 0.423 1.00 0.00 C ATOM 867 C LYS A 64 -0.092 9.362 -0.922 1.00 0.00 C ATOM 868 O LYS A 64 0.587 8.502 -1.486 1.00 0.00 O ATOM 869 CB LYS A 64 -0.264 10.020 1.524 1.00 0.00 C ATOM 870 CG LYS A 64 0.971 10.848 1.163 1.00 0.00 C ATOM 871 CD LYS A 64 2.235 10.005 1.112 1.00 0.00 C ATOM 872 CE LYS A 64 2.711 9.639 2.503 1.00 0.00 C ATOM 873 NZ LYS A 64 4.082 9.051 2.488 1.00 0.00 N ATOM 0 H LYS A 64 0.290 7.494 1.349 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.836 9.229 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.073 10.702 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.039 9.433 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.816 11.325 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.098 11.646 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.046 9.097 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.019 10.553 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.705 10.528 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.016 8.927 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.322 8.706 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.113 8.259 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.768 9.777 2.199 1.00 0.00 H new ATOM 887 N ASP A 65 -0.309 10.583 -1.427 1.00 0.00 N ATOM 888 CA ASP A 65 0.266 11.040 -2.698 1.00 0.00 C ATOM 889 C ASP A 65 -0.504 10.481 -3.892 1.00 0.00 C ATOM 890 O ASP A 65 -0.118 10.687 -5.043 1.00 0.00 O ATOM 891 CB ASP A 65 1.751 10.667 -2.796 1.00 0.00 C ATOM 892 CG ASP A 65 2.443 11.333 -3.970 1.00 0.00 C ATOM 893 OD1 ASP A 65 2.858 12.503 -3.830 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.572 10.684 -5.029 1.00 0.00 O ATOM 0 H ASP A 65 -0.889 11.283 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 65 0.181 12.126 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.255 10.952 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.845 9.585 -2.890 1.00 0.00 H new ATOM 899 N ASP A 66 -1.595 9.779 -3.612 1.00 0.00 N ATOM 900 CA ASP A 66 -2.424 9.199 -4.663 1.00 0.00 C ATOM 901 C ASP A 66 -3.850 9.743 -4.580 1.00 0.00 C ATOM 902 O ASP A 66 -4.805 9.080 -4.982 1.00 0.00 O ATOM 903 CB ASP A 66 -2.432 7.673 -4.553 1.00 0.00 C ATOM 904 CG ASP A 66 -2.838 6.997 -5.850 1.00 0.00 C ATOM 905 OD1 ASP A 66 -4.054 6.877 -6.104 1.00 0.00 O ATOM 906 OD2 ASP A 66 -1.937 6.589 -6.612 1.00 0.00 O ATOM 0 H ASP A 66 -1.927 9.597 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.002 9.477 -5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.440 7.328 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.118 7.373 -3.761 1.00 0.00 H new ATOM 911 N VAL A 67 -3.982 10.960 -4.056 1.00 0.00 N ATOM 912 CA VAL A 67 -5.290 11.592 -3.898 1.00 0.00 C ATOM 913 C VAL A 67 -5.559 12.617 -4.995 1.00 0.00 C ATOM 914 O VAL A 67 -6.677 12.722 -5.498 1.00 0.00 O ATOM 915 CB VAL A 67 -5.421 12.280 -2.523 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.294 11.260 -1.403 1.00 0.00 C ATOM 917 CG2 VAL A 67 -4.380 13.379 -2.368 1.00 0.00 C ATOM 0 H VAL A 67 -3.199 11.528 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.028 10.794 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.409 12.737 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.389 11.763 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.081 10.512 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.321 10.773 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.491 13.850 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.382 12.949 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.520 14.126 -3.149 1.00 0.00 H new ATOM 927 N THR A 68 -4.529 13.378 -5.354 1.00 0.00 N ATOM 928 CA THR A 68 -4.649 14.392 -6.397 1.00 0.00 C ATOM 929 C THR A 68 -4.579 13.751 -7.781 1.00 0.00 C ATOM 930 O THR A 68 -3.842 14.207 -8.655 1.00 0.00 O ATOM 931 CB THR A 68 -3.544 15.464 -6.275 1.00 0.00 C ATOM 932 OG1 THR A 68 -3.737 16.483 -7.265 1.00 0.00 O ATOM 933 CG2 THR A 68 -2.160 14.848 -6.444 1.00 0.00 C ATOM 0 H THR A 68 -3.600 13.311 -4.937 1.00 0.00 H new ATOM 0 HA THR A 68 -5.618 14.875 -6.267 1.00 0.00 H new ATOM 0 HB THR A 68 -3.609 15.902 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.594 16.104 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.402 15.626 -6.353 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.001 14.094 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.086 14.383 -7.427 1.00 0.00 H new ATOM 941 N ASN A 69 -5.356 12.685 -7.960 1.00 0.00 N ATOM 942 CA ASN A 69 -5.397 11.946 -9.210 1.00 0.00 C ATOM 943 C ASN A 69 -5.365 12.869 -10.415 1.00 0.00 C ATOM 944 O ASN A 69 -6.389 13.383 -10.869 1.00 0.00 O ATOM 945 CB ASN A 69 -6.651 11.072 -9.262 1.00 0.00 C ATOM 946 CG ASN A 69 -6.682 10.043 -8.148 1.00 0.00 C ATOM 947 OD1 ASN A 69 -6.178 8.930 -8.302 1.00 0.00 O ATOM 948 ND2 ASN A 69 -7.276 10.411 -7.019 1.00 0.00 N ATOM 0 H ASN A 69 -5.974 12.313 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.508 11.317 -9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.536 11.705 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.697 10.563 -10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.328 9.761 -6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.680 11.344 -6.936 1.00 0.00 H new ATOM 955 N THR A 70 -4.163 13.060 -10.913 1.00 0.00 N ATOM 956 CA THR A 70 -3.913 13.874 -12.093 1.00 0.00 C ATOM 957 C THR A 70 -2.991 13.106 -13.032 1.00 0.00 C ATOM 958 O THR A 70 -2.623 13.578 -14.107 1.00 0.00 O ATOM 959 CB THR A 70 -3.275 15.231 -11.725 1.00 0.00 C ATOM 960 OG1 THR A 70 -4.018 15.846 -10.666 1.00 0.00 O ATOM 961 CG2 THR A 70 -3.244 16.167 -12.926 1.00 0.00 C ATOM 0 H THR A 70 -3.320 12.652 -10.509 1.00 0.00 H new ATOM 0 HA THR A 70 -4.866 14.082 -12.580 1.00 0.00 H new ATOM 0 HB THR A 70 -2.251 15.046 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.046 15.244 -9.893 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.790 17.115 -12.637 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.659 15.713 -13.726 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.261 16.344 -13.276 1.00 0.00 H new ATOM 969 N GLY A 71 -2.637 11.901 -12.597 1.00 0.00 N ATOM 970 CA GLY A 71 -1.756 11.045 -13.352 1.00 0.00 C ATOM 971 C GLY A 71 -0.867 10.222 -12.440 1.00 0.00 C ATOM 972 O GLY A 71 0.076 9.574 -12.893 1.00 0.00 O ATOM 0 H GLY A 71 -2.956 11.500 -11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.345 10.381 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.138 11.651 -14.015 1.00 0.00 H new ATOM 976 N ASN A 72 -1.178 10.251 -11.143 1.00 0.00 N ATOM 977 CA ASN A 72 -0.412 9.508 -10.147 1.00 0.00 C ATOM 978 C ASN A 72 -1.054 8.151 -9.868 1.00 0.00 C ATOM 979 O ASN A 72 -1.808 7.996 -8.908 1.00 0.00 O ATOM 980 CB ASN A 72 -0.307 10.313 -8.846 1.00 0.00 C ATOM 981 CG ASN A 72 0.257 11.703 -9.071 1.00 0.00 C ATOM 982 OD1 ASN A 72 1.052 11.923 -9.985 1.00 0.00 O ATOM 983 ND2 ASN A 72 -0.155 12.650 -8.237 1.00 0.00 N ATOM 0 H ASN A 72 -1.958 10.784 -10.759 1.00 0.00 H new ATOM 0 HA ASN A 72 0.589 9.342 -10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.294 10.394 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.327 9.776 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.188 13.605 -8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.815 12.423 -7.493 1.00 0.00 H new ATOM 990 N SER A 73 -0.747 7.172 -10.713 1.00 0.00 N ATOM 991 CA SER A 73 -1.293 5.827 -10.558 1.00 0.00 C ATOM 992 C SER A 73 -0.385 4.967 -9.686 1.00 0.00 C ATOM 993 O SER A 73 -0.763 4.560 -8.587 1.00 0.00 O ATOM 994 CB SER A 73 -1.479 5.166 -11.926 1.00 0.00 C ATOM 995 OG SER A 73 -2.016 3.862 -11.793 1.00 0.00 O ATOM 0 H SER A 73 -0.123 7.284 -11.512 1.00 0.00 H new ATOM 0 HA SER A 73 -2.263 5.912 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.142 5.775 -12.540 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.521 5.117 -12.443 1.00 0.00 H new ATOM 0 HG SER A 73 -2.127 3.462 -12.681 1.00 0.00 H new ATOM 1001 N PHE A 74 0.816 4.693 -10.185 1.00 0.00 N ATOM 1002 CA PHE A 74 1.784 3.879 -9.450 1.00 0.00 C ATOM 1003 C PHE A 74 2.788 4.764 -8.714 1.00 0.00 C ATOM 1004 O PHE A 74 3.400 5.650 -9.311 1.00 0.00 O ATOM 1005 CB PHE A 74 2.516 2.926 -10.407 1.00 0.00 C ATOM 1006 CG PHE A 74 3.840 2.440 -9.884 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.899 1.615 -8.772 1.00 0.00 C ATOM 1008 CD2 PHE A 74 5.024 2.811 -10.503 1.00 0.00 C ATOM 1009 CE1 PHE A 74 5.112 1.169 -8.286 1.00 0.00 C ATOM 1010 CE2 PHE A 74 6.241 2.367 -10.021 1.00 0.00 C ATOM 1011 CZ PHE A 74 6.285 1.546 -8.911 1.00 0.00 C ATOM 0 H PHE A 74 1.144 5.021 -11.093 1.00 0.00 H new ATOM 0 HA PHE A 74 1.242 3.288 -8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.877 2.066 -10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.676 3.433 -11.358 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.985 1.317 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.995 3.453 -11.371 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.144 0.526 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.157 2.662 -10.512 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.235 1.199 -8.532 1.00 0.00 H new ATOM 1021 N LEU A 75 2.954 4.520 -7.413 1.00 0.00 N ATOM 1022 CA LEU A 75 3.885 5.303 -6.608 1.00 0.00 C ATOM 1023 C LEU A 75 4.784 4.401 -5.769 1.00 0.00 C ATOM 1024 O LEU A 75 4.414 3.278 -5.425 1.00 0.00 O ATOM 1025 CB LEU A 75 3.125 6.259 -5.683 1.00 0.00 C ATOM 1026 CG LEU A 75 2.034 7.091 -6.361 1.00 0.00 C ATOM 1027 CD1 LEU A 75 1.188 7.808 -5.320 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.649 8.093 -7.326 1.00 0.00 C ATOM 0 H LEU A 75 2.458 3.791 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 75 4.506 5.878 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.671 5.678 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.842 6.937 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 75 1.390 6.418 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.417 8.395 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.718 7.074 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.822 8.469 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.858 8.676 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.316 8.761 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.215 7.561 -8.091 1.00 0.00 H new ATOM 1040 N ILE A 76 5.967 4.908 -5.447 1.00 0.00 N ATOM 1041 CA ILE A 76 6.925 4.177 -4.628 1.00 0.00 C ATOM 1042 C ILE A 76 7.024 4.849 -3.267 1.00 0.00 C ATOM 1043 O ILE A 76 7.716 5.855 -3.113 1.00 0.00 O ATOM 1044 CB ILE A 76 8.323 4.136 -5.280 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.230 3.578 -6.704 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.275 3.299 -4.435 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.549 3.586 -7.450 1.00 0.00 C ATOM 0 H ILE A 76 6.288 5.830 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 76 6.574 3.150 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 76 8.714 5.152 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.854 2.556 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.501 4.162 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.258 3.278 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.359 3.737 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.891 2.282 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.404 3.177 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.917 4.609 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.276 2.978 -6.911 1.00 0.00 H new ATOM 1059 N ILE A 77 6.331 4.293 -2.283 1.00 0.00 N ATOM 1060 CA ILE A 77 6.315 4.880 -0.951 1.00 0.00 C ATOM 1061 C ILE A 77 6.677 3.880 0.137 1.00 0.00 C ATOM 1062 O ILE A 77 6.631 2.667 -0.065 1.00 0.00 O ATOM 1063 CB ILE A 77 4.933 5.485 -0.643 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.821 4.547 -1.158 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.827 6.882 -1.246 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.767 5.221 -2.016 1.00 0.00 C ATOM 0 H ILE A 77 5.776 3.443 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 77 7.075 5.662 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 77 4.808 5.583 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.280 3.745 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.331 4.084 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.846 7.301 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.600 7.522 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.959 6.823 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.028 4.484 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.275 6.004 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.239 5.660 -2.895 1.00 0.00 H new ATOM 1078 N ASN A 78 7.033 4.418 1.299 1.00 0.00 N ATOM 1079 CA ASN A 78 7.416 3.611 2.450 1.00 0.00 C ATOM 1080 C ASN A 78 6.224 2.822 2.983 1.00 0.00 C ATOM 1081 O ASN A 78 5.074 3.240 2.840 1.00 0.00 O ATOM 1082 CB ASN A 78 7.980 4.517 3.545 1.00 0.00 C ATOM 1083 CG ASN A 78 8.847 3.763 4.534 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.411 2.717 4.210 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.970 4.295 5.745 1.00 0.00 N ATOM 0 H ASN A 78 7.064 5.423 1.468 1.00 0.00 H new ATOM 0 HA ASN A 78 8.180 2.899 2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.566 5.314 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.157 4.993 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.549 3.835 6.448 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.485 5.163 5.972 1.00 0.00 H new ATOM 1092 N ALA A 79 6.509 1.676 3.597 1.00 0.00 N ATOM 1093 CA ALA A 79 5.467 0.822 4.156 1.00 0.00 C ATOM 1094 C ALA A 79 4.703 1.540 5.260 1.00 0.00 C ATOM 1095 O ALA A 79 3.608 1.125 5.640 1.00 0.00 O ATOM 1096 CB ALA A 79 6.069 -0.470 4.688 1.00 0.00 C ATOM 0 H ALA A 79 7.456 1.318 3.720 1.00 0.00 H new ATOM 0 HA ALA A 79 4.765 0.582 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.279 -1.096 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.566 -1.001 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.795 -0.239 5.468 1.00 0.00 H new ATOM 1102 N ALA A 80 5.288 2.616 5.775 1.00 0.00 N ATOM 1103 CA ALA A 80 4.658 3.392 6.834 1.00 0.00 C ATOM 1104 C ALA A 80 3.535 4.259 6.280 1.00 0.00 C ATOM 1105 O ALA A 80 2.587 4.590 6.992 1.00 0.00 O ATOM 1106 CB ALA A 80 5.688 4.251 7.549 1.00 0.00 C ATOM 0 H ALA A 80 6.197 2.970 5.476 1.00 0.00 H new ATOM 0 HA ALA A 80 4.226 2.695 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.200 4.824 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.454 3.611 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.150 4.934 6.836 1.00 0.00 H new ATOM 1112 N ASN A 81 3.646 4.626 5.005 1.00 0.00 N ATOM 1113 CA ASN A 81 2.628 5.450 4.366 1.00 0.00 C ATOM 1114 C ASN A 81 1.354 4.655 4.134 1.00 0.00 C ATOM 1115 O ASN A 81 0.257 5.208 4.131 1.00 0.00 O ATOM 1116 CB ASN A 81 3.122 6.016 3.029 1.00 0.00 C ATOM 1117 CG ASN A 81 2.008 6.666 2.248 1.00 0.00 C ATOM 1118 OD1 ASN A 81 1.027 7.132 2.827 1.00 0.00 O ATOM 1119 ND2 ASN A 81 2.161 6.721 0.931 1.00 0.00 N ATOM 0 H ASN A 81 4.425 4.367 4.400 1.00 0.00 H new ATOM 0 HA ASN A 81 2.418 6.279 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.910 6.746 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.562 5.214 2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.447 7.164 0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.992 6.320 0.497 1.00 0.00 H new ATOM 1126 N CYS A 82 1.494 3.353 3.948 1.00 0.00 N ATOM 1127 CA CYS A 82 0.336 2.517 3.701 1.00 0.00 C ATOM 1128 C CYS A 82 -0.052 1.752 4.963 1.00 0.00 C ATOM 1129 O CYS A 82 0.545 0.724 5.283 1.00 0.00 O ATOM 1130 CB CYS A 82 0.630 1.528 2.570 1.00 0.00 C ATOM 1131 SG CYS A 82 1.451 2.270 1.124 1.00 0.00 S ATOM 0 H CYS A 82 2.386 2.859 3.963 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.494 3.160 3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.258 0.726 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.307 1.073 2.248 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.047 2.259 5.679 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.516 1.612 6.899 1.00 0.00 C ATOM 1138 C GLN A 83 -2.774 0.794 6.632 1.00 0.00 C ATOM 1139 O GLN A 83 -3.762 1.305 6.104 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.789 2.658 7.987 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.586 2.926 8.874 1.00 0.00 C ATOM 1142 CD GLN A 83 -0.889 3.899 9.998 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -1.803 4.830 9.749 1.00 0.00 O flip ATOM 1144 NE2 GLN A 83 -0.306 3.815 11.079 1.00 0.00 N flip ATOM 0 H GLN A 83 -1.545 3.116 5.437 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.734 0.937 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.100 3.590 7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.621 2.321 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.237 1.985 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.227 3.322 8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.390 3.084 11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.519 4.476 11.826 1.00 0.00 H new ATOM 1153 N THR A 84 -2.721 -0.483 7.000 1.00 0.00 N ATOM 1154 CA THR A 84 -3.847 -1.392 6.805 1.00 0.00 C ATOM 1155 C THR A 84 -5.135 -0.811 7.388 1.00 0.00 C ATOM 1156 O THR A 84 -5.153 -0.364 8.536 1.00 0.00 O ATOM 1157 CB THR A 84 -3.589 -2.769 7.454 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.191 -3.078 7.411 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.371 -3.856 6.733 1.00 0.00 C ATOM 0 H THR A 84 -1.906 -0.914 7.437 1.00 0.00 H new ATOM 0 HA THR A 84 -3.957 -1.520 5.728 1.00 0.00 H new ATOM 0 HB THR A 84 -3.920 -2.726 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.036 -3.952 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.176 -4.819 7.205 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.437 -3.634 6.788 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.062 -3.895 5.689 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.235 -0.810 6.609 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.521 -0.280 7.071 1.00 0.00 C ATOM 1169 C PRO A 85 -8.135 -1.133 8.177 1.00 0.00 C ATOM 1170 O PRO A 85 -8.000 -2.358 8.177 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.401 -0.311 5.818 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.783 -1.335 4.930 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.309 -1.318 5.224 1.00 0.00 C ATOM 0 HA PRO A 85 -7.416 0.715 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.429 -0.574 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.430 0.665 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.206 -2.321 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.973 -1.105 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.872 -2.313 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.770 -0.672 4.531 1.00 0.00 H new ATOM 1181 N ALA A 86 -8.813 -0.480 9.120 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.446 -1.178 10.235 1.00 0.00 C ATOM 1183 C ALA A 86 -10.702 -1.914 9.779 1.00 0.00 C ATOM 1184 O ALA A 86 -11.603 -1.317 9.190 1.00 0.00 O ATOM 1185 CB ALA A 86 -9.783 -0.196 11.347 1.00 0.00 C ATOM 0 H ALA A 86 -8.937 0.532 9.133 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.742 -1.917 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.255 -0.729 12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.869 0.283 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.467 0.563 10.967 1.00 0.00 H new ATOM 1191 N GLY A 87 -10.757 -3.214 10.060 1.00 0.00 N ATOM 1192 CA GLY A 87 -11.908 -4.009 9.672 1.00 0.00 C ATOM 1193 C GLY A 87 -11.639 -4.863 8.447 1.00 0.00 C ATOM 1194 O GLY A 87 -12.405 -5.777 8.141 1.00 0.00 O ATOM 0 H GLY A 87 -10.025 -3.730 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.198 -4.652 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.751 -3.348 9.472 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.549 -4.562 7.743 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.178 -5.306 6.545 1.00 0.00 C ATOM 1200 C LEU A 88 -9.975 -6.785 6.862 1.00 0.00 C ATOM 1201 O LEU A 88 -10.936 -7.563 6.693 1.00 0.00 O ATOM 1202 CB LEU A 88 -8.899 -4.720 5.941 1.00 0.00 C ATOM 1203 CG LEU A 88 -8.476 -5.317 4.598 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.026 -4.489 3.452 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -6.961 -5.420 4.511 1.00 0.00 C ATOM 1206 OXT LEU A 88 -8.855 -7.153 7.278 1.00 0.00 O ATOM 0 H LEU A 88 -9.908 -3.806 7.984 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.990 -5.219 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.035 -3.646 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.085 -4.857 6.653 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.889 -6.323 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.715 -4.928 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.115 -4.472 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.644 -3.471 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.680 -5.847 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.523 -4.427 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.593 -6.060 5.313 1.00 0.00 H new TER 1218 LEU A 88