USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl 147:sc= -3.18! (180deg=-5.39!) USER MOD Set 1.2: A 80 MET CE :methyl 167:sc= -1.59 (180deg=-1.95) USER MOD Set 2.1: A 35 CYS SG : rot -113:sc= 0.787 USER MOD Set 2.2: A 71 THR OG1 : rot 145:sc= 1.01 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -0.194 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.873 K(o=-1.1,f=-1.9!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.01) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.436) USER MOD Single : A 18 ASN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -89:sc= 0.198 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.33) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.473 USER MOD Single : A 58 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.54) USER MOD Single : A 60 MET CE :methyl -119:sc= 0 (180deg=-0.0263) USER MOD Single : A 69 SER OG : rot -79:sc= 0.826 USER MOD Single : A 81 MET CE :methyl -167:sc=-0.00964 (180deg=-0.338) USER MOD Single : A 84 CYS SG : rot 59:sc= 0.00811 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.163 -3.451 -18.014 1.00 0.00 N ATOM 47 CA ILE A 4 8.182 -4.354 -17.404 1.00 0.00 C ATOM 48 C ILE A 4 6.831 -3.650 -17.251 1.00 0.00 C ATOM 49 O ILE A 4 5.787 -4.297 -17.227 1.00 0.00 O ATOM 50 CB ILE A 4 8.655 -4.852 -16.026 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.663 -3.699 -15.011 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.068 -5.430 -16.146 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.277 -3.558 -14.378 1.00 0.00 C ATOM 0 HA ILE A 4 8.075 -5.214 -18.066 1.00 0.00 H new ATOM 0 HB ILE A 4 7.967 -5.624 -15.680 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.409 -3.887 -14.238 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.944 -2.769 -15.505 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.401 -5.782 -15.170 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.062 -6.263 -16.849 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.748 -4.657 -16.505 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.287 -2.739 -13.659 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.542 -3.349 -15.155 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.014 -4.485 -13.869 1.00 0.00 H new ATOM 65 N TYR A 5 6.868 -2.315 -17.148 1.00 0.00 N ATOM 66 CA TYR A 5 5.644 -1.524 -16.999 1.00 0.00 C ATOM 67 C TYR A 5 4.807 -1.592 -18.272 1.00 0.00 C ATOM 68 O TYR A 5 3.579 -1.558 -18.223 1.00 0.00 O ATOM 69 CB TYR A 5 5.984 -0.057 -16.711 1.00 0.00 C ATOM 70 CG TYR A 5 6.841 0.031 -15.470 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.323 -0.372 -14.237 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.154 0.509 -15.555 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.113 -0.297 -13.085 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.946 0.585 -14.404 1.00 0.00 C ATOM 75 CZ TYR A 5 8.426 0.183 -13.168 1.00 0.00 C ATOM 76 OH TYR A 5 9.206 0.257 -12.033 1.00 0.00 O ATOM 0 H TYR A 5 7.727 -1.765 -17.165 1.00 0.00 H new ATOM 0 HA TYR A 5 5.078 -1.939 -16.165 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.511 0.378 -17.560 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.069 0.519 -16.575 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.310 -0.742 -14.173 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.555 0.819 -16.508 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.711 -0.609 -12.132 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.959 0.954 -14.469 1.00 0.00 H new ATOM 0 HH TYR A 5 10.090 0.610 -12.266 1.00 0.00 H new ATOM 86 N LYS A 6 5.492 -1.695 -19.412 1.00 0.00 N ATOM 87 CA LYS A 6 4.810 -1.775 -20.708 1.00 0.00 C ATOM 88 C LYS A 6 4.293 -3.189 -20.940 1.00 0.00 C ATOM 89 O LYS A 6 3.202 -3.389 -21.476 1.00 0.00 O ATOM 90 CB LYS A 6 5.759 -1.391 -21.853 1.00 0.00 C ATOM 91 CG LYS A 6 6.573 -0.145 -21.473 1.00 0.00 C ATOM 92 CD LYS A 6 5.648 0.915 -20.861 1.00 0.00 C ATOM 93 CE LYS A 6 6.484 1.979 -20.142 1.00 0.00 C ATOM 94 NZ LYS A 6 7.257 2.777 -21.137 1.00 0.00 N ATOM 0 H LYS A 6 6.510 -1.725 -19.466 1.00 0.00 H new ATOM 0 HA LYS A 6 3.975 -1.075 -20.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.431 -2.221 -22.071 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.186 -1.197 -22.760 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.354 -0.413 -20.762 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.070 0.259 -22.355 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.045 1.379 -21.641 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.957 0.447 -20.160 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.834 2.635 -19.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.165 1.503 -19.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.755 3.550 -20.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.950 2.163 -21.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.606 3.175 -21.844 1.00 0.00 H new ATOM 108 N ALA A 7 5.090 -4.168 -20.517 1.00 0.00 N ATOM 109 CA ALA A 7 4.713 -5.574 -20.664 1.00 0.00 C ATOM 110 C ALA A 7 3.647 -5.966 -19.633 1.00 0.00 C ATOM 111 O ALA A 7 2.863 -6.887 -19.862 1.00 0.00 O ATOM 112 CB ALA A 7 5.937 -6.473 -20.479 1.00 0.00 C ATOM 0 H ALA A 7 5.995 -4.016 -20.072 1.00 0.00 H new ATOM 0 HA ALA A 7 4.306 -5.706 -21.666 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.642 -7.516 -20.591 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.687 -6.225 -21.230 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.355 -6.319 -19.484 1.00 0.00 H new ATOM 118 N ALA A 8 3.630 -5.260 -18.494 1.00 0.00 N ATOM 119 CA ALA A 8 2.663 -5.546 -17.432 1.00 0.00 C ATOM 120 C ALA A 8 1.352 -4.794 -17.660 1.00 0.00 C ATOM 121 O ALA A 8 0.274 -5.335 -17.409 1.00 0.00 O ATOM 122 CB ALA A 8 3.231 -5.150 -16.069 1.00 0.00 C ATOM 0 H ALA A 8 4.270 -4.493 -18.288 1.00 0.00 H new ATOM 0 HA ALA A 8 2.466 -6.618 -17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.499 -5.370 -15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.144 -5.714 -15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.456 -4.083 -16.065 1.00 0.00 H new ATOM 128 N VAL A 9 1.447 -3.545 -18.137 1.00 0.00 N ATOM 129 CA VAL A 9 0.246 -2.741 -18.391 1.00 0.00 C ATOM 130 C VAL A 9 -0.668 -3.437 -19.409 1.00 0.00 C ATOM 131 O VAL A 9 -1.893 -3.321 -19.337 1.00 0.00 O ATOM 132 CB VAL A 9 0.626 -1.337 -18.893 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.969 -1.375 -20.384 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.547 -0.379 -18.664 1.00 0.00 C ATOM 0 H VAL A 9 2.327 -3.077 -18.351 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.295 -2.639 -17.451 1.00 0.00 H new ATOM 0 HB VAL A 9 1.500 -0.991 -18.341 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.235 -0.373 -20.722 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.810 -2.048 -20.547 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.106 -1.730 -20.947 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.279 0.616 -19.019 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.420 -0.736 -19.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.778 -0.334 -17.600 1.00 0.00 H new ATOM 144 N GLU A 10 -0.056 -4.171 -20.346 1.00 0.00 N ATOM 145 CA GLU A 10 -0.816 -4.896 -21.367 1.00 0.00 C ATOM 146 C GLU A 10 -1.496 -6.135 -20.769 1.00 0.00 C ATOM 147 O GLU A 10 -2.481 -6.635 -21.316 1.00 0.00 O ATOM 148 CB GLU A 10 0.103 -5.337 -22.511 1.00 0.00 C ATOM 149 CG GLU A 10 0.523 -4.115 -23.335 1.00 0.00 C ATOM 150 CD GLU A 10 1.531 -4.539 -24.400 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.706 -4.619 -24.080 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.112 -4.776 -25.522 1.00 0.00 O ATOM 0 H GLU A 10 0.956 -4.277 -20.417 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.579 -4.218 -21.751 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.984 -5.838 -22.110 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.412 -6.057 -23.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.350 -3.663 -23.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.962 -3.358 -22.685 1.00 0.00 H new ATOM 159 N GLN A 11 -0.964 -6.625 -19.639 1.00 0.00 N ATOM 160 CA GLN A 11 -1.535 -7.803 -18.979 1.00 0.00 C ATOM 161 C GLN A 11 -2.769 -7.415 -18.164 1.00 0.00 C ATOM 162 O GLN A 11 -3.766 -8.140 -18.143 1.00 0.00 O ATOM 163 CB GLN A 11 -0.510 -8.456 -18.041 1.00 0.00 C ATOM 164 CG GLN A 11 0.743 -8.849 -18.830 1.00 0.00 C ATOM 165 CD GLN A 11 0.532 -10.210 -19.488 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.514 -11.238 -18.811 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.372 -10.280 -20.782 1.00 0.00 N ATOM 0 H GLN A 11 -0.150 -6.228 -19.170 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.816 -8.512 -19.758 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.245 -7.765 -17.241 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.945 -9.337 -17.570 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.957 -8.097 -19.589 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.606 -8.886 -18.165 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.387 -9.429 -21.344 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.232 -11.185 -21.230 1.00 0.00 H new ATOM 176 N LEU A 12 -2.687 -6.263 -17.493 1.00 0.00 N ATOM 177 CA LEU A 12 -3.796 -5.775 -16.674 1.00 0.00 C ATOM 178 C LEU A 12 -4.995 -5.404 -17.546 1.00 0.00 C ATOM 179 O LEU A 12 -4.844 -4.992 -18.699 1.00 0.00 O ATOM 180 CB LEU A 12 -3.368 -4.548 -15.867 1.00 0.00 C ATOM 181 CG LEU A 12 -2.270 -4.806 -14.828 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.073 -3.894 -15.105 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.811 -4.524 -13.424 1.00 0.00 C ATOM 0 H LEU A 12 -1.868 -5.655 -17.501 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.082 -6.577 -15.994 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.020 -3.781 -16.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.243 -4.144 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.955 -5.847 -14.892 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.295 -4.080 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.682 -4.099 -16.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.388 -2.852 -15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.028 -4.708 -12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.132 -3.484 -13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.659 -5.178 -13.223 1.00 0.00 H new ATOM 195 N THR A 13 -6.188 -5.563 -16.973 1.00 0.00 N ATOM 196 CA THR A 13 -7.430 -5.252 -17.687 1.00 0.00 C ATOM 197 C THR A 13 -8.003 -3.916 -17.217 1.00 0.00 C ATOM 198 O THR A 13 -7.557 -3.346 -16.218 1.00 0.00 O ATOM 199 CB THR A 13 -8.479 -6.352 -17.456 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.227 -7.011 -16.219 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.418 -7.367 -18.600 1.00 0.00 C ATOM 0 H THR A 13 -6.322 -5.904 -16.021 1.00 0.00 H new ATOM 0 HA THR A 13 -7.194 -5.192 -18.749 1.00 0.00 H new ATOM 0 HB THR A 13 -9.470 -5.900 -17.424 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.900 -7.709 -16.077 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.162 -8.146 -18.435 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.623 -6.863 -19.545 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.425 -7.815 -18.636 1.00 0.00 H new ATOM 209 N ASP A 14 -9.014 -3.436 -17.946 1.00 0.00 N ATOM 210 CA ASP A 14 -9.670 -2.174 -17.599 1.00 0.00 C ATOM 211 C ASP A 14 -10.409 -2.317 -16.269 1.00 0.00 C ATOM 212 O ASP A 14 -10.517 -1.363 -15.499 1.00 0.00 O ATOM 213 CB ASP A 14 -10.674 -1.770 -18.683 1.00 0.00 C ATOM 214 CG ASP A 14 -9.926 -1.372 -19.954 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.574 -0.210 -20.072 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.716 -2.236 -20.790 1.00 0.00 O ATOM 0 H ASP A 14 -9.393 -3.898 -18.773 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.902 -1.405 -17.516 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.351 -2.598 -18.892 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.286 -0.938 -18.334 1.00 0.00 H new ATOM 221 N GLU A 15 -10.906 -3.532 -16.012 1.00 0.00 N ATOM 222 CA GLU A 15 -11.629 -3.820 -14.773 1.00 0.00 C ATOM 223 C GLU A 15 -10.715 -3.644 -13.557 1.00 0.00 C ATOM 224 O GLU A 15 -11.131 -3.108 -12.529 1.00 0.00 O ATOM 225 CB GLU A 15 -12.179 -5.251 -14.806 1.00 0.00 C ATOM 226 CG GLU A 15 -11.034 -6.272 -14.735 1.00 0.00 C ATOM 227 CD GLU A 15 -11.524 -7.629 -15.230 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.105 -8.353 -14.438 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.309 -7.926 -16.394 1.00 0.00 O ATOM 0 H GLU A 15 -10.820 -4.328 -16.644 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.458 -3.117 -14.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.862 -5.403 -13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.754 -5.404 -15.719 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.194 -5.934 -15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.672 -6.357 -13.710 1.00 0.00 H new ATOM 236 N GLN A 16 -9.465 -4.096 -13.696 1.00 0.00 N ATOM 237 CA GLN A 16 -8.484 -3.983 -12.612 1.00 0.00 C ATOM 238 C GLN A 16 -8.227 -2.515 -12.280 1.00 0.00 C ATOM 239 O GLN A 16 -8.228 -2.124 -11.112 1.00 0.00 O ATOM 240 CB GLN A 16 -7.160 -4.646 -13.007 1.00 0.00 C ATOM 241 CG GLN A 16 -7.288 -6.167 -12.878 1.00 0.00 C ATOM 242 CD GLN A 16 -5.917 -6.813 -13.057 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.040 -6.668 -12.205 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.678 -7.529 -14.123 1.00 0.00 N ATOM 0 H GLN A 16 -9.110 -4.541 -14.542 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.892 -4.490 -11.737 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.899 -4.379 -14.031 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.355 -4.283 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.699 -6.426 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.982 -6.549 -13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.404 -7.650 -14.829 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.766 -7.967 -14.249 1.00 0.00 H new ATOM 253 N LYS A 17 -8.024 -1.704 -13.324 1.00 0.00 N ATOM 254 CA LYS A 17 -7.783 -0.272 -13.134 1.00 0.00 C ATOM 255 C LYS A 17 -9.044 0.416 -12.603 1.00 0.00 C ATOM 256 O LYS A 17 -8.959 1.383 -11.846 1.00 0.00 O ATOM 257 CB LYS A 17 -7.364 0.390 -14.450 1.00 0.00 C ATOM 258 CG LYS A 17 -5.836 0.481 -14.509 1.00 0.00 C ATOM 259 CD LYS A 17 -5.276 -0.721 -15.277 1.00 0.00 C ATOM 260 CE LYS A 17 -3.926 -1.130 -14.681 1.00 0.00 C ATOM 261 NZ LYS A 17 -2.870 -0.175 -15.127 1.00 0.00 N ATOM 0 H LYS A 17 -8.022 -2.011 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.976 -0.163 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.738 -0.187 -15.296 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.802 1.385 -14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.536 1.408 -14.997 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.424 0.504 -13.500 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.975 -1.556 -15.225 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.158 -0.469 -16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.986 -1.139 -13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.671 -2.142 -14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.205 -0.003 -14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.357 -0.578 -15.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.311 0.723 -15.410 1.00 0.00 H new ATOM 275 N ASN A 18 -10.214 -0.104 -12.997 1.00 0.00 N ATOM 276 CA ASN A 18 -11.491 0.454 -12.542 1.00 0.00 C ATOM 277 C ASN A 18 -11.618 0.296 -11.026 1.00 0.00 C ATOM 278 O ASN A 18 -11.985 1.239 -10.322 1.00 0.00 O ATOM 279 CB ASN A 18 -12.665 -0.257 -13.226 1.00 0.00 C ATOM 280 CG ASN A 18 -13.205 0.616 -14.355 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.304 1.159 -14.255 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.491 0.786 -15.435 1.00 0.00 N ATOM 0 H ASN A 18 -10.301 -0.903 -13.624 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.516 1.512 -12.804 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.340 -1.220 -13.621 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.453 -0.460 -12.501 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.845 1.368 -16.194 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.579 0.336 -15.520 1.00 0.00 H new ATOM 289 N GLU A 19 -11.289 -0.905 -10.534 1.00 0.00 N ATOM 290 CA GLU A 19 -11.344 -1.180 -9.095 1.00 0.00 C ATOM 291 C GLU A 19 -10.269 -0.371 -8.373 1.00 0.00 C ATOM 292 O GLU A 19 -10.507 0.180 -7.300 1.00 0.00 O ATOM 293 CB GLU A 19 -11.109 -2.668 -8.809 1.00 0.00 C ATOM 294 CG GLU A 19 -12.154 -3.508 -9.543 1.00 0.00 C ATOM 295 CD GLU A 19 -12.450 -4.771 -8.740 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.761 -5.757 -8.948 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.361 -4.735 -7.930 1.00 0.00 O ATOM 0 H GLU A 19 -10.985 -1.694 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.335 -0.900 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.108 -2.956 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.167 -2.855 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.068 -2.930 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.791 -3.773 -10.536 1.00 0.00 H new ATOM 304 N PHE A 20 -9.084 -0.310 -8.989 1.00 0.00 N ATOM 305 CA PHE A 20 -7.957 0.435 -8.421 1.00 0.00 C ATOM 306 C PHE A 20 -8.306 1.919 -8.283 1.00 0.00 C ATOM 307 O PHE A 20 -7.982 2.550 -7.275 1.00 0.00 O ATOM 308 CB PHE A 20 -6.717 0.295 -9.316 1.00 0.00 C ATOM 309 CG PHE A 20 -5.942 -0.959 -8.958 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.589 -2.060 -8.376 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.568 -1.016 -9.217 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.860 -3.210 -8.056 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.840 -2.165 -8.895 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.485 -3.262 -8.315 1.00 0.00 C ATOM 0 H PHE A 20 -8.881 -0.766 -9.878 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.745 0.021 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.019 0.256 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.077 1.170 -9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.649 -2.019 -8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.069 -0.170 -9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.358 -4.058 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.779 -2.206 -9.094 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.922 -4.150 -8.067 1.00 0.00 H new ATOM 324 N LYS A 21 -8.974 2.465 -9.307 1.00 0.00 N ATOM 325 CA LYS A 21 -9.371 3.876 -9.296 1.00 0.00 C ATOM 326 C LYS A 21 -10.372 4.140 -8.171 1.00 0.00 C ATOM 327 O LYS A 21 -10.239 5.112 -7.429 1.00 0.00 O ATOM 328 CB LYS A 21 -10.000 4.273 -10.640 1.00 0.00 C ATOM 329 CG LYS A 21 -10.263 5.784 -10.670 1.00 0.00 C ATOM 330 CD LYS A 21 -8.950 6.545 -10.456 1.00 0.00 C ATOM 331 CE LYS A 21 -9.089 7.973 -10.992 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.782 8.825 -9.982 1.00 0.00 N ATOM 0 H LYS A 21 -9.248 1.955 -10.147 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.476 4.476 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.336 3.995 -11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.933 3.730 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.706 6.066 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.980 6.053 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.700 6.567 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.134 6.033 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.105 8.385 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.652 7.968 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.874 9.793 -10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.727 8.436 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.228 8.840 -9.102 1.00 0.00 H new ATOM 346 N ALA A 22 -11.368 3.256 -8.049 1.00 0.00 N ATOM 347 CA ALA A 22 -12.381 3.397 -6.999 1.00 0.00 C ATOM 348 C ALA A 22 -11.743 3.207 -5.623 1.00 0.00 C ATOM 349 O ALA A 22 -12.014 3.967 -4.692 1.00 0.00 O ATOM 350 CB ALA A 22 -13.495 2.363 -7.182 1.00 0.00 C ATOM 0 H ALA A 22 -11.494 2.446 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.806 4.398 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.237 2.484 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.970 2.508 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.072 1.360 -7.131 1.00 0.00 H new ATOM 356 N ALA A 23 -10.879 2.191 -5.516 1.00 0.00 N ATOM 357 CA ALA A 23 -10.180 1.900 -4.259 1.00 0.00 C ATOM 358 C ALA A 23 -9.274 3.068 -3.856 1.00 0.00 C ATOM 359 O ALA A 23 -8.964 3.245 -2.678 1.00 0.00 O ATOM 360 CB ALA A 23 -9.330 0.634 -4.400 1.00 0.00 C ATOM 0 H ALA A 23 -10.648 1.558 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.934 1.749 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.818 0.433 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.973 -0.210 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.593 0.777 -5.190 1.00 0.00 H new ATOM 366 N PHE A 24 -8.856 3.863 -4.847 1.00 0.00 N ATOM 367 CA PHE A 24 -7.996 5.013 -4.586 1.00 0.00 C ATOM 368 C PHE A 24 -8.845 6.232 -4.220 1.00 0.00 C ATOM 369 O PHE A 24 -8.635 6.856 -3.182 1.00 0.00 O ATOM 370 CB PHE A 24 -7.156 5.339 -5.829 1.00 0.00 C ATOM 371 CG PHE A 24 -5.914 6.105 -5.433 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.754 5.414 -5.062 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.920 7.507 -5.444 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.602 6.123 -4.703 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.767 8.214 -5.083 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.609 7.523 -4.712 1.00 0.00 C ATOM 0 H PHE A 24 -9.099 3.730 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.334 4.768 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.877 4.418 -6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.746 5.927 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.748 4.334 -5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.814 8.041 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.707 5.590 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.772 9.294 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.720 8.069 -4.432 1.00 0.00 H new ATOM 386 N ASP A 25 -9.800 6.558 -5.098 1.00 0.00 N ATOM 387 CA ASP A 25 -10.686 7.713 -4.896 1.00 0.00 C ATOM 388 C ASP A 25 -11.374 7.695 -3.527 1.00 0.00 C ATOM 389 O ASP A 25 -11.528 8.743 -2.898 1.00 0.00 O ATOM 390 CB ASP A 25 -11.760 7.758 -5.988 1.00 0.00 C ATOM 391 CG ASP A 25 -12.216 9.200 -6.198 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.119 9.625 -5.495 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.655 9.858 -7.058 1.00 0.00 O ATOM 0 H ASP A 25 -9.980 6.038 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.054 8.600 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.364 7.352 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.608 7.135 -5.704 1.00 0.00 H new ATOM 398 N ILE A 26 -11.797 6.508 -3.071 1.00 0.00 N ATOM 399 CA ILE A 26 -12.476 6.399 -1.769 1.00 0.00 C ATOM 400 C ILE A 26 -11.609 6.985 -0.652 1.00 0.00 C ATOM 401 O ILE A 26 -12.116 7.632 0.266 1.00 0.00 O ATOM 402 CB ILE A 26 -12.816 4.939 -1.437 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.554 4.071 -1.538 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.876 4.428 -2.419 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.888 2.622 -1.182 1.00 0.00 C ATOM 0 H ILE A 26 -11.685 5.626 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.403 6.967 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.204 4.882 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.147 4.122 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.786 4.452 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.119 3.391 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.775 5.039 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.489 4.489 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.987 2.012 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.274 2.577 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.641 2.242 -1.872 1.00 0.00 H new ATOM 417 N PHE A 27 -10.294 6.762 -0.748 1.00 0.00 N ATOM 418 CA PHE A 27 -9.360 7.283 0.250 1.00 0.00 C ATOM 419 C PHE A 27 -9.005 8.741 -0.058 1.00 0.00 C ATOM 420 O PHE A 27 -8.723 9.525 0.849 1.00 0.00 O ATOM 421 CB PHE A 27 -8.078 6.447 0.276 1.00 0.00 C ATOM 422 CG PHE A 27 -8.297 5.212 1.119 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.225 5.294 2.515 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.577 3.985 0.504 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.431 4.151 3.295 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.785 2.841 1.284 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.712 2.924 2.680 1.00 0.00 C ATOM 0 H PHE A 27 -9.857 6.229 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.845 7.227 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.796 6.163 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.256 7.036 0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.010 6.240 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.632 3.921 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.373 4.215 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.002 1.895 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.872 2.042 3.283 1.00 0.00 H new ATOM 437 N ILE A 28 -9.023 9.095 -1.352 1.00 0.00 N ATOM 438 CA ILE A 28 -8.705 10.463 -1.779 1.00 0.00 C ATOM 439 C ILE A 28 -9.980 11.312 -1.872 1.00 0.00 C ATOM 440 O ILE A 28 -10.124 12.152 -2.765 1.00 0.00 O ATOM 441 CB ILE A 28 -7.996 10.452 -3.148 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.906 9.373 -3.182 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.342 11.807 -3.417 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.175 9.303 -1.836 1.00 0.00 C ATOM 0 H ILE A 28 -9.253 8.457 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.040 10.900 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.746 10.242 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.352 8.405 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.194 9.592 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.845 11.785 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.105 12.585 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.609 12.018 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.406 8.532 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.712 10.266 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.887 9.061 -1.047 1.00 0.00 H new ATOM 456 N GLN A 29 -10.901 11.095 -0.928 1.00 0.00 N ATOM 457 CA GLN A 29 -12.153 11.856 -0.903 1.00 0.00 C ATOM 458 C GLN A 29 -11.892 13.289 -0.427 1.00 0.00 C ATOM 459 O GLN A 29 -12.592 14.223 -0.825 1.00 0.00 O ATOM 460 CB GLN A 29 -13.190 11.192 0.018 1.00 0.00 C ATOM 461 CG GLN A 29 -12.584 10.925 1.403 1.00 0.00 C ATOM 462 CD GLN A 29 -13.697 10.873 2.446 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.403 11.859 2.659 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.895 9.772 3.119 1.00 0.00 N ATOM 0 H GLN A 29 -10.805 10.408 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.551 11.874 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.064 11.835 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.531 10.255 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.034 9.984 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.870 11.709 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.311 8.955 2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.634 9.729 3.821 1.00 0.00 H new ATOM 473 N ASP A 30 -10.871 13.449 0.423 1.00 0.00 N ATOM 474 CA ASP A 30 -10.512 14.768 0.945 1.00 0.00 C ATOM 475 C ASP A 30 -9.015 14.829 1.275 1.00 0.00 C ATOM 476 O ASP A 30 -8.613 15.375 2.307 1.00 0.00 O ATOM 477 CB ASP A 30 -11.332 15.080 2.203 1.00 0.00 C ATOM 478 CG ASP A 30 -11.613 16.580 2.273 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.504 17.031 1.572 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.934 17.255 3.030 1.00 0.00 O ATOM 0 H ASP A 30 -10.284 12.686 0.761 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.733 15.511 0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.270 14.525 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.789 14.760 3.092 1.00 0.00 H new ATOM 485 N ALA A 31 -8.190 14.264 0.382 1.00 0.00 N ATOM 486 CA ALA A 31 -6.740 14.262 0.582 1.00 0.00 C ATOM 487 C ALA A 31 -6.165 15.663 0.373 1.00 0.00 C ATOM 488 O ALA A 31 -6.770 16.509 -0.293 1.00 0.00 O ATOM 489 CB ALA A 31 -6.066 13.299 -0.397 1.00 0.00 C ATOM 0 H ALA A 31 -8.501 13.808 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.545 13.939 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.988 13.310 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.447 12.291 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.282 13.609 -1.419 1.00 0.00 H new ATOM 495 N GLU A 32 -4.987 15.895 0.951 1.00 0.00 N ATOM 496 CA GLU A 32 -4.322 17.197 0.833 1.00 0.00 C ATOM 497 C GLU A 32 -3.709 17.369 -0.557 1.00 0.00 C ATOM 498 O GLU A 32 -3.904 18.396 -1.210 1.00 0.00 O ATOM 499 CB GLU A 32 -3.215 17.337 1.883 1.00 0.00 C ATOM 500 CG GLU A 32 -3.834 17.637 3.251 1.00 0.00 C ATOM 501 CD GLU A 32 -3.015 16.952 4.342 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.316 15.810 4.653 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.100 17.578 4.851 1.00 0.00 O ATOM 0 H GLU A 32 -4.475 15.206 1.502 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.076 17.967 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.629 16.419 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.531 18.137 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.860 18.713 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.865 17.285 3.280 1.00 0.00 H new ATOM 510 N ASP A 33 -2.966 16.352 -0.994 1.00 0.00 N ATOM 511 CA ASP A 33 -2.318 16.391 -2.307 1.00 0.00 C ATOM 512 C ASP A 33 -3.034 15.473 -3.301 1.00 0.00 C ATOM 513 O ASP A 33 -3.126 15.784 -4.490 1.00 0.00 O ATOM 514 CB ASP A 33 -0.853 15.957 -2.192 1.00 0.00 C ATOM 515 CG ASP A 33 -0.006 17.135 -1.720 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.060 17.351 -0.520 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.564 17.807 -2.564 1.00 0.00 O ATOM 0 H ASP A 33 -2.798 15.497 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.370 17.417 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.763 15.127 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.492 15.600 -3.157 1.00 0.00 H new ATOM 522 N GLY A 34 -3.539 14.339 -2.801 1.00 0.00 N ATOM 523 CA GLY A 34 -4.244 13.378 -3.650 1.00 0.00 C ATOM 524 C GLY A 34 -3.545 12.021 -3.627 1.00 0.00 C ATOM 525 O GLY A 34 -3.198 11.469 -4.673 1.00 0.00 O ATOM 0 H GLY A 34 -3.472 14.068 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.273 13.268 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.288 13.753 -4.673 1.00 0.00 H new ATOM 529 N CYS A 35 -3.340 11.493 -2.416 1.00 0.00 N ATOM 530 CA CYS A 35 -2.678 10.198 -2.251 1.00 0.00 C ATOM 531 C CYS A 35 -3.069 9.560 -0.918 1.00 0.00 C ATOM 532 O CYS A 35 -3.671 10.205 -0.055 1.00 0.00 O ATOM 533 CB CYS A 35 -1.149 10.343 -2.300 1.00 0.00 C ATOM 534 SG CYS A 35 -0.665 12.043 -1.900 1.00 0.00 S ATOM 0 H CYS A 35 -3.621 11.939 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.003 9.562 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.689 9.651 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.783 10.077 -3.292 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.144 12.604 -2.950 1.00 0.00 H new ATOM 540 N ILE A 36 -2.713 8.285 -0.763 1.00 0.00 N ATOM 541 CA ILE A 36 -3.021 7.553 0.466 1.00 0.00 C ATOM 542 C ILE A 36 -1.760 7.413 1.322 1.00 0.00 C ATOM 543 O ILE A 36 -0.693 7.906 0.959 1.00 0.00 O ATOM 544 CB ILE A 36 -3.584 6.160 0.146 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.597 5.383 -0.732 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.918 6.302 -0.594 1.00 0.00 C ATOM 547 CD1 ILE A 36 -2.103 4.149 0.022 1.00 0.00 C ATOM 0 H ILE A 36 -2.215 7.741 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.775 8.115 1.018 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.738 5.618 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.080 5.084 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.754 6.020 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.316 5.313 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.626 6.843 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.762 6.851 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.401 3.597 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.604 4.459 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.951 3.509 0.268 1.00 0.00 H new ATOM 559 N SER A 37 -1.895 6.739 2.464 1.00 0.00 N ATOM 560 CA SER A 37 -0.759 6.544 3.361 1.00 0.00 C ATOM 561 C SER A 37 -0.079 5.206 3.081 1.00 0.00 C ATOM 562 O SER A 37 -0.739 4.206 2.792 1.00 0.00 O ATOM 563 CB SER A 37 -1.215 6.577 4.823 1.00 0.00 C ATOM 564 OG SER A 37 -0.140 7.018 5.642 1.00 0.00 O ATOM 0 H SER A 37 -2.769 6.324 2.786 1.00 0.00 H new ATOM 0 HA SER A 37 -0.051 7.354 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.069 7.245 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.542 5.586 5.136 1.00 0.00 H new ATOM 0 HG SER A 37 -0.430 7.042 6.578 1.00 0.00 H new ATOM 570 N THR A 38 1.253 5.200 3.185 1.00 0.00 N ATOM 571 CA THR A 38 2.029 3.975 2.960 1.00 0.00 C ATOM 572 C THR A 38 1.584 2.882 3.937 1.00 0.00 C ATOM 573 O THR A 38 1.479 1.711 3.569 1.00 0.00 O ATOM 574 CB THR A 38 3.530 4.236 3.144 1.00 0.00 C ATOM 575 OG1 THR A 38 3.743 5.005 4.321 1.00 0.00 O ATOM 576 CG2 THR A 38 4.065 4.997 1.931 1.00 0.00 C ATOM 0 H THR A 38 1.813 6.020 3.421 1.00 0.00 H new ATOM 0 HA THR A 38 1.850 3.647 1.936 1.00 0.00 H new ATOM 0 HB THR A 38 4.054 3.285 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.710 5.959 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.131 5.183 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.906 4.404 1.030 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.539 5.947 1.837 1.00 0.00 H new ATOM 584 N LYS A 39 1.306 3.286 5.183 1.00 0.00 N ATOM 585 CA LYS A 39 0.850 2.347 6.209 1.00 0.00 C ATOM 586 C LYS A 39 -0.578 1.861 5.915 1.00 0.00 C ATOM 587 O LYS A 39 -0.978 0.781 6.355 1.00 0.00 O ATOM 588 CB LYS A 39 0.890 3.011 7.593 1.00 0.00 C ATOM 589 CG LYS A 39 -0.061 4.215 7.636 1.00 0.00 C ATOM 590 CD LYS A 39 -1.051 4.049 8.793 1.00 0.00 C ATOM 591 CE LYS A 39 -1.483 5.429 9.300 1.00 0.00 C ATOM 592 NZ LYS A 39 -0.558 5.880 10.380 1.00 0.00 N ATOM 0 H LYS A 39 1.389 4.252 5.501 1.00 0.00 H new ATOM 0 HA LYS A 39 1.521 1.488 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.607 2.288 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.906 3.334 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.508 5.136 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.600 4.299 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.922 3.483 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.590 3.481 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.477 6.147 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.505 5.385 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.854 6.817 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.585 5.200 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.411 5.938 10.006 1.00 0.00 H new ATOM 606 N GLU A 40 -1.339 2.671 5.162 1.00 0.00 N ATOM 607 CA GLU A 40 -2.718 2.317 4.808 1.00 0.00 C ATOM 608 C GLU A 40 -2.768 1.334 3.627 1.00 0.00 C ATOM 609 O GLU A 40 -3.849 0.892 3.233 1.00 0.00 O ATOM 610 CB GLU A 40 -3.516 3.575 4.441 1.00 0.00 C ATOM 611 CG GLU A 40 -4.290 4.072 5.666 1.00 0.00 C ATOM 612 CD GLU A 40 -5.370 3.059 6.044 1.00 0.00 C ATOM 613 OE1 GLU A 40 -6.345 2.961 5.319 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.203 2.395 7.054 1.00 0.00 O ATOM 0 H GLU A 40 -1.024 3.567 4.791 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.159 1.836 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.842 4.354 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.207 3.354 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.608 4.219 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.745 5.039 5.452 1.00 0.00 H new ATOM 621 N LEU A 41 -1.597 0.991 3.067 1.00 0.00 N ATOM 622 CA LEU A 41 -1.535 0.054 1.941 1.00 0.00 C ATOM 623 C LEU A 41 -2.142 -1.298 2.334 1.00 0.00 C ATOM 624 O LEU A 41 -2.861 -1.917 1.550 1.00 0.00 O ATOM 625 CB LEU A 41 -0.083 -0.155 1.497 1.00 0.00 C ATOM 626 CG LEU A 41 0.121 -0.433 0.004 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.567 -1.747 -0.380 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.472 0.716 -0.820 1.00 0.00 C ATOM 0 H LEU A 41 -0.691 1.346 3.373 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.107 0.480 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.491 0.732 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.335 -0.987 2.063 1.00 0.00 H new ATOM 0 HG LEU A 41 1.188 -0.514 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.418 -1.939 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.139 -2.565 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.634 -1.674 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.326 0.516 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.538 0.801 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.026 1.649 -0.555 1.00 0.00 H new ATOM 640 N GLY A 42 -1.856 -1.741 3.559 1.00 0.00 N ATOM 641 CA GLY A 42 -2.390 -3.015 4.052 1.00 0.00 C ATOM 642 C GLY A 42 -3.924 -2.993 4.127 1.00 0.00 C ATOM 643 O GLY A 42 -4.565 -4.045 4.170 1.00 0.00 O ATOM 0 H GLY A 42 -1.264 -1.243 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.069 -3.823 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.980 -3.224 5.040 1.00 0.00 H new ATOM 647 N LYS A 43 -4.504 -1.785 4.144 1.00 0.00 N ATOM 648 CA LYS A 43 -5.957 -1.634 4.216 1.00 0.00 C ATOM 649 C LYS A 43 -6.591 -1.737 2.826 1.00 0.00 C ATOM 650 O LYS A 43 -7.653 -2.342 2.665 1.00 0.00 O ATOM 651 CB LYS A 43 -6.313 -0.276 4.833 1.00 0.00 C ATOM 652 CG LYS A 43 -7.800 -0.241 5.199 1.00 0.00 C ATOM 653 CD LYS A 43 -8.049 -1.098 6.445 1.00 0.00 C ATOM 654 CE LYS A 43 -9.322 -1.927 6.250 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.288 -3.115 7.150 1.00 0.00 N ATOM 0 H LYS A 43 -3.989 -0.905 4.109 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.347 -2.438 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.707 -0.101 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.084 0.524 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.114 0.786 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.398 -0.612 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.198 -1.755 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.149 -0.461 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.201 -1.319 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.404 -2.247 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.153 -3.677 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.458 -3.699 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.230 -2.800 8.139 1.00 0.00 H new ATOM 669 N VAL A 44 -5.932 -1.141 1.822 1.00 0.00 N ATOM 670 CA VAL A 44 -6.453 -1.179 0.451 1.00 0.00 C ATOM 671 C VAL A 44 -6.374 -2.598 -0.120 1.00 0.00 C ATOM 672 O VAL A 44 -7.249 -3.014 -0.877 1.00 0.00 O ATOM 673 CB VAL A 44 -5.697 -0.207 -0.471 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.997 1.232 -0.050 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.188 -0.449 -0.388 1.00 0.00 C ATOM 0 H VAL A 44 -5.053 -0.636 1.931 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.496 -0.867 0.495 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.026 -0.374 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.462 1.921 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.068 1.418 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.675 1.384 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.671 0.248 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.851 -0.297 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.966 -1.471 -0.695 1.00 0.00 H new ATOM 685 N MET A 45 -5.327 -3.341 0.265 1.00 0.00 N ATOM 686 CA MET A 45 -5.163 -4.722 -0.203 1.00 0.00 C ATOM 687 C MET A 45 -6.315 -5.588 0.300 1.00 0.00 C ATOM 688 O MET A 45 -6.815 -6.453 -0.418 1.00 0.00 O ATOM 689 CB MET A 45 -3.842 -5.332 0.295 1.00 0.00 C ATOM 690 CG MET A 45 -2.663 -4.414 -0.046 1.00 0.00 C ATOM 691 SD MET A 45 -1.917 -4.945 -1.605 1.00 0.00 S ATOM 692 CE MET A 45 -3.307 -4.486 -2.665 1.00 0.00 C ATOM 0 H MET A 45 -4.591 -3.014 0.891 1.00 0.00 H new ATOM 0 HA MET A 45 -5.155 -4.696 -1.293 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.890 -5.487 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.692 -6.311 -0.161 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.003 -3.382 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.922 -4.444 0.753 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.933 -4.164 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.964 -5.346 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.864 -3.671 -2.202 1.00 0.00 H new ATOM 702 N ARG A 46 -6.732 -5.336 1.543 1.00 0.00 N ATOM 703 CA ARG A 46 -7.833 -6.091 2.149 1.00 0.00 C ATOM 704 C ARG A 46 -9.149 -5.812 1.419 1.00 0.00 C ATOM 705 O ARG A 46 -9.988 -6.703 1.272 1.00 0.00 O ATOM 706 CB ARG A 46 -7.994 -5.713 3.627 1.00 0.00 C ATOM 707 CG ARG A 46 -7.047 -6.561 4.482 1.00 0.00 C ATOM 708 CD ARG A 46 -7.858 -7.545 5.328 1.00 0.00 C ATOM 709 NE ARG A 46 -8.193 -8.748 4.558 1.00 0.00 N ATOM 710 CZ ARG A 46 -8.994 -9.701 5.055 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.509 -9.586 6.257 1.00 0.00 N ATOM 712 NH2 ARG A 46 -9.265 -10.759 4.333 1.00 0.00 N ATOM 0 H ARG A 46 -6.328 -4.620 2.147 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.593 -7.151 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.777 -4.654 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.025 -5.871 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.351 -7.104 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.450 -5.917 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.288 -7.823 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.773 -7.064 5.675 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.807 -8.862 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.301 -8.764 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.117 -10.318 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.867 -10.854 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.874 -11.488 4.705 1.00 0.00 H new ATOM 726 N MET A 47 -9.317 -4.566 0.962 1.00 0.00 N ATOM 727 CA MET A 47 -10.534 -4.174 0.247 1.00 0.00 C ATOM 728 C MET A 47 -10.494 -4.651 -1.209 1.00 0.00 C ATOM 729 O MET A 47 -11.523 -5.030 -1.772 1.00 0.00 O ATOM 730 CB MET A 47 -10.704 -2.651 0.270 1.00 0.00 C ATOM 731 CG MET A 47 -11.237 -2.217 1.637 1.00 0.00 C ATOM 732 SD MET A 47 -12.090 -0.629 1.477 1.00 0.00 S ATOM 733 CE MET A 47 -13.398 -0.951 2.687 1.00 0.00 C ATOM 0 H MET A 47 -8.632 -3.819 1.074 1.00 0.00 H new ATOM 0 HA MET A 47 -11.378 -4.643 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.749 -2.165 0.069 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.392 -2.339 -0.516 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.920 -2.971 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.416 -2.131 2.348 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.055 -0.084 2.752 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.975 -1.821 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.952 -1.142 3.663 1.00 0.00 H new ATOM 743 N LEU A 48 -9.301 -4.624 -1.812 1.00 0.00 N ATOM 744 CA LEU A 48 -9.138 -5.052 -3.204 1.00 0.00 C ATOM 745 C LEU A 48 -9.327 -6.565 -3.333 1.00 0.00 C ATOM 746 O LEU A 48 -10.167 -7.033 -4.104 1.00 0.00 O ATOM 747 CB LEU A 48 -7.744 -4.674 -3.727 1.00 0.00 C ATOM 748 CG LEU A 48 -7.713 -4.006 -5.108 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.523 -4.838 -6.106 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.310 -2.599 -5.011 1.00 0.00 C ATOM 0 H LEU A 48 -8.440 -4.313 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.898 -4.543 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.276 -4.002 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.133 -5.576 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.680 -3.940 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.497 -4.359 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.094 -5.837 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.556 -4.911 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.287 -2.126 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.341 -2.664 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.727 -2.004 -4.308 1.00 0.00 H new ATOM 762 N GLY A 49 -8.533 -7.319 -2.569 1.00 0.00 N ATOM 763 CA GLY A 49 -8.608 -8.781 -2.597 1.00 0.00 C ATOM 764 C GLY A 49 -7.234 -9.396 -2.345 1.00 0.00 C ATOM 765 O GLY A 49 -6.710 -10.139 -3.176 1.00 0.00 O ATOM 0 H GLY A 49 -7.835 -6.944 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.312 -9.129 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.989 -9.112 -3.563 1.00 0.00 H new ATOM 769 N GLN A 50 -6.660 -9.067 -1.185 1.00 0.00 N ATOM 770 CA GLN A 50 -5.338 -9.575 -0.810 1.00 0.00 C ATOM 771 C GLN A 50 -5.175 -9.563 0.710 1.00 0.00 C ATOM 772 O GLN A 50 -5.850 -8.807 1.415 1.00 0.00 O ATOM 773 CB GLN A 50 -4.235 -8.710 -1.431 1.00 0.00 C ATOM 774 CG GLN A 50 -3.726 -9.368 -2.717 1.00 0.00 C ATOM 775 CD GLN A 50 -2.335 -8.834 -3.046 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.193 -7.899 -3.832 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.288 -9.378 -2.485 1.00 0.00 N ATOM 0 H GLN A 50 -7.088 -8.453 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.253 -10.597 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.620 -7.714 -1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.414 -8.587 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.692 -10.451 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.411 -9.161 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.404 -10.154 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.355 -9.027 -2.699 1.00 0.00 H new ATOM 786 N ASN A 51 -4.271 -10.410 1.208 1.00 0.00 N ATOM 787 CA ASN A 51 -4.026 -10.489 2.648 1.00 0.00 C ATOM 788 C ASN A 51 -2.553 -10.816 2.933 1.00 0.00 C ATOM 789 O ASN A 51 -2.216 -11.936 3.331 1.00 0.00 O ATOM 790 CB ASN A 51 -4.928 -11.558 3.282 1.00 0.00 C ATOM 791 CG ASN A 51 -5.128 -11.250 4.764 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.567 -10.157 5.124 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.833 -12.157 5.655 1.00 0.00 N ATOM 0 H ASN A 51 -3.704 -11.043 0.643 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.258 -9.518 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.891 -11.583 2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.479 -12.544 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.966 -11.960 6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.469 -13.063 5.359 1.00 0.00 H new ATOM 800 N PRO A 52 -1.662 -9.834 2.737 1.00 0.00 N ATOM 801 CA PRO A 52 -0.214 -10.010 2.978 1.00 0.00 C ATOM 802 C PRO A 52 0.164 -9.834 4.452 1.00 0.00 C ATOM 803 O PRO A 52 -0.700 -9.811 5.332 1.00 0.00 O ATOM 804 CB PRO A 52 0.391 -8.892 2.135 1.00 0.00 C ATOM 805 CG PRO A 52 -0.686 -7.827 1.967 1.00 0.00 C ATOM 806 CD PRO A 52 -2.039 -8.486 2.259 1.00 0.00 C ATOM 0 HA PRO A 52 0.134 -11.011 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.272 -8.475 2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.713 -9.271 1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.511 -6.994 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.668 -7.421 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.601 -7.934 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.664 -8.535 1.367 1.00 0.00 H new ATOM 814 N THR A 53 1.468 -9.700 4.702 1.00 0.00 N ATOM 815 CA THR A 53 1.970 -9.510 6.065 1.00 0.00 C ATOM 816 C THR A 53 2.506 -8.081 6.213 1.00 0.00 C ATOM 817 O THR A 53 2.587 -7.341 5.230 1.00 0.00 O ATOM 818 CB THR A 53 3.093 -10.521 6.381 1.00 0.00 C ATOM 819 OG1 THR A 53 4.348 -10.008 5.954 1.00 0.00 O ATOM 820 CG2 THR A 53 2.824 -11.849 5.669 1.00 0.00 C ATOM 0 H THR A 53 2.192 -9.719 3.984 1.00 0.00 H new ATOM 0 HA THR A 53 1.152 -9.674 6.766 1.00 0.00 H new ATOM 0 HB THR A 53 3.116 -10.686 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.054 -10.656 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.623 -12.554 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.871 -12.257 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.786 -11.683 4.592 1.00 0.00 H new ATOM 828 N PRO A 54 2.891 -7.676 7.429 1.00 0.00 N ATOM 829 CA PRO A 54 3.432 -6.320 7.661 1.00 0.00 C ATOM 830 C PRO A 54 4.844 -6.154 7.099 1.00 0.00 C ATOM 831 O PRO A 54 5.240 -5.057 6.705 1.00 0.00 O ATOM 832 CB PRO A 54 3.413 -6.211 9.181 1.00 0.00 C ATOM 833 CG PRO A 54 3.422 -7.631 9.725 1.00 0.00 C ATOM 834 CD PRO A 54 2.827 -8.529 8.637 1.00 0.00 C ATOM 0 HA PRO A 54 2.856 -5.541 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.279 -5.655 9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.527 -5.674 9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.437 -7.944 9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.837 -7.697 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.401 -9.447 8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.803 -8.822 8.871 1.00 0.00 H new ATOM 842 N GLU A 55 5.587 -7.263 7.049 1.00 0.00 N ATOM 843 CA GLU A 55 6.949 -7.246 6.513 1.00 0.00 C ATOM 844 C GLU A 55 6.913 -7.366 4.988 1.00 0.00 C ATOM 845 O GLU A 55 7.699 -6.727 4.283 1.00 0.00 O ATOM 846 CB GLU A 55 7.777 -8.405 7.083 1.00 0.00 C ATOM 847 CG GLU A 55 7.547 -8.516 8.594 1.00 0.00 C ATOM 848 CD GLU A 55 8.523 -9.527 9.189 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.176 -10.695 9.243 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.603 -9.118 9.585 1.00 0.00 O ATOM 0 H GLU A 55 5.270 -8.178 7.371 1.00 0.00 H new ATOM 0 HA GLU A 55 7.411 -6.302 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.497 -9.338 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.835 -8.243 6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.684 -7.543 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.521 -8.825 8.794 1.00 0.00 H new ATOM 857 N GLU A 56 5.984 -8.194 4.489 1.00 0.00 N ATOM 858 CA GLU A 56 5.837 -8.404 3.047 1.00 0.00 C ATOM 859 C GLU A 56 5.354 -7.126 2.360 1.00 0.00 C ATOM 860 O GLU A 56 5.959 -6.664 1.391 1.00 0.00 O ATOM 861 CB GLU A 56 4.836 -9.532 2.770 1.00 0.00 C ATOM 862 CG GLU A 56 5.287 -10.335 1.546 1.00 0.00 C ATOM 863 CD GLU A 56 4.513 -11.648 1.486 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.430 -11.651 0.924 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.014 -12.633 2.004 1.00 0.00 O ATOM 0 H GLU A 56 5.328 -8.725 5.061 1.00 0.00 H new ATOM 0 HA GLU A 56 6.814 -8.678 2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.761 -10.186 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.843 -9.116 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.117 -9.758 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.357 -10.534 1.602 1.00 0.00 H new ATOM 872 N LEU A 57 4.256 -6.558 2.877 1.00 0.00 N ATOM 873 CA LEU A 57 3.695 -5.329 2.313 1.00 0.00 C ATOM 874 C LEU A 57 4.705 -4.178 2.398 1.00 0.00 C ATOM 875 O LEU A 57 4.760 -3.328 1.509 1.00 0.00 O ATOM 876 CB LEU A 57 2.394 -4.949 3.046 1.00 0.00 C ATOM 877 CG LEU A 57 2.312 -3.514 3.582 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.848 -3.081 3.666 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.942 -3.446 4.979 1.00 0.00 C ATOM 0 H LEU A 57 3.744 -6.928 3.678 1.00 0.00 H new ATOM 0 HA LEU A 57 3.469 -5.510 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.558 -5.108 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.259 -5.635 3.882 1.00 0.00 H new ATOM 0 HG LEU A 57 2.852 -2.849 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.791 -2.061 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.399 -3.123 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.309 -3.749 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.882 -2.425 5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.406 -4.114 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.987 -3.751 4.922 1.00 0.00 H new ATOM 891 N GLN A 58 5.500 -4.160 3.477 1.00 0.00 N ATOM 892 CA GLN A 58 6.504 -3.106 3.669 1.00 0.00 C ATOM 893 C GLN A 58 7.462 -3.046 2.479 1.00 0.00 C ATOM 894 O GLN A 58 7.759 -1.966 1.964 1.00 0.00 O ATOM 895 CB GLN A 58 7.310 -3.347 4.951 1.00 0.00 C ATOM 896 CG GLN A 58 8.022 -2.053 5.363 1.00 0.00 C ATOM 897 CD GLN A 58 6.991 -1.015 5.801 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.616 -0.959 6.972 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.504 -0.179 4.921 1.00 0.00 N ATOM 0 H GLN A 58 5.468 -4.856 4.222 1.00 0.00 H new ATOM 0 HA GLN A 58 5.973 -2.158 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.649 -3.680 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.040 -4.140 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.719 -2.253 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.608 -1.668 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.813 -0.223 3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.815 0.517 5.206 1.00 0.00 H new ATOM 908 N GLU A 59 7.934 -4.218 2.046 1.00 0.00 N ATOM 909 CA GLU A 59 8.853 -4.292 0.908 1.00 0.00 C ATOM 910 C GLU A 59 8.181 -3.764 -0.359 1.00 0.00 C ATOM 911 O GLU A 59 8.811 -3.084 -1.168 1.00 0.00 O ATOM 912 CB GLU A 59 9.303 -5.736 0.665 1.00 0.00 C ATOM 913 CG GLU A 59 10.255 -6.173 1.781 1.00 0.00 C ATOM 914 CD GLU A 59 11.168 -7.282 1.267 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.215 -6.959 0.731 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.807 -8.438 1.418 1.00 0.00 O ATOM 0 H GLU A 59 7.698 -5.119 2.461 1.00 0.00 H new ATOM 0 HA GLU A 59 9.722 -3.678 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.437 -6.397 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.800 -5.815 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.850 -5.325 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.686 -6.525 2.641 1.00 0.00 H new ATOM 923 N MET A 60 6.890 -4.080 -0.518 1.00 0.00 N ATOM 924 CA MET A 60 6.134 -3.631 -1.687 1.00 0.00 C ATOM 925 C MET A 60 6.020 -2.107 -1.696 1.00 0.00 C ATOM 926 O MET A 60 6.221 -1.472 -2.729 1.00 0.00 O ATOM 927 CB MET A 60 4.729 -4.242 -1.689 1.00 0.00 C ATOM 928 CG MET A 60 4.793 -5.671 -2.237 1.00 0.00 C ATOM 929 SD MET A 60 3.553 -6.694 -1.407 1.00 0.00 S ATOM 930 CE MET A 60 2.102 -6.026 -2.257 1.00 0.00 C ATOM 0 H MET A 60 6.353 -4.640 0.144 1.00 0.00 H new ATOM 0 HA MET A 60 6.668 -3.959 -2.579 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.322 -4.247 -0.678 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.059 -3.637 -2.300 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.616 -5.667 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.788 -6.088 -2.079 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.429 -5.574 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.418 -5.271 -2.977 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.584 -6.830 -2.779 1.00 0.00 H new ATOM 940 N ILE A 61 5.698 -1.532 -0.529 1.00 0.00 N ATOM 941 CA ILE A 61 5.562 -0.080 -0.401 1.00 0.00 C ATOM 942 C ILE A 61 6.828 0.629 -0.886 1.00 0.00 C ATOM 943 O ILE A 61 6.810 1.315 -1.905 1.00 0.00 O ATOM 944 CB ILE A 61 5.296 0.285 1.062 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.895 -0.189 1.443 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.403 1.799 1.255 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.889 -0.628 2.904 1.00 0.00 C ATOM 0 H ILE A 61 5.528 -2.049 0.334 1.00 0.00 H new ATOM 0 HA ILE A 61 4.725 0.245 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 61 6.036 -0.199 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.173 0.613 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.592 -1.017 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.212 2.047 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.404 2.131 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.669 2.299 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.890 -0.967 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.599 -1.443 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.174 0.212 3.538 1.00 0.00 H new ATOM 959 N ASP A 62 7.920 0.459 -0.134 1.00 0.00 N ATOM 960 CA ASP A 62 9.200 1.090 -0.486 1.00 0.00 C ATOM 961 C ASP A 62 9.570 0.834 -1.954 1.00 0.00 C ATOM 962 O ASP A 62 10.133 1.707 -2.617 1.00 0.00 O ATOM 963 CB ASP A 62 10.325 0.557 0.410 1.00 0.00 C ATOM 964 CG ASP A 62 11.489 1.545 0.414 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.475 2.444 1.240 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.377 1.390 -0.409 1.00 0.00 O ATOM 0 H ASP A 62 7.946 -0.105 0.716 1.00 0.00 H new ATOM 0 HA ASP A 62 9.082 2.163 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.956 0.410 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.661 -0.415 0.049 1.00 0.00 H new ATOM 971 N GLU A 63 9.251 -0.369 -2.451 1.00 0.00 N ATOM 972 CA GLU A 63 9.558 -0.729 -3.840 1.00 0.00 C ATOM 973 C GLU A 63 8.791 0.159 -4.826 1.00 0.00 C ATOM 974 O GLU A 63 9.380 0.735 -5.743 1.00 0.00 O ATOM 975 CB GLU A 63 9.196 -2.195 -4.110 1.00 0.00 C ATOM 976 CG GLU A 63 10.382 -3.094 -3.750 1.00 0.00 C ATOM 977 CD GLU A 63 10.023 -4.551 -4.035 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.449 -5.182 -3.163 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.329 -5.015 -5.123 1.00 0.00 O ATOM 0 H GLU A 63 8.785 -1.102 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 63 10.628 -0.581 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.322 -2.478 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.932 -2.327 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.260 -2.805 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.639 -2.971 -2.698 1.00 0.00 H new ATOM 986 N VAL A 64 7.471 0.253 -4.635 1.00 0.00 N ATOM 987 CA VAL A 64 6.625 1.064 -5.523 1.00 0.00 C ATOM 988 C VAL A 64 6.778 2.566 -5.248 1.00 0.00 C ATOM 989 O VAL A 64 6.440 3.390 -6.100 1.00 0.00 O ATOM 990 CB VAL A 64 5.144 0.688 -5.365 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.960 -0.816 -5.593 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.659 1.058 -3.959 1.00 0.00 C ATOM 0 H VAL A 64 6.967 -0.216 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 64 6.957 0.855 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 64 4.559 1.237 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.907 -1.075 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.291 -1.075 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.551 -1.370 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.608 0.789 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.248 0.518 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.776 2.131 -3.804 1.00 0.00 H new ATOM 1002 N ASP A 65 7.273 2.916 -4.053 1.00 0.00 N ATOM 1003 CA ASP A 65 7.446 4.323 -3.690 1.00 0.00 C ATOM 1004 C ASP A 65 8.594 4.932 -4.498 1.00 0.00 C ATOM 1005 O ASP A 65 9.753 4.923 -4.076 1.00 0.00 O ATOM 1006 CB ASP A 65 7.735 4.463 -2.188 1.00 0.00 C ATOM 1007 CG ASP A 65 6.952 5.644 -1.615 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.154 6.753 -2.082 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.158 5.421 -0.718 1.00 0.00 O ATOM 0 H ASP A 65 7.556 2.252 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 65 6.522 4.855 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.458 3.546 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.803 4.611 -2.027 1.00 0.00 H new ATOM 1014 N GLU A 66 8.246 5.440 -5.681 1.00 0.00 N ATOM 1015 CA GLU A 66 9.233 6.041 -6.584 1.00 0.00 C ATOM 1016 C GLU A 66 9.812 7.336 -6.007 1.00 0.00 C ATOM 1017 O GLU A 66 11.007 7.604 -6.139 1.00 0.00 O ATOM 1018 CB GLU A 66 8.593 6.347 -7.943 1.00 0.00 C ATOM 1019 CG GLU A 66 8.233 5.037 -8.654 1.00 0.00 C ATOM 1020 CD GLU A 66 9.461 4.488 -9.378 1.00 0.00 C ATOM 1021 OE1 GLU A 66 9.685 4.887 -10.509 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.156 3.675 -8.791 1.00 0.00 O ATOM 0 H GLU A 66 7.290 5.448 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 66 10.041 5.320 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.699 6.955 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.281 6.928 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.870 4.307 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.426 5.209 -9.366 1.00 0.00 H new ATOM 1029 N ASP A 67 8.950 8.138 -5.374 1.00 0.00 N ATOM 1030 CA ASP A 67 9.389 9.413 -4.789 1.00 0.00 C ATOM 1031 C ASP A 67 10.022 9.205 -3.410 1.00 0.00 C ATOM 1032 O ASP A 67 11.054 9.800 -3.098 1.00 0.00 O ATOM 1033 CB ASP A 67 8.219 10.408 -4.663 1.00 0.00 C ATOM 1034 CG ASP A 67 6.942 9.694 -4.212 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.733 9.588 -3.016 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.190 9.266 -5.072 1.00 0.00 O ATOM 0 H ASP A 67 7.958 7.933 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 67 10.136 9.827 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.476 11.189 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.048 10.898 -5.622 1.00 0.00 H new ATOM 1041 N GLY A 68 9.390 8.364 -2.587 1.00 0.00 N ATOM 1042 CA GLY A 68 9.895 8.096 -1.240 1.00 0.00 C ATOM 1043 C GLY A 68 9.593 9.270 -0.311 1.00 0.00 C ATOM 1044 O GLY A 68 10.453 9.707 0.456 1.00 0.00 O ATOM 0 H GLY A 68 8.536 7.862 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.437 7.188 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.970 7.921 -1.277 1.00 0.00 H new ATOM 1048 N SER A 69 8.359 9.779 -0.401 1.00 0.00 N ATOM 1049 CA SER A 69 7.942 10.915 0.424 1.00 0.00 C ATOM 1050 C SER A 69 7.249 10.439 1.703 1.00 0.00 C ATOM 1051 O SER A 69 7.591 10.871 2.806 1.00 0.00 O ATOM 1052 CB SER A 69 6.984 11.823 -0.355 1.00 0.00 C ATOM 1053 OG SER A 69 5.852 11.072 -0.783 1.00 0.00 O ATOM 0 H SER A 69 7.639 9.425 -1.031 1.00 0.00 H new ATOM 0 HA SER A 69 8.839 11.474 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.664 12.655 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.495 12.252 -1.217 1.00 0.00 H new ATOM 0 HG SER A 69 6.090 10.544 -1.573 1.00 0.00 H new ATOM 1059 N GLY A 70 6.263 9.554 1.537 1.00 0.00 N ATOM 1060 CA GLY A 70 5.509 9.028 2.675 1.00 0.00 C ATOM 1061 C GLY A 70 4.096 8.611 2.258 1.00 0.00 C ATOM 1062 O GLY A 70 3.498 7.722 2.866 1.00 0.00 O ATOM 0 H GLY A 70 5.970 9.189 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.034 8.171 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.452 9.785 3.458 1.00 0.00 H new ATOM 1066 N THR A 71 3.570 9.264 1.214 1.00 0.00 N ATOM 1067 CA THR A 71 2.226 8.956 0.719 1.00 0.00 C ATOM 1068 C THR A 71 2.304 8.146 -0.574 1.00 0.00 C ATOM 1069 O THR A 71 3.280 8.236 -1.323 1.00 0.00 O ATOM 1070 CB THR A 71 1.435 10.243 0.451 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.074 10.995 -0.578 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.360 11.078 1.732 1.00 0.00 C ATOM 0 H THR A 71 4.051 10.002 0.701 1.00 0.00 H new ATOM 0 HA THR A 71 1.717 8.373 1.487 1.00 0.00 H new ATOM 0 HB THR A 71 0.425 9.985 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.395 11.439 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.798 11.991 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.861 10.503 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.368 11.335 2.059 1.00 0.00 H new ATOM 1080 N VAL A 72 1.257 7.359 -0.827 1.00 0.00 N ATOM 1081 CA VAL A 72 1.204 6.536 -2.032 1.00 0.00 C ATOM 1082 C VAL A 72 0.192 7.115 -3.019 1.00 0.00 C ATOM 1083 O VAL A 72 -1.015 7.105 -2.772 1.00 0.00 O ATOM 1084 CB VAL A 72 0.802 5.096 -1.686 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.900 4.219 -2.937 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.738 4.547 -0.606 1.00 0.00 C ATOM 0 H VAL A 72 0.442 7.275 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 72 2.196 6.531 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.224 5.088 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.614 3.197 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.231 4.606 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.925 4.229 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.451 3.524 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.764 4.558 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.666 5.167 0.287 1.00 0.00 H new ATOM 1096 N ASP A 73 0.701 7.611 -4.143 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.159 8.185 -5.177 1.00 0.00 C ATOM 1098 C ASP A 73 -0.669 7.079 -6.098 1.00 0.00 C ATOM 1099 O ASP A 73 -0.365 5.902 -5.895 1.00 0.00 O ATOM 1100 CB ASP A 73 0.610 9.222 -6.005 1.00 0.00 C ATOM 1101 CG ASP A 73 0.886 10.458 -5.151 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.853 10.440 -4.405 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.126 11.406 -5.254 1.00 0.00 O ATOM 0 H ASP A 73 1.697 7.628 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.002 8.677 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.548 8.796 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.032 9.499 -6.887 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.448 7.462 -7.110 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.991 6.482 -8.052 1.00 0.00 C ATOM 1110 C PHE A 74 -0.871 5.824 -8.861 1.00 0.00 C ATOM 1111 O PHE A 74 -0.961 4.648 -9.212 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.988 7.136 -9.011 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.933 6.085 -9.543 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.611 5.238 -8.658 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.132 5.961 -10.921 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.489 4.267 -9.151 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.012 4.991 -11.415 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.692 4.145 -10.530 1.00 0.00 C ATOM 0 H PHE A 74 -1.714 8.429 -7.298 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.507 5.720 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.547 7.917 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.458 7.615 -9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.456 5.334 -7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.607 6.613 -11.604 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.010 3.612 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.167 4.895 -12.480 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.373 3.399 -10.912 1.00 0.00 H new ATOM 1128 N ASP A 75 0.193 6.587 -9.135 1.00 0.00 N ATOM 1129 CA ASP A 75 1.334 6.051 -9.880 1.00 0.00 C ATOM 1130 C ASP A 75 2.010 4.949 -9.067 1.00 0.00 C ATOM 1131 O ASP A 75 2.463 3.945 -9.616 1.00 0.00 O ATOM 1132 CB ASP A 75 2.356 7.153 -10.181 1.00 0.00 C ATOM 1133 CG ASP A 75 2.115 7.704 -11.582 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.310 8.611 -11.712 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.740 7.210 -12.507 1.00 0.00 O ATOM 0 H ASP A 75 0.287 7.564 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 75 0.966 5.646 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.271 7.953 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.368 6.755 -10.105 1.00 0.00 H new ATOM 1140 N GLU A 76 2.049 5.148 -7.744 1.00 0.00 N ATOM 1141 CA GLU A 76 2.645 4.168 -6.830 1.00 0.00 C ATOM 1142 C GLU A 76 1.642 3.049 -6.526 1.00 0.00 C ATOM 1143 O GLU A 76 2.025 1.933 -6.169 1.00 0.00 O ATOM 1144 CB GLU A 76 3.061 4.836 -5.512 1.00 0.00 C ATOM 1145 CG GLU A 76 3.731 6.183 -5.802 1.00 0.00 C ATOM 1146 CD GLU A 76 4.034 6.912 -4.490 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.729 6.350 -3.663 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.567 8.024 -4.335 1.00 0.00 O ATOM 0 H GLU A 76 1.675 5.978 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 76 3.528 3.751 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.188 4.983 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.747 4.188 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.653 6.026 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.080 6.795 -6.426 1.00 0.00 H new ATOM 1155 N PHE A 77 0.351 3.368 -6.673 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.717 2.399 -6.419 1.00 0.00 C ATOM 1157 C PHE A 77 -0.830 1.402 -7.579 1.00 0.00 C ATOM 1158 O PHE A 77 -1.037 0.205 -7.364 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.053 3.138 -6.249 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.132 2.182 -5.795 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.116 1.669 -4.492 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.151 1.816 -6.681 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.122 0.788 -4.076 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.157 0.935 -6.265 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.142 0.420 -4.963 1.00 0.00 C ATOM 0 H PHE A 77 0.023 4.288 -6.966 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.479 1.851 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.941 3.942 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.342 3.601 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.329 1.952 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.162 2.213 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.111 0.392 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.944 0.653 -6.948 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.917 -0.261 -4.643 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.703 1.911 -8.810 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.802 1.069 -10.006 1.00 0.00 C ATOM 1177 C LEU A 78 0.442 0.196 -10.200 1.00 0.00 C ATOM 1178 O LEU A 78 0.332 -0.961 -10.614 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.986 1.939 -11.255 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.337 2.659 -11.373 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.629 2.965 -12.844 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.446 1.769 -10.809 1.00 0.00 C ATOM 0 H LEU A 78 -0.532 2.898 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.665 0.419 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.194 2.687 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.852 1.311 -12.136 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.298 3.591 -10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.588 3.476 -12.926 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.842 3.603 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.665 2.034 -13.409 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.404 2.283 -10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.484 0.835 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.242 1.554 -9.760 1.00 0.00 H new ATOM 1194 N VAL A 79 1.622 0.759 -9.915 1.00 0.00 N ATOM 1195 CA VAL A 79 2.880 0.013 -10.084 1.00 0.00 C ATOM 1196 C VAL A 79 2.903 -1.267 -9.244 1.00 0.00 C ATOM 1197 O VAL A 79 3.580 -2.223 -9.597 1.00 0.00 O ATOM 1198 CB VAL A 79 4.103 0.860 -9.713 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.332 1.931 -10.781 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.894 1.527 -8.353 1.00 0.00 C ATOM 0 H VAL A 79 1.735 1.713 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 79 2.929 -0.248 -11.141 1.00 0.00 H new ATOM 0 HB VAL A 79 4.976 0.210 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.202 2.531 -10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.503 1.453 -11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.454 2.574 -10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.770 2.125 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.015 2.171 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.747 0.762 -7.591 1.00 0.00 H new ATOM 1210 N MET A 80 2.166 -1.272 -8.132 1.00 0.00 N ATOM 1211 CA MET A 80 2.115 -2.448 -7.248 1.00 0.00 C ATOM 1212 C MET A 80 1.876 -3.744 -8.031 1.00 0.00 C ATOM 1213 O MET A 80 2.387 -4.803 -7.661 1.00 0.00 O ATOM 1214 CB MET A 80 0.993 -2.286 -6.218 1.00 0.00 C ATOM 1215 CG MET A 80 1.591 -2.006 -4.841 1.00 0.00 C ATOM 1216 SD MET A 80 0.478 -0.923 -3.908 1.00 0.00 S ATOM 1217 CE MET A 80 -0.938 -2.050 -3.841 1.00 0.00 C ATOM 0 H MET A 80 1.599 -0.484 -7.820 1.00 0.00 H new ATOM 0 HA MET A 80 3.083 -2.515 -6.751 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.333 -1.469 -6.511 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.385 -3.190 -6.184 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.743 -2.941 -4.302 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.569 -1.536 -4.946 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.662 -1.682 -3.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.406 -2.105 -4.824 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.599 -3.043 -3.544 1.00 0.00 H new ATOM 1227 N MET A 81 1.093 -3.654 -9.108 1.00 0.00 N ATOM 1228 CA MET A 81 0.792 -4.831 -9.928 1.00 0.00 C ATOM 1229 C MET A 81 1.939 -5.149 -10.894 1.00 0.00 C ATOM 1230 O MET A 81 2.371 -6.298 -11.002 1.00 0.00 O ATOM 1231 CB MET A 81 -0.489 -4.607 -10.738 1.00 0.00 C ATOM 1232 CG MET A 81 -1.709 -4.892 -9.859 1.00 0.00 C ATOM 1233 SD MET A 81 -2.102 -6.658 -9.923 1.00 0.00 S ATOM 1234 CE MET A 81 -3.047 -6.739 -8.382 1.00 0.00 C ATOM 0 H MET A 81 0.660 -2.789 -9.431 1.00 0.00 H new ATOM 0 HA MET A 81 0.659 -5.672 -9.248 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.524 -3.581 -11.105 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.497 -5.259 -11.612 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.508 -4.591 -8.831 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.562 -4.306 -10.202 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.195 -7.782 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.500 -6.224 -7.592 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.016 -6.260 -8.524 1.00 0.00 H new ATOM 1244 N VAL A 82 2.410 -4.123 -11.608 1.00 0.00 N ATOM 1245 CA VAL A 82 3.495 -4.298 -12.587 1.00 0.00 C ATOM 1246 C VAL A 82 4.856 -4.534 -11.914 1.00 0.00 C ATOM 1247 O VAL A 82 5.717 -5.210 -12.478 1.00 0.00 O ATOM 1248 CB VAL A 82 3.599 -3.073 -13.508 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.278 -2.874 -14.260 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.900 -1.824 -12.675 1.00 0.00 C ATOM 0 H VAL A 82 2.062 -3.167 -11.530 1.00 0.00 H new ATOM 0 HA VAL A 82 3.244 -5.183 -13.171 1.00 0.00 H new ATOM 0 HB VAL A 82 4.404 -3.236 -14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.358 -2.004 -14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.064 -3.758 -14.860 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.471 -2.718 -13.544 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.973 -0.957 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.098 -1.666 -11.954 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.843 -1.958 -12.146 1.00 0.00 H new ATOM 1260 N ARG A 83 5.047 -3.972 -10.711 1.00 0.00 N ATOM 1261 CA ARG A 83 6.315 -4.134 -9.983 1.00 0.00 C ATOM 1262 C ARG A 83 6.639 -5.615 -9.756 1.00 0.00 C ATOM 1263 O ARG A 83 7.804 -5.983 -9.589 1.00 0.00 O ATOM 1264 CB ARG A 83 6.271 -3.405 -8.629 1.00 0.00 C ATOM 1265 CG ARG A 83 5.272 -4.089 -7.686 1.00 0.00 C ATOM 1266 CD ARG A 83 6.026 -4.949 -6.668 1.00 0.00 C ATOM 1267 NE ARG A 83 5.146 -5.975 -6.103 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.628 -7.019 -5.416 1.00 0.00 C ATOM 1269 NH1 ARG A 83 6.920 -7.158 -5.222 1.00 0.00 N ATOM 1270 NH2 ARG A 83 4.802 -7.911 -4.931 1.00 0.00 N ATOM 0 H ARG A 83 4.349 -3.408 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 83 7.099 -3.693 -10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.263 -3.402 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.986 -2.364 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.673 -3.339 -7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.582 -4.708 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.883 -5.422 -7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.416 -4.318 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 83 4.138 -5.892 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.569 -6.466 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.274 -7.958 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.798 -7.809 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.163 -8.708 -4.407 1.00 0.00 H new ATOM 1284 N CYS A 84 5.599 -6.460 -9.765 1.00 0.00 N ATOM 1285 CA CYS A 84 5.785 -7.904 -9.574 1.00 0.00 C ATOM 1286 C CYS A 84 6.750 -8.469 -10.622 1.00 0.00 C ATOM 1287 O CYS A 84 7.483 -9.422 -10.349 1.00 0.00 O ATOM 1288 CB CYS A 84 4.446 -8.639 -9.686 1.00 0.00 C ATOM 1289 SG CYS A 84 3.401 -8.215 -8.270 1.00 0.00 S ATOM 0 H CYS A 84 4.630 -6.172 -9.901 1.00 0.00 H new ATOM 0 HA CYS A 84 6.202 -8.055 -8.578 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.946 -8.365 -10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.612 -9.716 -9.719 1.00 0.00 H new ATOM 0 HG CYS A 84 3.211 -6.929 -8.240 1.00 0.00 H new