USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot -62:sc= 0.121 USER MOD Set 2.1: A 21 THR OG1 : rot 80:sc= 1.04 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 9 THR OG1 : rot -29:sc= 0.248 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.2!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.15 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0529 USER MOD Single : A 48 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 52 SER OG : rot 120:sc= 0.0251 USER MOD Single : A 59 ASN : amide:sc= -1.08! C(o=-1.1!,f=-17!) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 66 CYS SG : rot 58:sc= -0.0992 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 0.616 USER MOD Single : A 87 ASN : amide:sc= -2.97! C(o=-3!,f=-6.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.114 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 99 GLN : amide:sc= -2.3 K(o=-2.3,f=-5.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.482 10.895 1.882 1.00 0.00 N ATOM 81 CA THR A 9 -1.844 10.455 1.634 1.00 0.00 C ATOM 82 C THR A 9 -2.280 9.443 2.695 1.00 0.00 C ATOM 83 O THR A 9 -1.566 9.214 3.670 1.00 0.00 O ATOM 84 CB THR A 9 -1.912 9.907 0.207 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.002 8.810 0.214 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.322 10.875 -0.821 1.00 0.00 C ATOM 0 HA THR A 9 -2.547 11.284 1.713 1.00 0.00 H new ATOM 0 HB THR A 9 -2.949 9.692 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.292 8.978 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.395 10.438 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.875 11.814 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.275 11.064 -0.584 1.00 0.00 H new ATOM 94 N SER A 10 -3.451 8.864 2.470 1.00 0.00 N ATOM 95 CA SER A 10 -3.990 7.882 3.394 1.00 0.00 C ATOM 96 C SER A 10 -3.397 6.503 3.098 1.00 0.00 C ATOM 97 O SER A 10 -3.338 6.084 1.943 1.00 0.00 O ATOM 98 CB SER A 10 -5.518 7.831 3.314 1.00 0.00 C ATOM 99 OG SER A 10 -6.128 8.152 4.561 1.00 0.00 O ATOM 0 H SER A 10 -4.041 9.057 1.661 1.00 0.00 H new ATOM 0 HA SER A 10 -3.715 8.179 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.865 8.528 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.832 6.835 3.002 1.00 0.00 H new ATOM 0 HG SER A 10 -7.103 8.110 4.469 1.00 0.00 H new ATOM 105 N ALA A 11 -2.973 5.836 4.161 1.00 0.00 N ATOM 106 CA ALA A 11 -2.386 4.513 4.029 1.00 0.00 C ATOM 107 C ALA A 11 -3.294 3.642 3.158 1.00 0.00 C ATOM 108 O ALA A 11 -4.466 3.961 2.963 1.00 0.00 O ATOM 109 CB ALA A 11 -2.162 3.913 5.419 1.00 0.00 C ATOM 0 H ALA A 11 -3.024 6.187 5.117 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.414 4.571 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.722 2.921 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.488 4.554 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.116 3.836 5.940 1.00 0.00 H new ATOM 115 N PRO A 12 -2.702 2.531 2.643 1.00 0.00 N ATOM 116 CA PRO A 12 -3.443 1.612 1.797 1.00 0.00 C ATOM 117 C PRO A 12 -4.405 0.758 2.625 1.00 0.00 C ATOM 118 O PRO A 12 -4.196 0.566 3.822 1.00 0.00 O ATOM 119 CB PRO A 12 -2.382 0.790 1.084 1.00 0.00 C ATOM 120 CG PRO A 12 -1.109 0.958 1.897 1.00 0.00 C ATOM 121 CD PRO A 12 -1.316 2.122 2.852 1.00 0.00 C ATOM 0 HA PRO A 12 -4.080 2.125 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.673 -0.259 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.241 1.138 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.886 0.046 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.260 1.149 1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.143 1.822 3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.626 2.938 2.637 1.00 0.00 H new ATOM 129 N GLN A 13 -5.438 0.268 1.956 1.00 0.00 N ATOM 130 CA GLN A 13 -6.432 -0.561 2.616 1.00 0.00 C ATOM 131 C GLN A 13 -6.929 -1.652 1.665 1.00 0.00 C ATOM 132 O GLN A 13 -6.683 -1.591 0.462 1.00 0.00 O ATOM 133 CB GLN A 13 -7.596 0.286 3.134 1.00 0.00 C ATOM 134 CG GLN A 13 -7.912 1.432 2.170 1.00 0.00 C ATOM 135 CD GLN A 13 -9.370 1.876 2.304 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.176 1.254 2.978 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.663 2.982 1.627 1.00 0.00 N ATOM 0 H GLN A 13 -5.608 0.429 0.963 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.964 -1.041 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.478 -0.341 3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.348 0.690 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.251 2.275 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.718 1.114 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.940 3.453 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.610 3.359 1.652 1.00 0.00 H new ATOM 146 N HIS A 14 -7.618 -2.626 2.242 1.00 0.00 N ATOM 147 CA HIS A 14 -8.151 -3.729 1.461 1.00 0.00 C ATOM 148 C HIS A 14 -6.999 -4.559 0.892 1.00 0.00 C ATOM 149 O HIS A 14 -7.138 -5.184 -0.158 1.00 0.00 O ATOM 150 CB HIS A 14 -9.104 -3.218 0.379 1.00 0.00 C ATOM 151 CG HIS A 14 -10.414 -2.690 0.914 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.541 -3.481 1.051 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.763 -1.444 1.344 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.519 -2.734 1.542 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.035 -1.472 1.722 1.00 0.00 N ATOM 0 H HIS A 14 -7.819 -2.674 3.241 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.741 -4.382 2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.608 -2.427 -0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.309 -4.027 -0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.114 -0.581 1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.523 -3.066 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.564 -0.680 2.087 1.00 0.00 H new ATOM 163 N LEU A 15 -5.885 -4.538 1.611 1.00 0.00 N ATOM 164 CA LEU A 15 -4.709 -5.281 1.191 1.00 0.00 C ATOM 165 C LEU A 15 -4.817 -6.723 1.690 1.00 0.00 C ATOM 166 O LEU A 15 -4.759 -6.973 2.893 1.00 0.00 O ATOM 167 CB LEU A 15 -3.435 -4.567 1.644 1.00 0.00 C ATOM 168 CG LEU A 15 -2.115 -5.233 1.249 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.767 -4.936 -0.211 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.989 -4.828 2.201 1.00 0.00 C ATOM 0 H LEU A 15 -5.773 -4.018 2.481 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.653 -5.324 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.445 -3.556 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.461 -4.474 2.730 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.237 -6.312 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.825 -5.421 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.558 -5.316 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.671 -3.859 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.063 -5.316 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.857 -3.746 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.243 -5.133 3.216 1.00 0.00 H new ATOM 182 N THR A 16 -4.972 -7.634 0.741 1.00 0.00 N ATOM 183 CA THR A 16 -5.088 -9.045 1.070 1.00 0.00 C ATOM 184 C THR A 16 -4.426 -9.901 -0.012 1.00 0.00 C ATOM 185 O THR A 16 -4.106 -9.405 -1.091 1.00 0.00 O ATOM 186 CB THR A 16 -6.571 -9.362 1.272 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.234 -8.564 0.295 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.105 -8.838 2.607 1.00 0.00 C ATOM 0 H THR A 16 -5.020 -7.423 -0.256 1.00 0.00 H new ATOM 0 HA THR A 16 -4.561 -9.281 1.995 1.00 0.00 H new ATOM 0 HB THR A 16 -6.722 -10.440 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.201 -8.710 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.161 -9.089 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.550 -9.295 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.985 -7.755 2.647 1.00 0.00 H new ATOM 196 N VAL A 17 -4.239 -11.171 0.316 1.00 0.00 N ATOM 197 CA VAL A 17 -3.620 -12.100 -0.614 1.00 0.00 C ATOM 198 C VAL A 17 -4.707 -12.772 -1.456 1.00 0.00 C ATOM 199 O VAL A 17 -5.478 -13.584 -0.947 1.00 0.00 O ATOM 200 CB VAL A 17 -2.750 -13.102 0.148 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.322 -14.257 -0.758 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.534 -12.411 0.768 1.00 0.00 C ATOM 0 H VAL A 17 -4.505 -11.578 1.212 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.958 -11.570 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.349 -13.517 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.705 -14.954 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.206 -14.775 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.749 -13.867 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.932 -13.145 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.934 -11.955 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.868 -11.640 1.462 1.00 0.00 H new ATOM 212 N GLU A 18 -4.734 -12.408 -2.729 1.00 0.00 N ATOM 213 CA GLU A 18 -5.713 -12.965 -3.647 1.00 0.00 C ATOM 214 C GLU A 18 -5.355 -14.413 -3.991 1.00 0.00 C ATOM 215 O GLU A 18 -6.220 -15.288 -3.987 1.00 0.00 O ATOM 216 CB GLU A 18 -5.826 -12.113 -4.912 1.00 0.00 C ATOM 217 CG GLU A 18 -6.477 -10.763 -4.607 1.00 0.00 C ATOM 218 CD GLU A 18 -7.862 -10.949 -3.984 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.740 -11.476 -4.700 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.010 -10.561 -2.805 1.00 0.00 O ATOM 0 H GLU A 18 -4.093 -11.734 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.686 -12.959 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.835 -11.955 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.414 -12.644 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.842 -10.195 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.563 -10.181 -5.525 1.00 0.00 H new ATOM 227 N ASP A 19 -4.079 -14.620 -4.279 1.00 0.00 N ATOM 228 CA ASP A 19 -3.596 -15.947 -4.625 1.00 0.00 C ATOM 229 C ASP A 19 -2.175 -16.124 -4.084 1.00 0.00 C ATOM 230 O ASP A 19 -1.532 -15.153 -3.690 1.00 0.00 O ATOM 231 CB ASP A 19 -3.552 -16.139 -6.142 1.00 0.00 C ATOM 232 CG ASP A 19 -3.402 -17.589 -6.606 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.187 -18.427 -6.112 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.506 -17.827 -7.444 1.00 0.00 O ATOM 0 H ASP A 19 -3.365 -13.892 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.277 -16.678 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.466 -15.728 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.722 -15.557 -6.543 1.00 0.00 H new ATOM 239 N VAL A 20 -1.728 -17.371 -4.083 1.00 0.00 N ATOM 240 CA VAL A 20 -0.396 -17.688 -3.598 1.00 0.00 C ATOM 241 C VAL A 20 0.199 -18.810 -4.451 1.00 0.00 C ATOM 242 O VAL A 20 -0.422 -19.857 -4.628 1.00 0.00 O ATOM 243 CB VAL A 20 -0.451 -18.035 -2.108 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.873 -18.641 -1.638 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.820 -16.808 -1.273 1.00 0.00 C ATOM 0 H VAL A 20 -2.265 -18.174 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 20 0.261 -16.824 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.231 -18.783 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.808 -18.879 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.077 -19.551 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.679 -17.925 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.852 -17.082 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.073 -16.028 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.798 -16.438 -1.582 1.00 0.00 H new ATOM 255 N THR A 21 1.397 -18.553 -4.957 1.00 0.00 N ATOM 256 CA THR A 21 2.083 -19.528 -5.788 1.00 0.00 C ATOM 257 C THR A 21 3.174 -20.239 -4.984 1.00 0.00 C ATOM 258 O THR A 21 3.124 -20.271 -3.756 1.00 0.00 O ATOM 259 CB THR A 21 2.615 -18.803 -7.026 1.00 0.00 C ATOM 260 OG1 THR A 21 1.719 -17.708 -7.199 1.00 0.00 O ATOM 261 CG2 THR A 21 2.446 -19.628 -8.304 1.00 0.00 C ATOM 0 H THR A 21 1.910 -17.684 -4.807 1.00 0.00 H new ATOM 0 HA THR A 21 1.404 -20.313 -6.121 1.00 0.00 H new ATOM 0 HB THR A 21 3.669 -18.566 -6.883 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.960 -16.988 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.839 -19.069 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.990 -20.567 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.388 -19.836 -8.465 1.00 0.00 H new ATOM 269 N ASP A 22 4.135 -20.791 -5.711 1.00 0.00 N ATOM 270 CA ASP A 22 5.236 -21.499 -5.082 1.00 0.00 C ATOM 271 C ASP A 22 6.395 -20.528 -4.850 1.00 0.00 C ATOM 272 O ASP A 22 7.095 -20.620 -3.843 1.00 0.00 O ATOM 273 CB ASP A 22 5.742 -22.635 -5.974 1.00 0.00 C ATOM 274 CG ASP A 22 4.649 -23.423 -6.699 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.150 -22.896 -7.717 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.338 -24.535 -6.220 1.00 0.00 O ATOM 0 H ASP A 22 4.173 -20.762 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 22 4.876 -21.913 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.422 -22.218 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.322 -23.326 -5.363 1.00 0.00 H new ATOM 281 N THR A 23 6.563 -19.619 -5.799 1.00 0.00 N ATOM 282 CA THR A 23 7.625 -18.632 -5.711 1.00 0.00 C ATOM 283 C THR A 23 7.098 -17.246 -6.090 1.00 0.00 C ATOM 284 O THR A 23 7.877 -16.343 -6.392 1.00 0.00 O ATOM 285 CB THR A 23 8.783 -19.103 -6.593 1.00 0.00 C ATOM 286 OG1 THR A 23 8.143 -19.678 -7.729 1.00 0.00 O ATOM 287 CG2 THR A 23 9.555 -20.269 -5.972 1.00 0.00 C ATOM 0 H THR A 23 5.981 -19.545 -6.633 1.00 0.00 H new ATOM 0 HA THR A 23 7.993 -18.538 -4.689 1.00 0.00 H new ATOM 0 HB THR A 23 9.464 -18.271 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.821 -20.008 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.366 -20.564 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.968 -19.961 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.882 -21.113 -5.823 1.00 0.00 H new ATOM 295 N THR A 24 5.779 -17.122 -6.061 1.00 0.00 N ATOM 296 CA THR A 24 5.139 -15.861 -6.397 1.00 0.00 C ATOM 297 C THR A 24 3.821 -15.712 -5.635 1.00 0.00 C ATOM 298 O THR A 24 3.124 -16.697 -5.394 1.00 0.00 O ATOM 299 CB THR A 24 4.971 -15.807 -7.917 1.00 0.00 C ATOM 300 OG1 THR A 24 4.667 -17.151 -8.281 1.00 0.00 O ATOM 301 CG2 THR A 24 6.287 -15.514 -8.641 1.00 0.00 C ATOM 0 H THR A 24 5.136 -17.873 -5.810 1.00 0.00 H new ATOM 0 HA THR A 24 5.752 -15.013 -6.092 1.00 0.00 H new ATOM 0 HB THR A 24 4.237 -15.043 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.540 -17.207 -9.251 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.112 -15.487 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.677 -14.551 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.011 -16.296 -8.411 1.00 0.00 H new ATOM 309 N THR A 25 3.519 -14.473 -5.275 1.00 0.00 N ATOM 310 CA THR A 25 2.297 -14.183 -4.545 1.00 0.00 C ATOM 311 C THR A 25 1.556 -13.010 -5.190 1.00 0.00 C ATOM 312 O THR A 25 2.138 -12.257 -5.970 1.00 0.00 O ATOM 313 CB THR A 25 2.669 -13.936 -3.081 1.00 0.00 C ATOM 314 OG1 THR A 25 3.053 -15.220 -2.599 1.00 0.00 O ATOM 315 CG2 THR A 25 1.457 -13.563 -2.225 1.00 0.00 C ATOM 0 H THR A 25 4.100 -13.659 -5.475 1.00 0.00 H new ATOM 0 HA THR A 25 1.604 -15.024 -4.582 1.00 0.00 H new ATOM 0 HB THR A 25 3.412 -13.141 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.003 -15.230 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.775 -13.398 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.003 -12.652 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.728 -14.373 -2.254 1.00 0.00 H new ATOM 323 N THR A 26 0.284 -12.892 -4.841 1.00 0.00 N ATOM 324 CA THR A 26 -0.543 -11.823 -5.376 1.00 0.00 C ATOM 325 C THR A 26 -1.111 -10.969 -4.242 1.00 0.00 C ATOM 326 O THR A 26 -1.513 -11.495 -3.205 1.00 0.00 O ATOM 327 CB THR A 26 -1.621 -12.457 -6.258 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.885 -13.156 -7.258 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.421 -11.415 -7.044 1.00 0.00 C ATOM 0 H THR A 26 -0.195 -13.519 -4.194 1.00 0.00 H new ATOM 0 HA THR A 26 0.042 -11.140 -5.992 1.00 0.00 H new ATOM 0 HB THR A 26 -2.299 -13.044 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.507 -13.599 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.172 -11.917 -7.654 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.913 -10.734 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.748 -10.851 -7.690 1.00 0.00 H new ATOM 337 N LEU A 27 -1.126 -9.665 -4.477 1.00 0.00 N ATOM 338 CA LEU A 27 -1.639 -8.732 -3.487 1.00 0.00 C ATOM 339 C LEU A 27 -2.605 -7.758 -4.163 1.00 0.00 C ATOM 340 O LEU A 27 -2.369 -7.326 -5.291 1.00 0.00 O ATOM 341 CB LEU A 27 -0.486 -8.045 -2.752 1.00 0.00 C ATOM 342 CG LEU A 27 0.442 -8.962 -1.953 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.793 -8.291 -1.701 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.224 -9.417 -0.652 1.00 0.00 C ATOM 0 H LEU A 27 -0.791 -9.232 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.205 -9.262 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.113 -7.503 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.905 -7.304 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 27 0.633 -9.856 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.433 -8.965 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.268 -8.059 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.642 -7.370 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.457 -10.068 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.464 -8.546 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.139 -9.962 -0.883 1.00 0.00 H new ATOM 356 N LYS A 28 -3.673 -7.440 -3.446 1.00 0.00 N ATOM 357 CA LYS A 28 -4.676 -6.524 -3.962 1.00 0.00 C ATOM 358 C LYS A 28 -5.109 -5.568 -2.849 1.00 0.00 C ATOM 359 O LYS A 28 -5.612 -6.003 -1.814 1.00 0.00 O ATOM 360 CB LYS A 28 -5.834 -7.299 -4.593 1.00 0.00 C ATOM 361 CG LYS A 28 -6.163 -6.757 -5.986 1.00 0.00 C ATOM 362 CD LYS A 28 -5.226 -7.349 -7.040 1.00 0.00 C ATOM 363 CE LYS A 28 -6.020 -8.010 -8.169 1.00 0.00 C ATOM 364 NZ LYS A 28 -5.282 -9.173 -8.710 1.00 0.00 N ATOM 0 H LYS A 28 -3.866 -7.801 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.258 -5.913 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.574 -8.355 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.714 -7.228 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.196 -6.995 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.077 -5.670 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.590 -6.564 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.567 -8.083 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.993 -8.330 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.204 -7.287 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.835 -9.610 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.363 -8.858 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.128 -9.869 -7.953 1.00 0.00 H new ATOM 378 N TRP A 29 -4.898 -4.285 -3.099 1.00 0.00 N ATOM 379 CA TRP A 29 -5.261 -3.264 -2.131 1.00 0.00 C ATOM 380 C TRP A 29 -6.179 -2.257 -2.827 1.00 0.00 C ATOM 381 O TRP A 29 -6.524 -2.430 -3.995 1.00 0.00 O ATOM 382 CB TRP A 29 -4.014 -2.616 -1.525 1.00 0.00 C ATOM 383 CG TRP A 29 -3.227 -1.743 -2.504 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.532 -0.514 -2.942 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.985 -2.085 -3.153 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.581 -0.040 -3.823 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.610 -1.026 -3.955 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.203 -3.250 -3.065 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.444 -1.027 -4.730 1.00 0.00 C ATOM 390 CZ3 TRP A 29 -0.041 -3.235 -3.847 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.350 -2.177 -4.659 1.00 0.00 C ATOM 0 H TRP A 29 -4.480 -3.928 -3.958 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.799 -3.703 -1.291 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.312 -2.008 -0.671 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.358 -3.400 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.412 0.037 -2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.589 0.866 -4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.477 -4.090 -2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.172 -0.185 -5.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.596 -4.107 -3.817 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.263 -2.242 -5.233 1.00 0.00 H new ATOM 402 N ARG A 30 -6.550 -1.228 -2.080 1.00 0.00 N ATOM 403 CA ARG A 30 -7.421 -0.193 -2.610 1.00 0.00 C ATOM 404 C ARG A 30 -6.761 1.180 -2.473 1.00 0.00 C ATOM 405 O ARG A 30 -5.900 1.376 -1.617 1.00 0.00 O ATOM 406 CB ARG A 30 -8.766 -0.179 -1.881 1.00 0.00 C ATOM 407 CG ARG A 30 -9.715 -1.231 -2.460 1.00 0.00 C ATOM 408 CD ARG A 30 -11.119 -0.655 -2.656 1.00 0.00 C ATOM 409 NE ARG A 30 -11.572 -0.888 -4.045 1.00 0.00 N ATOM 410 CZ ARG A 30 -12.858 -0.912 -4.422 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.825 -0.718 -3.516 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.176 -1.130 -5.705 1.00 0.00 N ATOM 0 H ARG A 30 -6.263 -1.089 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.593 -0.413 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.610 -0.370 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.218 0.809 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.328 -1.589 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.761 -2.091 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.813 -1.120 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.116 0.413 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.861 -1.040 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.583 -0.552 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.804 -0.736 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.439 -1.278 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.155 -1.148 -5.992 1.00 0.00 H new ATOM 426 N PRO A 31 -7.200 2.120 -3.352 1.00 0.00 N ATOM 427 CA PRO A 31 -6.661 3.469 -3.337 1.00 0.00 C ATOM 428 C PRO A 31 -7.213 4.267 -2.155 1.00 0.00 C ATOM 429 O PRO A 31 -8.295 3.969 -1.651 1.00 0.00 O ATOM 430 CB PRO A 31 -7.043 4.060 -4.684 1.00 0.00 C ATOM 431 CG PRO A 31 -8.174 3.194 -5.214 1.00 0.00 C ATOM 432 CD PRO A 31 -8.218 1.924 -4.380 1.00 0.00 C ATOM 0 HA PRO A 31 -5.580 3.489 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.362 5.097 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.194 4.055 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.124 3.725 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.012 2.955 -6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.203 1.774 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.004 1.044 -4.987 1.00 0.00 H new ATOM 440 N PRO A 32 -6.424 5.293 -1.735 1.00 0.00 N ATOM 441 CA PRO A 32 -6.823 6.136 -0.622 1.00 0.00 C ATOM 442 C PRO A 32 -7.927 7.110 -1.039 1.00 0.00 C ATOM 443 O PRO A 32 -8.269 7.199 -2.217 1.00 0.00 O ATOM 444 CB PRO A 32 -5.548 6.837 -0.182 1.00 0.00 C ATOM 445 CG PRO A 32 -4.583 6.718 -1.351 1.00 0.00 C ATOM 446 CD PRO A 32 -5.137 5.675 -2.308 1.00 0.00 C ATOM 0 HA PRO A 32 -7.254 5.567 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.741 7.882 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.136 6.372 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.473 7.678 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.593 6.427 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.256 6.082 -3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.469 4.817 -2.389 1.00 0.00 H new ATOM 454 N ASP A 33 -8.454 7.816 -0.050 1.00 0.00 N ATOM 455 CA ASP A 33 -9.512 8.780 -0.300 1.00 0.00 C ATOM 456 C ASP A 33 -8.953 10.196 -0.148 1.00 0.00 C ATOM 457 O ASP A 33 -9.534 11.155 -0.655 1.00 0.00 O ATOM 458 CB ASP A 33 -10.656 8.614 0.703 1.00 0.00 C ATOM 459 CG ASP A 33 -11.696 7.556 0.329 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.459 7.822 -0.625 1.00 0.00 O ATOM 461 OD2 ASP A 33 -11.704 6.504 1.004 1.00 0.00 O ATOM 0 H ASP A 33 -8.168 7.740 0.926 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.889 8.613 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.233 8.358 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.161 9.573 0.818 1.00 0.00 H new ATOM 466 N ARG A 34 -7.831 10.283 0.551 1.00 0.00 N ATOM 467 CA ARG A 34 -7.186 11.565 0.775 1.00 0.00 C ATOM 468 C ARG A 34 -5.815 11.597 0.096 1.00 0.00 C ATOM 469 O ARG A 34 -4.785 11.544 0.766 1.00 0.00 O ATOM 470 CB ARG A 34 -7.013 11.841 2.270 1.00 0.00 C ATOM 471 CG ARG A 34 -8.072 12.825 2.772 1.00 0.00 C ATOM 472 CD ARG A 34 -9.372 12.100 3.124 1.00 0.00 C ATOM 473 NE ARG A 34 -9.681 12.281 4.559 1.00 0.00 N ATOM 474 CZ ARG A 34 -10.809 11.856 5.145 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.741 11.221 4.421 1.00 0.00 N ATOM 476 NH2 ARG A 34 -11.004 12.065 6.454 1.00 0.00 N ATOM 0 H ARG A 34 -7.352 9.486 0.970 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.826 12.336 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.086 10.907 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.018 12.246 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.697 13.352 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.266 13.577 2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.190 12.487 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.279 11.038 2.895 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.992 12.760 5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.592 11.061 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.600 10.897 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.294 12.548 7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.863 11.742 6.900 1.00 0.00 H new ATOM 559 N ASP A 41 2.235 8.871 -6.426 1.00 0.00 N ATOM 560 CA ASP A 41 3.151 8.273 -7.382 1.00 0.00 C ATOM 561 C ASP A 41 2.813 6.790 -7.547 1.00 0.00 C ATOM 562 O ASP A 41 2.797 6.273 -8.663 1.00 0.00 O ATOM 563 CB ASP A 41 4.599 8.376 -6.897 1.00 0.00 C ATOM 564 CG ASP A 41 5.652 8.394 -8.006 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.304 7.964 -9.127 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.782 8.838 -7.708 1.00 0.00 O ATOM 0 HA ASP A 41 3.048 8.807 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.704 9.284 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.805 7.535 -6.234 1.00 0.00 H new ATOM 571 N GLY A 42 2.550 6.147 -6.418 1.00 0.00 N ATOM 572 CA GLY A 42 2.212 4.734 -6.424 1.00 0.00 C ATOM 573 C GLY A 42 2.326 4.138 -5.019 1.00 0.00 C ATOM 574 O GLY A 42 2.096 4.828 -4.027 1.00 0.00 O ATOM 0 H GLY A 42 2.564 6.579 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.197 4.601 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.876 4.200 -7.104 1.00 0.00 H new ATOM 578 N TYR A 43 2.680 2.862 -4.979 1.00 0.00 N ATOM 579 CA TYR A 43 2.827 2.165 -3.712 1.00 0.00 C ATOM 580 C TYR A 43 4.079 1.286 -3.712 1.00 0.00 C ATOM 581 O TYR A 43 4.391 0.644 -4.714 1.00 0.00 O ATOM 582 CB TYR A 43 1.591 1.273 -3.576 1.00 0.00 C ATOM 583 CG TYR A 43 0.388 1.969 -2.939 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.337 2.144 -1.570 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.647 2.423 -3.731 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.796 2.800 -0.970 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.780 3.078 -3.131 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.799 3.234 -1.780 1.00 0.00 C ATOM 589 OH TYR A 43 -2.869 3.854 -1.213 1.00 0.00 O ATOM 0 H TYR A 43 2.869 2.292 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 43 2.922 2.876 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.307 0.911 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.850 0.399 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.147 1.789 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.607 2.287 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.848 2.944 0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.596 3.437 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.584 4.317 -0.398 1.00 0.00 H new ATOM 599 N LEU A 44 4.762 1.285 -2.577 1.00 0.00 N ATOM 600 CA LEU A 44 5.973 0.495 -2.433 1.00 0.00 C ATOM 601 C LEU A 44 5.638 -0.820 -1.726 1.00 0.00 C ATOM 602 O LEU A 44 4.983 -0.820 -0.686 1.00 0.00 O ATOM 603 CB LEU A 44 7.064 1.309 -1.733 1.00 0.00 C ATOM 604 CG LEU A 44 8.136 1.913 -2.641 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.218 2.616 -1.819 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.725 0.854 -3.575 1.00 0.00 C ATOM 0 H LEU A 44 4.500 1.819 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 44 6.378 0.237 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.587 2.118 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.555 0.668 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 44 7.665 2.669 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.968 3.037 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.767 3.416 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.691 1.897 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.485 1.311 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.177 0.058 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.934 0.438 -4.198 1.00 0.00 H new ATOM 618 N VAL A 45 6.104 -1.909 -2.320 1.00 0.00 N ATOM 619 CA VAL A 45 5.862 -3.228 -1.761 1.00 0.00 C ATOM 620 C VAL A 45 7.172 -3.790 -1.205 1.00 0.00 C ATOM 621 O VAL A 45 8.235 -3.590 -1.791 1.00 0.00 O ATOM 622 CB VAL A 45 5.223 -4.134 -2.815 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.760 -5.454 -2.195 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.066 -3.424 -3.520 1.00 0.00 C ATOM 0 H VAL A 45 6.648 -1.905 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 45 5.156 -3.168 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 45 5.981 -4.363 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.309 -6.080 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.615 -5.972 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.025 -5.252 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.630 -4.090 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.306 -3.151 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.436 -2.524 -4.011 1.00 0.00 H new ATOM 634 N GLU A 46 7.053 -4.480 -0.081 1.00 0.00 N ATOM 635 CA GLU A 46 8.214 -5.072 0.561 1.00 0.00 C ATOM 636 C GLU A 46 7.787 -6.221 1.477 1.00 0.00 C ATOM 637 O GLU A 46 6.663 -6.235 1.978 1.00 0.00 O ATOM 638 CB GLU A 46 9.009 -4.019 1.336 1.00 0.00 C ATOM 639 CG GLU A 46 8.113 -3.282 2.334 1.00 0.00 C ATOM 640 CD GLU A 46 7.724 -1.900 1.805 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.631 -1.042 1.737 1.00 0.00 O ATOM 642 OE2 GLU A 46 6.529 -1.732 1.479 1.00 0.00 O ATOM 0 H GLU A 46 6.170 -4.643 0.402 1.00 0.00 H new ATOM 0 HA GLU A 46 8.867 -5.475 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.833 -4.497 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.449 -3.305 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.214 -3.869 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.633 -3.178 3.287 1.00 0.00 H new ATOM 649 N TYR A 47 8.706 -7.155 1.670 1.00 0.00 N ATOM 650 CA TYR A 47 8.439 -8.305 2.517 1.00 0.00 C ATOM 651 C TYR A 47 9.557 -8.502 3.542 1.00 0.00 C ATOM 652 O TYR A 47 10.725 -8.254 3.247 1.00 0.00 O ATOM 653 CB TYR A 47 8.399 -9.516 1.584 1.00 0.00 C ATOM 654 CG TYR A 47 9.691 -9.736 0.793 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.978 -8.938 -0.295 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.569 -10.732 1.170 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.193 -9.145 -1.039 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.784 -10.939 0.426 1.00 0.00 C ATOM 659 CZ TYR A 47 12.037 -10.135 -0.642 1.00 0.00 C ATOM 660 OH TYR A 47 13.185 -10.330 -1.344 1.00 0.00 O ATOM 0 H TYR A 47 9.637 -7.139 1.254 1.00 0.00 H new ATOM 0 HA TYR A 47 7.507 -8.169 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.189 -10.409 2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.573 -9.395 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.291 -8.158 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.345 -11.356 2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.429 -8.528 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.479 -11.715 0.709 1.00 0.00 H new ATOM 0 HH TYR A 47 13.690 -11.069 -0.946 1.00 0.00 H new ATOM 670 N CYS A 48 9.160 -8.948 4.725 1.00 0.00 N ATOM 671 CA CYS A 48 10.115 -9.182 5.796 1.00 0.00 C ATOM 672 C CYS A 48 9.984 -10.638 6.246 1.00 0.00 C ATOM 673 O CYS A 48 8.974 -11.021 6.835 1.00 0.00 O ATOM 674 CB CYS A 48 9.914 -8.205 6.956 1.00 0.00 C ATOM 675 SG CYS A 48 10.862 -8.766 8.417 1.00 0.00 S ATOM 0 H CYS A 48 8.190 -9.154 4.966 1.00 0.00 H new ATOM 0 HA CYS A 48 11.127 -9.006 5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.239 -7.207 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.855 -8.135 7.204 1.00 0.00 H new ATOM 0 HG CYS A 48 10.686 -7.929 9.396 1.00 0.00 H new ATOM 681 N LEU A 49 11.020 -11.410 5.953 1.00 0.00 N ATOM 682 CA LEU A 49 11.033 -12.816 6.320 1.00 0.00 C ATOM 683 C LEU A 49 10.893 -12.943 7.839 1.00 0.00 C ATOM 684 O LEU A 49 11.481 -12.163 8.587 1.00 0.00 O ATOM 685 CB LEU A 49 12.278 -13.505 5.757 1.00 0.00 C ATOM 686 CG LEU A 49 12.331 -13.654 4.236 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.650 -13.114 3.678 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.083 -15.105 3.818 1.00 0.00 C ATOM 0 H LEU A 49 11.856 -11.089 5.466 1.00 0.00 H new ATOM 0 HA LEU A 49 10.183 -13.334 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.156 -12.944 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.353 -14.497 6.202 1.00 0.00 H new ATOM 0 HG LEU A 49 11.529 -13.054 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.662 -13.232 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.746 -12.058 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.483 -13.667 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.126 -15.183 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.847 -15.746 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.099 -15.421 4.166 1.00 0.00 H new ATOM 700 N GLU A 50 10.112 -13.931 8.248 1.00 0.00 N ATOM 701 CA GLU A 50 9.888 -14.170 9.664 1.00 0.00 C ATOM 702 C GLU A 50 11.223 -14.294 10.400 1.00 0.00 C ATOM 703 O GLU A 50 12.071 -15.102 10.023 1.00 0.00 O ATOM 704 CB GLU A 50 9.025 -15.415 9.880 1.00 0.00 C ATOM 705 CG GLU A 50 8.977 -15.799 11.360 1.00 0.00 C ATOM 706 CD GLU A 50 8.312 -17.163 11.552 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.812 -18.129 10.935 1.00 0.00 O ATOM 708 OE2 GLU A 50 7.320 -17.210 12.310 1.00 0.00 O ATOM 0 H GLU A 50 9.626 -14.576 7.624 1.00 0.00 H new ATOM 0 HA GLU A 50 9.347 -13.317 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.015 -15.229 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.426 -16.245 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.988 -15.823 11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.428 -15.041 11.918 1.00 0.00 H new ATOM 715 N GLY A 51 11.370 -13.481 11.435 1.00 0.00 N ATOM 716 CA GLY A 51 12.588 -13.489 12.227 1.00 0.00 C ATOM 717 C GLY A 51 13.511 -12.337 11.825 1.00 0.00 C ATOM 718 O GLY A 51 14.296 -11.852 12.639 1.00 0.00 O ATOM 0 H GLY A 51 10.665 -12.812 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.339 -13.408 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.106 -14.439 12.094 1.00 0.00 H new ATOM 722 N SER A 52 13.386 -11.931 10.570 1.00 0.00 N ATOM 723 CA SER A 52 14.199 -10.845 10.050 1.00 0.00 C ATOM 724 C SER A 52 13.601 -9.499 10.464 1.00 0.00 C ATOM 725 O SER A 52 12.402 -9.402 10.723 1.00 0.00 O ATOM 726 CB SER A 52 14.319 -10.927 8.527 1.00 0.00 C ATOM 727 OG SER A 52 14.878 -9.740 7.971 1.00 0.00 O ATOM 0 H SER A 52 12.734 -12.335 9.898 1.00 0.00 H new ATOM 0 HA SER A 52 15.200 -10.935 10.471 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.940 -11.781 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.334 -11.101 8.095 1.00 0.00 H new ATOM 0 HG SER A 52 15.707 -9.960 7.496 1.00 0.00 H new ATOM 733 N GLU A 53 14.463 -8.494 10.512 1.00 0.00 N ATOM 734 CA GLU A 53 14.035 -7.158 10.890 1.00 0.00 C ATOM 735 C GLU A 53 14.190 -6.198 9.709 1.00 0.00 C ATOM 736 O GLU A 53 13.776 -5.042 9.786 1.00 0.00 O ATOM 737 CB GLU A 53 14.811 -6.657 12.109 1.00 0.00 C ATOM 738 CG GLU A 53 14.013 -5.597 12.870 1.00 0.00 C ATOM 739 CD GLU A 53 14.658 -5.290 14.223 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.661 -4.544 14.216 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.135 -5.808 15.232 1.00 0.00 O ATOM 0 H GLU A 53 15.456 -8.578 10.295 1.00 0.00 H new ATOM 0 HA GLU A 53 12.981 -7.200 11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.035 -7.494 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.766 -6.239 11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.955 -4.685 12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.991 -5.945 13.021 1.00 0.00 H new ATOM 748 N GLU A 54 14.786 -6.712 8.644 1.00 0.00 N ATOM 749 CA GLU A 54 15.001 -5.914 7.448 1.00 0.00 C ATOM 750 C GLU A 54 13.910 -6.202 6.415 1.00 0.00 C ATOM 751 O GLU A 54 13.705 -7.351 6.027 1.00 0.00 O ATOM 752 CB GLU A 54 16.391 -6.167 6.862 1.00 0.00 C ATOM 753 CG GLU A 54 16.370 -7.349 5.891 1.00 0.00 C ATOM 754 CD GLU A 54 17.783 -7.883 5.646 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.442 -7.344 4.731 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.172 -8.818 6.380 1.00 0.00 O ATOM 0 H GLU A 54 15.127 -7.671 8.584 1.00 0.00 H new ATOM 0 HA GLU A 54 14.945 -4.861 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.740 -5.273 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.098 -6.366 7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.742 -8.144 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.925 -7.039 4.945 1.00 0.00 H new ATOM 763 N TRP A 55 13.238 -5.138 5.999 1.00 0.00 N ATOM 764 CA TRP A 55 12.173 -5.262 5.019 1.00 0.00 C ATOM 765 C TRP A 55 12.788 -5.090 3.628 1.00 0.00 C ATOM 766 O TRP A 55 13.293 -4.018 3.298 1.00 0.00 O ATOM 767 CB TRP A 55 11.047 -4.265 5.302 1.00 0.00 C ATOM 768 CG TRP A 55 10.156 -4.652 6.485 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.408 -4.500 7.792 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.852 -5.266 6.414 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.366 -4.969 8.566 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.390 -5.449 7.701 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.089 -5.654 5.299 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.147 -6.025 7.995 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.850 -6.227 5.609 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.370 -6.419 6.899 1.00 0.00 C ATOM 0 H TRP A 55 13.411 -4.186 6.323 1.00 0.00 H new ATOM 0 HA TRP A 55 11.710 -6.247 5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.483 -3.285 5.494 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.428 -4.169 4.410 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.313 -4.065 8.190 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.321 -4.964 9.585 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.432 -5.521 4.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.807 -6.158 9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.223 -6.542 4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.401 -6.870 7.055 1.00 0.00 H new ATOM 787 N VAL A 56 12.725 -6.161 2.851 1.00 0.00 N ATOM 788 CA VAL A 56 13.269 -6.142 1.504 1.00 0.00 C ATOM 789 C VAL A 56 12.208 -5.613 0.537 1.00 0.00 C ATOM 790 O VAL A 56 11.026 -5.926 0.676 1.00 0.00 O ATOM 791 CB VAL A 56 13.782 -7.533 1.127 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.360 -7.538 -0.290 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.814 -8.030 2.142 1.00 0.00 C ATOM 0 H VAL A 56 12.305 -7.048 3.129 1.00 0.00 H new ATOM 0 HA VAL A 56 14.124 -5.469 1.447 1.00 0.00 H new ATOM 0 HB VAL A 56 12.936 -8.220 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.718 -8.538 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.586 -7.247 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.189 -6.832 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 56 15.163 -9.021 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.659 -7.341 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.357 -8.082 3.130 1.00 0.00 H new ATOM 803 N PRO A 57 12.679 -4.801 -0.446 1.00 0.00 N ATOM 804 CA PRO A 57 11.784 -4.226 -1.436 1.00 0.00 C ATOM 805 C PRO A 57 11.354 -5.277 -2.462 1.00 0.00 C ATOM 806 O PRO A 57 12.190 -6.000 -3.003 1.00 0.00 O ATOM 807 CB PRO A 57 12.565 -3.078 -2.053 1.00 0.00 C ATOM 808 CG PRO A 57 14.025 -3.340 -1.720 1.00 0.00 C ATOM 809 CD PRO A 57 14.072 -4.409 -0.641 1.00 0.00 C ATOM 0 HA PRO A 57 10.851 -3.867 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.412 -3.037 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.238 -2.121 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.566 -3.669 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.507 -2.426 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.682 -5.257 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.507 -4.023 0.281 1.00 0.00 H new ATOM 817 N ALA A 58 10.052 -5.328 -2.699 1.00 0.00 N ATOM 818 CA ALA A 58 9.501 -6.278 -3.651 1.00 0.00 C ATOM 819 C ALA A 58 9.583 -5.688 -5.060 1.00 0.00 C ATOM 820 O ALA A 58 9.984 -6.371 -6.000 1.00 0.00 O ATOM 821 CB ALA A 58 8.068 -6.631 -3.249 1.00 0.00 C ATOM 0 H ALA A 58 9.362 -4.727 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 58 10.078 -7.203 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.655 -7.343 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.068 -7.074 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.458 -5.727 -3.244 1.00 0.00 H new ATOM 827 N ASN A 59 9.197 -4.424 -5.161 1.00 0.00 N ATOM 828 CA ASN A 59 9.222 -3.734 -6.439 1.00 0.00 C ATOM 829 C ASN A 59 10.127 -2.505 -6.333 1.00 0.00 C ATOM 830 O ASN A 59 9.781 -1.530 -5.668 1.00 0.00 O ATOM 831 CB ASN A 59 7.823 -3.258 -6.835 1.00 0.00 C ATOM 832 CG ASN A 59 7.167 -2.475 -5.696 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.358 -2.758 -4.524 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.386 -1.479 -6.103 1.00 0.00 N ATOM 0 H ASN A 59 8.865 -3.860 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 59 9.593 -4.431 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.887 -2.630 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.203 -4.116 -7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.903 -0.897 -5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.270 -1.297 -7.100 1.00 0.00 H new ATOM 841 N LYS A 60 11.270 -2.592 -6.999 1.00 0.00 N ATOM 842 CA LYS A 60 12.227 -1.500 -6.988 1.00 0.00 C ATOM 843 C LYS A 60 11.478 -0.169 -7.083 1.00 0.00 C ATOM 844 O LYS A 60 11.752 0.758 -6.322 1.00 0.00 O ATOM 845 CB LYS A 60 13.276 -1.695 -8.085 1.00 0.00 C ATOM 846 CG LYS A 60 14.256 -2.809 -7.714 1.00 0.00 C ATOM 847 CD LYS A 60 15.300 -3.010 -8.815 1.00 0.00 C ATOM 848 CE LYS A 60 16.653 -2.431 -8.399 1.00 0.00 C ATOM 849 NZ LYS A 60 16.591 -0.954 -8.347 1.00 0.00 N ATOM 0 H LYS A 60 11.554 -3.402 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 60 12.780 -1.488 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.783 -1.938 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.821 -0.764 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.754 -2.563 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.711 -3.739 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.406 -4.073 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.962 -2.530 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.938 -2.823 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.422 -2.744 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.531 -0.575 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.290 -0.586 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.908 -0.661 -7.619 1.00 0.00 H new ATOM 863 N GLU A 61 10.546 -0.118 -8.023 1.00 0.00 N ATOM 864 CA GLU A 61 9.755 1.084 -8.227 1.00 0.00 C ATOM 865 C GLU A 61 8.297 0.832 -7.837 1.00 0.00 C ATOM 866 O GLU A 61 7.841 -0.310 -7.827 1.00 0.00 O ATOM 867 CB GLU A 61 9.859 1.569 -9.675 1.00 0.00 C ATOM 868 CG GLU A 61 11.317 1.606 -10.137 1.00 0.00 C ATOM 869 CD GLU A 61 11.415 2.014 -11.609 1.00 0.00 C ATOM 870 OE1 GLU A 61 11.140 1.141 -12.460 1.00 0.00 O ATOM 871 OE2 GLU A 61 11.763 3.190 -11.849 1.00 0.00 O ATOM 0 H GLU A 61 10.321 -0.889 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 61 10.152 1.870 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.284 0.910 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.421 2.563 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.879 2.309 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.772 0.625 -9.996 1.00 0.00 H new ATOM 878 N PRO A 62 7.587 1.947 -7.516 1.00 0.00 N ATOM 879 CA PRO A 62 6.190 1.859 -7.126 1.00 0.00 C ATOM 880 C PRO A 62 5.297 1.597 -8.341 1.00 0.00 C ATOM 881 O PRO A 62 5.412 2.278 -9.359 1.00 0.00 O ATOM 882 CB PRO A 62 5.888 3.181 -6.441 1.00 0.00 C ATOM 883 CG PRO A 62 6.984 4.139 -6.882 1.00 0.00 C ATOM 884 CD PRO A 62 8.093 3.317 -7.517 1.00 0.00 C ATOM 0 HA PRO A 62 5.993 1.024 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.905 3.554 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.882 3.067 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.592 4.866 -7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.366 4.701 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.309 3.659 -8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.020 3.397 -6.949 1.00 0.00 H new ATOM 892 N VAL A 63 4.427 0.609 -8.194 1.00 0.00 N ATOM 893 CA VAL A 63 3.514 0.249 -9.266 1.00 0.00 C ATOM 894 C VAL A 63 2.527 1.395 -9.495 1.00 0.00 C ATOM 895 O VAL A 63 2.638 2.449 -8.871 1.00 0.00 O ATOM 896 CB VAL A 63 2.826 -1.078 -8.943 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.850 -2.206 -8.799 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.962 -0.957 -7.686 1.00 0.00 C ATOM 0 H VAL A 63 4.335 0.046 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 63 4.059 0.098 -10.198 1.00 0.00 H new ATOM 0 HB VAL A 63 2.170 -1.326 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.334 -3.138 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.403 -2.317 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.544 -1.967 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.484 -1.915 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.588 -0.674 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.197 -0.196 -7.842 1.00 0.00 H new ATOM 908 N GLU A 64 1.583 1.149 -10.392 1.00 0.00 N ATOM 909 CA GLU A 64 0.576 2.147 -10.711 1.00 0.00 C ATOM 910 C GLU A 64 -0.811 1.655 -10.292 1.00 0.00 C ATOM 911 O GLU A 64 -1.611 2.422 -9.759 1.00 0.00 O ATOM 912 CB GLU A 64 0.606 2.500 -12.200 1.00 0.00 C ATOM 913 CG GLU A 64 1.863 3.300 -12.548 1.00 0.00 C ATOM 914 CD GLU A 64 1.569 4.801 -12.569 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.968 5.275 -11.580 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.952 5.441 -13.572 1.00 0.00 O ATOM 0 H GLU A 64 1.494 0.273 -10.908 1.00 0.00 H new ATOM 0 HA GLU A 64 0.802 3.055 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.575 1.587 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.281 3.079 -12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.646 3.089 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.240 2.986 -13.521 1.00 0.00 H new ATOM 923 N ARG A 65 -1.053 0.378 -10.550 1.00 0.00 N ATOM 924 CA ARG A 65 -2.330 -0.225 -10.206 1.00 0.00 C ATOM 925 C ARG A 65 -2.364 -0.584 -8.719 1.00 0.00 C ATOM 926 O ARG A 65 -1.369 -0.420 -8.014 1.00 0.00 O ATOM 927 CB ARG A 65 -2.583 -1.487 -11.034 1.00 0.00 C ATOM 928 CG ARG A 65 -3.369 -1.160 -12.305 1.00 0.00 C ATOM 929 CD ARG A 65 -4.721 -1.877 -12.313 1.00 0.00 C ATOM 930 NE ARG A 65 -5.688 -1.124 -13.144 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.680 -1.115 -14.484 1.00 0.00 C ATOM 932 NH1 ARG A 65 -4.755 -1.817 -15.153 1.00 0.00 N ATOM 933 NH2 ARG A 65 -6.596 -0.404 -15.154 1.00 0.00 N ATOM 0 H ARG A 65 -0.387 -0.255 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.111 0.503 -10.425 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.632 -1.949 -11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.135 -2.213 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.524 -0.083 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.791 -1.456 -13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.604 -2.888 -12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.099 -1.970 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.405 -0.578 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.057 -2.358 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.749 -1.810 -16.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.300 0.131 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.590 -0.397 -16.174 1.00 0.00 H new ATOM 947 N CYS A 66 -3.519 -1.067 -8.286 1.00 0.00 N ATOM 948 CA CYS A 66 -3.696 -1.450 -6.895 1.00 0.00 C ATOM 949 C CYS A 66 -3.517 -2.965 -6.788 1.00 0.00 C ATOM 950 O CYS A 66 -4.417 -3.670 -6.334 1.00 0.00 O ATOM 951 CB CYS A 66 -5.052 -0.996 -6.352 1.00 0.00 C ATOM 952 SG CYS A 66 -6.400 -1.665 -7.394 1.00 0.00 S ATOM 0 H CYS A 66 -4.342 -1.202 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.947 -0.952 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.173 -1.336 -5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.100 0.093 -6.336 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.326 -2.963 -7.419 1.00 0.00 H new ATOM 958 N GLY A 67 -2.348 -3.422 -7.213 1.00 0.00 N ATOM 959 CA GLY A 67 -2.039 -4.841 -7.171 1.00 0.00 C ATOM 960 C GLY A 67 -0.632 -5.112 -7.709 1.00 0.00 C ATOM 961 O GLY A 67 -0.159 -4.410 -8.600 1.00 0.00 O ATOM 0 H GLY A 67 -1.603 -2.834 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.116 -5.203 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.770 -5.394 -7.761 1.00 0.00 H new ATOM 965 N PHE A 68 -0.004 -6.133 -7.144 1.00 0.00 N ATOM 966 CA PHE A 68 1.339 -6.506 -7.555 1.00 0.00 C ATOM 967 C PHE A 68 1.637 -7.964 -7.199 1.00 0.00 C ATOM 968 O PHE A 68 0.848 -8.613 -6.514 1.00 0.00 O ATOM 969 CB PHE A 68 2.308 -5.599 -6.794 1.00 0.00 C ATOM 970 CG PHE A 68 3.779 -5.825 -7.147 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.305 -5.257 -8.266 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.562 -6.593 -6.343 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.671 -5.466 -8.594 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.927 -6.802 -6.671 1.00 0.00 C ATOM 975 CZ PHE A 68 6.453 -6.235 -7.789 1.00 0.00 C ATOM 0 H PHE A 68 -0.400 -6.714 -6.405 1.00 0.00 H new ATOM 0 HA PHE A 68 1.441 -6.396 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.052 -4.559 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.173 -5.757 -5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.684 -4.647 -8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.145 -7.044 -5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.089 -5.015 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.548 -7.412 -6.032 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.492 -6.395 -8.038 1.00 0.00 H new ATOM 985 N THR A 69 2.777 -8.436 -7.681 1.00 0.00 N ATOM 986 CA THR A 69 3.189 -9.805 -7.423 1.00 0.00 C ATOM 987 C THR A 69 4.635 -9.842 -6.926 1.00 0.00 C ATOM 988 O THR A 69 5.521 -9.246 -7.538 1.00 0.00 O ATOM 989 CB THR A 69 2.964 -10.616 -8.701 1.00 0.00 C ATOM 990 OG1 THR A 69 1.573 -10.923 -8.676 1.00 0.00 O ATOM 991 CG2 THR A 69 3.649 -11.983 -8.655 1.00 0.00 C ATOM 0 H THR A 69 3.429 -7.894 -8.249 1.00 0.00 H new ATOM 0 HA THR A 69 2.594 -10.254 -6.628 1.00 0.00 H new ATOM 0 HB THR A 69 3.334 -10.054 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.372 -11.466 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.458 -12.517 -9.586 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.723 -11.848 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.255 -12.560 -7.818 1.00 0.00 H new ATOM 999 N VAL A 70 4.831 -10.548 -5.822 1.00 0.00 N ATOM 1000 CA VAL A 70 6.155 -10.671 -5.237 1.00 0.00 C ATOM 1001 C VAL A 70 6.749 -12.030 -5.611 1.00 0.00 C ATOM 1002 O VAL A 70 6.200 -13.071 -5.253 1.00 0.00 O ATOM 1003 CB VAL A 70 6.081 -10.446 -3.725 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.479 -10.439 -3.103 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.329 -9.155 -3.399 1.00 0.00 C ATOM 0 H VAL A 70 4.094 -11.041 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 70 6.821 -9.905 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 70 5.525 -11.276 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.398 -10.277 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.965 -11.396 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.071 -9.638 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.291 -9.019 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.845 -8.309 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.315 -9.215 -3.793 1.00 0.00 H new ATOM 1015 N LYS A 71 7.863 -11.977 -6.325 1.00 0.00 N ATOM 1016 CA LYS A 71 8.538 -13.191 -6.752 1.00 0.00 C ATOM 1017 C LYS A 71 9.781 -13.409 -5.887 1.00 0.00 C ATOM 1018 O LYS A 71 10.095 -12.588 -5.026 1.00 0.00 O ATOM 1019 CB LYS A 71 8.834 -13.141 -8.252 1.00 0.00 C ATOM 1020 CG LYS A 71 9.909 -12.098 -8.564 1.00 0.00 C ATOM 1021 CD LYS A 71 9.661 -11.447 -9.927 1.00 0.00 C ATOM 1022 CE LYS A 71 8.483 -10.473 -9.863 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.706 -9.329 -10.774 1.00 0.00 N ATOM 0 H LYS A 71 8.316 -11.112 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 71 7.892 -14.057 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.164 -14.122 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.922 -12.903 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.915 -11.333 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.892 -12.569 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.558 -10.918 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.460 -12.218 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.562 -10.988 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.356 -10.113 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.897 -8.678 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.574 -8.828 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.804 -9.676 -11.749 1.00 0.00 H new ATOM 1037 N ASP A 72 10.456 -14.520 -6.145 1.00 0.00 N ATOM 1038 CA ASP A 72 11.658 -14.856 -5.401 1.00 0.00 C ATOM 1039 C ASP A 72 11.317 -14.966 -3.914 1.00 0.00 C ATOM 1040 O ASP A 72 11.603 -14.055 -3.139 1.00 0.00 O ATOM 1041 CB ASP A 72 12.726 -13.773 -5.563 1.00 0.00 C ATOM 1042 CG ASP A 72 13.574 -13.885 -6.831 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.161 -14.657 -7.724 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.617 -13.197 -6.880 1.00 0.00 O ATOM 0 H ASP A 72 10.193 -15.199 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 72 12.041 -15.801 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.238 -12.799 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.388 -13.804 -4.698 1.00 0.00 H new ATOM 1049 N LEU A 73 10.711 -16.090 -3.560 1.00 0.00 N ATOM 1050 CA LEU A 73 10.328 -16.331 -2.179 1.00 0.00 C ATOM 1051 C LEU A 73 10.559 -17.805 -1.840 1.00 0.00 C ATOM 1052 O LEU A 73 10.363 -18.678 -2.684 1.00 0.00 O ATOM 1053 CB LEU A 73 8.894 -15.860 -1.930 1.00 0.00 C ATOM 1054 CG LEU A 73 8.553 -14.455 -2.431 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.038 -14.260 -2.525 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.216 -13.387 -1.560 1.00 0.00 C ATOM 0 H LEU A 73 10.476 -16.844 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 73 10.952 -15.746 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.213 -16.568 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.701 -15.899 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 73 8.955 -14.344 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.822 -13.253 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.620 -14.990 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.592 -14.398 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.958 -12.398 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.866 -13.486 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.298 -13.515 -1.588 1.00 0.00 H new ATOM 1068 N PRO A 74 10.984 -18.043 -0.570 1.00 0.00 N ATOM 1069 CA PRO A 74 11.243 -19.397 -0.109 1.00 0.00 C ATOM 1070 C PRO A 74 9.936 -20.148 0.149 1.00 0.00 C ATOM 1071 O PRO A 74 9.097 -19.692 0.924 1.00 0.00 O ATOM 1072 CB PRO A 74 12.091 -19.230 1.141 1.00 0.00 C ATOM 1073 CG PRO A 74 11.886 -17.795 1.596 1.00 0.00 C ATOM 1074 CD PRO A 74 11.227 -17.034 0.457 1.00 0.00 C ATOM 0 HA PRO A 74 11.765 -20.002 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.786 -19.933 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.142 -19.426 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.261 -17.763 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.840 -17.338 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.297 -16.565 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.873 -16.239 0.086 1.00 0.00 H new ATOM 1082 N THR A 75 9.804 -21.287 -0.514 1.00 0.00 N ATOM 1083 CA THR A 75 8.613 -22.106 -0.365 1.00 0.00 C ATOM 1084 C THR A 75 8.474 -22.587 1.080 1.00 0.00 C ATOM 1085 O THR A 75 9.369 -23.246 1.608 1.00 0.00 O ATOM 1086 CB THR A 75 8.695 -23.248 -1.380 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.689 -22.590 -2.644 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.428 -24.106 -1.400 1.00 0.00 C ATOM 0 H THR A 75 10.502 -21.662 -1.156 1.00 0.00 H new ATOM 0 HA THR A 75 7.710 -21.532 -0.572 1.00 0.00 H new ATOM 0 HB THR A 75 9.555 -23.877 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.958 -21.937 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.539 -24.901 -2.137 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.270 -24.544 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.572 -23.485 -1.663 1.00 0.00 H new ATOM 1096 N GLY A 76 7.345 -22.240 1.680 1.00 0.00 N ATOM 1097 CA GLY A 76 7.076 -22.628 3.054 1.00 0.00 C ATOM 1098 C GLY A 76 7.859 -21.751 4.034 1.00 0.00 C ATOM 1099 O GLY A 76 8.592 -22.261 4.880 1.00 0.00 O ATOM 0 H GLY A 76 6.605 -21.694 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.008 -22.543 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.346 -23.674 3.200 1.00 0.00 H new ATOM 1103 N ALA A 77 7.676 -20.447 3.887 1.00 0.00 N ATOM 1104 CA ALA A 77 8.356 -19.494 4.748 1.00 0.00 C ATOM 1105 C ALA A 77 7.372 -18.400 5.168 1.00 0.00 C ATOM 1106 O ALA A 77 6.667 -17.840 4.330 1.00 0.00 O ATOM 1107 CB ALA A 77 9.579 -18.931 4.022 1.00 0.00 C ATOM 0 H ALA A 77 7.067 -20.028 3.185 1.00 0.00 H new ATOM 0 HA ALA A 77 8.712 -19.983 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.089 -18.216 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.260 -19.744 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.261 -18.431 3.107 1.00 0.00 H new ATOM 1113 N ARG A 78 7.356 -18.130 6.465 1.00 0.00 N ATOM 1114 CA ARG A 78 6.470 -17.113 7.006 1.00 0.00 C ATOM 1115 C ARG A 78 6.986 -15.716 6.653 1.00 0.00 C ATOM 1116 O ARG A 78 7.870 -15.189 7.327 1.00 0.00 O ATOM 1117 CB ARG A 78 6.353 -17.237 8.527 1.00 0.00 C ATOM 1118 CG ARG A 78 5.233 -18.205 8.913 1.00 0.00 C ATOM 1119 CD ARG A 78 5.801 -19.467 9.566 1.00 0.00 C ATOM 1120 NE ARG A 78 5.055 -20.658 9.100 1.00 0.00 N ATOM 1121 CZ ARG A 78 5.085 -21.850 9.711 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.823 -22.017 10.817 1.00 0.00 N ATOM 1123 NH2 ARG A 78 4.376 -22.874 9.217 1.00 0.00 N ATOM 0 H ARG A 78 7.942 -18.597 7.157 1.00 0.00 H new ATOM 0 HA ARG A 78 5.485 -17.262 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.299 -17.586 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.157 -16.257 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.544 -17.714 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.660 -18.476 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.858 -19.570 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.733 -19.387 10.651 1.00 0.00 H new ATOM 0 HE ARG A 78 4.482 -20.565 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.362 -21.237 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.846 -22.924 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.813 -22.746 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.399 -23.781 9.682 1.00 0.00 H new ATOM 1137 N ILE A 79 6.412 -15.157 5.598 1.00 0.00 N ATOM 1138 CA ILE A 79 6.804 -13.832 5.148 1.00 0.00 C ATOM 1139 C ILE A 79 5.608 -12.885 5.264 1.00 0.00 C ATOM 1140 O ILE A 79 4.472 -13.279 5.004 1.00 0.00 O ATOM 1141 CB ILE A 79 7.401 -13.899 3.741 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.551 -14.907 3.681 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.830 -12.511 3.261 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.960 -15.187 2.233 1.00 0.00 C ATOM 0 H ILE A 79 5.679 -15.597 5.042 1.00 0.00 H new ATOM 0 HA ILE A 79 7.592 -13.431 5.785 1.00 0.00 H new ATOM 0 HB ILE A 79 6.628 -14.251 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.406 -14.522 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.250 -15.837 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.251 -12.587 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.964 -11.849 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.581 -12.107 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.779 -15.906 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.109 -15.595 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.284 -14.260 1.760 1.00 0.00 H new ATOM 1156 N LEU A 80 5.904 -11.654 5.653 1.00 0.00 N ATOM 1157 CA LEU A 80 4.867 -10.647 5.806 1.00 0.00 C ATOM 1158 C LEU A 80 4.991 -9.618 4.681 1.00 0.00 C ATOM 1159 O LEU A 80 6.091 -9.163 4.369 1.00 0.00 O ATOM 1160 CB LEU A 80 4.918 -10.035 7.207 1.00 0.00 C ATOM 1161 CG LEU A 80 4.259 -10.853 8.320 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.680 -10.341 9.699 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.738 -10.876 8.157 1.00 0.00 C ATOM 0 H LEU A 80 6.847 -11.330 5.867 1.00 0.00 H new ATOM 0 HA LEU A 80 3.880 -11.100 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.962 -9.872 7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.441 -9.056 7.172 1.00 0.00 H new ATOM 0 HG LEU A 80 4.607 -11.883 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.198 -10.939 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.762 -10.420 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.380 -9.299 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.295 -11.464 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.352 -9.857 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.482 -11.323 7.197 1.00 0.00 H new ATOM 1175 N PHE A 81 3.848 -9.281 4.101 1.00 0.00 N ATOM 1176 CA PHE A 81 3.815 -8.315 3.017 1.00 0.00 C ATOM 1177 C PHE A 81 3.109 -7.029 3.451 1.00 0.00 C ATOM 1178 O PHE A 81 2.002 -7.074 3.987 1.00 0.00 O ATOM 1179 CB PHE A 81 3.028 -8.954 1.872 1.00 0.00 C ATOM 1180 CG PHE A 81 3.640 -10.253 1.345 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.972 -10.320 1.082 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.851 -11.342 1.141 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.540 -11.526 0.593 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.419 -12.549 0.653 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.751 -12.615 0.389 1.00 0.00 C ATOM 0 H PHE A 81 2.938 -9.660 4.362 1.00 0.00 H new ATOM 0 HA PHE A 81 4.831 -8.057 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.012 -9.155 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.955 -8.240 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.599 -9.456 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.793 -11.289 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.598 -11.579 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.793 -13.414 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.183 -13.532 0.017 1.00 0.00 H new ATOM 1195 N ARG A 82 3.777 -5.912 3.203 1.00 0.00 N ATOM 1196 CA ARG A 82 3.227 -4.615 3.561 1.00 0.00 C ATOM 1197 C ARG A 82 3.381 -3.634 2.398 1.00 0.00 C ATOM 1198 O ARG A 82 4.432 -3.578 1.763 1.00 0.00 O ATOM 1199 CB ARG A 82 3.924 -4.044 4.798 1.00 0.00 C ATOM 1200 CG ARG A 82 5.329 -3.547 4.454 1.00 0.00 C ATOM 1201 CD ARG A 82 6.001 -2.913 5.674 1.00 0.00 C ATOM 1202 NE ARG A 82 7.398 -2.549 5.351 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.751 -1.441 4.686 1.00 0.00 C ATOM 1204 NH1 ARG A 82 6.811 -0.581 4.270 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.044 -1.192 4.438 1.00 0.00 N ATOM 0 H ARG A 82 4.694 -5.878 2.758 1.00 0.00 H new ATOM 0 HA ARG A 82 2.169 -4.753 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.334 -3.224 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.984 -4.809 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.934 -4.378 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.273 -2.818 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.448 -2.026 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.983 -3.609 6.512 1.00 0.00 H new ATOM 0 HE ARG A 82 8.139 -3.181 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.827 -0.770 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.080 0.263 3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.759 -1.846 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.313 -0.348 3.932 1.00 0.00 H new ATOM 1219 N VAL A 83 2.316 -2.883 2.154 1.00 0.00 N ATOM 1220 CA VAL A 83 2.320 -1.907 1.078 1.00 0.00 C ATOM 1221 C VAL A 83 2.284 -0.498 1.674 1.00 0.00 C ATOM 1222 O VAL A 83 1.587 -0.253 2.657 1.00 0.00 O ATOM 1223 CB VAL A 83 1.159 -2.180 0.120 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.658 -0.882 -0.519 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.559 -3.198 -0.950 1.00 0.00 C ATOM 0 H VAL A 83 1.445 -2.931 2.683 1.00 0.00 H new ATOM 0 HA VAL A 83 3.235 -1.989 0.491 1.00 0.00 H new ATOM 0 HB VAL A 83 0.340 -2.606 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.167 -1.104 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.315 -0.202 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.469 -0.415 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.716 -3.374 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.401 -2.811 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.845 -4.135 -0.472 1.00 0.00 H new ATOM 1235 N VAL A 84 3.045 0.392 1.054 1.00 0.00 N ATOM 1236 CA VAL A 84 3.110 1.770 1.510 1.00 0.00 C ATOM 1237 C VAL A 84 2.977 2.708 0.309 1.00 0.00 C ATOM 1238 O VAL A 84 3.622 2.501 -0.718 1.00 0.00 O ATOM 1239 CB VAL A 84 4.396 1.998 2.307 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.237 1.519 3.752 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.587 1.316 1.631 1.00 0.00 C ATOM 0 H VAL A 84 3.622 0.185 0.239 1.00 0.00 H new ATOM 0 HA VAL A 84 2.282 1.987 2.185 1.00 0.00 H new ATOM 0 HB VAL A 84 4.592 3.070 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.165 1.692 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.427 2.069 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.006 0.454 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.489 1.493 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.403 0.244 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.720 1.724 0.629 1.00 0.00 H new ATOM 1251 N GLY A 85 2.137 3.718 0.477 1.00 0.00 N ATOM 1252 CA GLY A 85 1.911 4.688 -0.581 1.00 0.00 C ATOM 1253 C GLY A 85 3.014 5.749 -0.596 1.00 0.00 C ATOM 1254 O GLY A 85 3.111 6.562 0.321 1.00 0.00 O ATOM 0 H GLY A 85 1.604 3.886 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.877 4.179 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.942 5.167 -0.439 1.00 0.00 H new ATOM 1258 N VAL A 86 3.817 5.706 -1.649 1.00 0.00 N ATOM 1259 CA VAL A 86 4.909 6.653 -1.797 1.00 0.00 C ATOM 1260 C VAL A 86 4.371 7.957 -2.387 1.00 0.00 C ATOM 1261 O VAL A 86 3.292 7.977 -2.977 1.00 0.00 O ATOM 1262 CB VAL A 86 6.029 6.034 -2.636 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.694 4.873 -1.892 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.506 5.582 -4.001 1.00 0.00 C ATOM 0 H VAL A 86 3.733 5.030 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 86 5.343 6.890 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 86 6.785 6.801 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.486 4.451 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.119 5.236 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.951 4.104 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.322 5.146 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.722 4.838 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.101 6.440 -4.538 1.00 0.00 H new ATOM 1274 N ASN A 87 5.148 9.016 -2.208 1.00 0.00 N ATOM 1275 CA ASN A 87 4.762 10.321 -2.716 1.00 0.00 C ATOM 1276 C ASN A 87 5.768 11.369 -2.233 1.00 0.00 C ATOM 1277 O ASN A 87 6.677 11.054 -1.466 1.00 0.00 O ATOM 1278 CB ASN A 87 3.378 10.725 -2.205 1.00 0.00 C ATOM 1279 CG ASN A 87 3.251 10.465 -0.702 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.043 9.760 -0.099 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.213 11.072 -0.134 1.00 0.00 N ATOM 0 H ASN A 87 6.043 8.996 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 87 4.742 10.266 -3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.204 11.781 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.611 10.166 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.042 10.961 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.588 11.649 -0.698 1.00 0.00 H new ATOM 1288 N ILE A 88 5.571 12.592 -2.702 1.00 0.00 N ATOM 1289 CA ILE A 88 6.450 13.687 -2.328 1.00 0.00 C ATOM 1290 C ILE A 88 6.562 13.747 -0.803 1.00 0.00 C ATOM 1291 O ILE A 88 7.638 14.003 -0.266 1.00 0.00 O ATOM 1292 CB ILE A 88 5.974 14.996 -2.961 1.00 0.00 C ATOM 1293 CG1 ILE A 88 7.072 16.061 -2.910 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.676 15.480 -2.312 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.222 16.759 -4.264 1.00 0.00 C ATOM 0 H ILE A 88 4.816 12.849 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 88 7.455 13.519 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 88 5.757 14.807 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.834 16.797 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.018 15.600 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.360 16.412 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.900 14.726 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.842 15.647 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.009 17.511 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.483 16.024 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.281 17.240 -4.532 1.00 0.00 H new ATOM 1307 N ALA A 89 5.435 13.506 -0.149 1.00 0.00 N ATOM 1308 CA ALA A 89 5.393 13.529 1.303 1.00 0.00 C ATOM 1309 C ALA A 89 6.291 12.420 1.853 1.00 0.00 C ATOM 1310 O ALA A 89 6.720 12.476 3.005 1.00 0.00 O ATOM 1311 CB ALA A 89 3.944 13.394 1.775 1.00 0.00 C ATOM 0 H ALA A 89 4.544 13.294 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 89 5.772 14.478 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.913 13.411 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.355 14.222 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.530 12.452 1.415 1.00 0.00 H new ATOM 1317 N GLY A 90 6.550 11.436 1.004 1.00 0.00 N ATOM 1318 CA GLY A 90 7.389 10.315 1.390 1.00 0.00 C ATOM 1319 C GLY A 90 6.618 8.996 1.301 1.00 0.00 C ATOM 1320 O GLY A 90 6.350 8.502 0.207 1.00 0.00 O ATOM 0 H GLY A 90 6.193 11.392 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.265 10.272 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.751 10.461 2.408 1.00 0.00 H new ATOM 1324 N ARG A 91 6.282 8.464 2.467 1.00 0.00 N ATOM 1325 CA ARG A 91 5.547 7.213 2.535 1.00 0.00 C ATOM 1326 C ARG A 91 4.439 7.304 3.586 1.00 0.00 C ATOM 1327 O ARG A 91 4.450 8.200 4.429 1.00 0.00 O ATOM 1328 CB ARG A 91 6.475 6.047 2.883 1.00 0.00 C ATOM 1329 CG ARG A 91 7.272 6.342 4.156 1.00 0.00 C ATOM 1330 CD ARG A 91 6.547 5.807 5.393 1.00 0.00 C ATOM 1331 NE ARG A 91 7.490 5.708 6.529 1.00 0.00 N ATOM 1332 CZ ARG A 91 7.258 4.993 7.638 1.00 0.00 C ATOM 1333 NH1 ARG A 91 6.111 4.311 7.768 1.00 0.00 N ATOM 1334 NH2 ARG A 91 8.171 4.961 8.618 1.00 0.00 N ATOM 0 H ARG A 91 6.505 8.877 3.372 1.00 0.00 H new ATOM 0 HA ARG A 91 5.108 7.033 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.888 5.139 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.160 5.863 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.260 5.888 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.422 7.417 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.719 6.467 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.119 4.828 5.179 1.00 0.00 H new ATOM 0 HE ARG A 91 8.372 6.216 6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.415 4.337 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.934 3.767 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.043 5.481 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.994 4.417 9.462 1.00 0.00 H new ATOM 1348 N SER A 92 3.508 6.365 3.501 1.00 0.00 N ATOM 1349 CA SER A 92 2.394 6.329 4.434 1.00 0.00 C ATOM 1350 C SER A 92 2.425 5.026 5.235 1.00 0.00 C ATOM 1351 O SER A 92 3.127 4.084 4.869 1.00 0.00 O ATOM 1352 CB SER A 92 1.058 6.471 3.702 1.00 0.00 C ATOM 1353 OG SER A 92 0.894 5.478 2.694 1.00 0.00 O ATOM 0 H SER A 92 3.502 5.623 2.801 1.00 0.00 H new ATOM 0 HA SER A 92 2.493 7.171 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.241 6.397 4.420 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.996 7.461 3.250 1.00 0.00 H new ATOM 0 HG SER A 92 0.029 5.601 2.251 1.00 0.00 H new ATOM 1359 N GLU A 93 1.656 5.014 6.314 1.00 0.00 N ATOM 1360 CA GLU A 93 1.586 3.841 7.170 1.00 0.00 C ATOM 1361 C GLU A 93 1.486 2.571 6.323 1.00 0.00 C ATOM 1362 O GLU A 93 0.708 2.514 5.372 1.00 0.00 O ATOM 1363 CB GLU A 93 0.412 3.944 8.145 1.00 0.00 C ATOM 1364 CG GLU A 93 0.831 4.655 9.434 1.00 0.00 C ATOM 1365 CD GLU A 93 1.170 3.645 10.532 1.00 0.00 C ATOM 1366 OE1 GLU A 93 0.366 2.703 10.705 1.00 0.00 O ATOM 1367 OE2 GLU A 93 2.226 3.837 11.174 1.00 0.00 O ATOM 0 H GLU A 93 1.076 5.797 6.615 1.00 0.00 H new ATOM 0 HA GLU A 93 2.502 3.790 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.408 4.487 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.041 2.946 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.696 5.289 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.026 5.308 9.771 1.00 0.00 H new ATOM 1374 N PRO A 94 2.306 1.557 6.709 1.00 0.00 N ATOM 1375 CA PRO A 94 2.317 0.291 5.996 1.00 0.00 C ATOM 1376 C PRO A 94 1.076 -0.538 6.332 1.00 0.00 C ATOM 1377 O PRO A 94 0.754 -0.734 7.503 1.00 0.00 O ATOM 1378 CB PRO A 94 3.613 -0.384 6.413 1.00 0.00 C ATOM 1379 CG PRO A 94 4.053 0.311 7.692 1.00 0.00 C ATOM 1380 CD PRO A 94 3.241 1.589 7.830 1.00 0.00 C ATOM 0 HA PRO A 94 2.280 0.417 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.462 -1.450 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.371 -0.288 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.894 -0.338 8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.119 0.538 7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.715 1.623 8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.880 2.471 7.787 1.00 0.00 H new ATOM 1388 N ALA A 95 0.413 -1.003 5.284 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.786 -1.807 5.453 1.00 0.00 C ATOM 1390 C ALA A 95 -0.389 -3.267 5.675 1.00 0.00 C ATOM 1391 O ALA A 95 -0.882 -4.161 4.989 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.696 -1.629 4.236 1.00 0.00 C ATOM 0 H ALA A 95 0.683 -0.839 4.314 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.346 -1.481 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.595 -2.232 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.974 -0.579 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.168 -1.949 3.337 1.00 0.00 H new ATOM 1398 N THR A 96 0.500 -3.465 6.638 1.00 0.00 N ATOM 1399 CA THR A 96 0.970 -4.802 6.960 1.00 0.00 C ATOM 1400 C THR A 96 -0.195 -5.794 6.949 1.00 0.00 C ATOM 1401 O THR A 96 -1.282 -5.485 7.435 1.00 0.00 O ATOM 1402 CB THR A 96 1.699 -4.737 8.303 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.379 -3.485 8.268 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.824 -5.768 8.409 1.00 0.00 C ATOM 0 H THR A 96 0.907 -2.722 7.206 1.00 0.00 H new ATOM 0 HA THR A 96 1.673 -5.165 6.210 1.00 0.00 H new ATOM 0 HB THR A 96 0.985 -4.894 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.877 -3.360 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.309 -5.679 9.381 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.410 -6.771 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.556 -5.590 7.621 1.00 0.00 H new ATOM 1412 N LEU A 97 0.071 -6.965 6.389 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.942 -8.003 6.308 1.00 0.00 C ATOM 1414 C LEU A 97 -1.334 -8.438 7.721 1.00 0.00 C ATOM 1415 O LEU A 97 -0.509 -8.412 8.634 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.460 -9.154 5.422 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.750 -9.015 3.926 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.009 -10.085 3.122 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.256 -9.035 3.655 1.00 0.00 C ATOM 0 H LEU A 97 0.974 -7.218 5.987 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.843 -7.619 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.616 -9.262 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.919 -10.077 5.777 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.376 -8.046 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.232 -9.964 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.064 -9.981 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.330 -11.074 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.434 -8.935 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.676 -9.977 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.731 -8.207 4.181 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.593 -8.828 7.859 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.104 -9.268 9.146 1.00 0.00 C ATOM 1433 C LEU A 98 -2.427 -10.584 9.535 1.00 0.00 C ATOM 1434 O LEU A 98 -2.312 -10.900 10.719 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.632 -9.347 9.117 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.366 -8.036 8.832 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.449 -8.233 7.770 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.930 -7.433 10.121 1.00 0.00 C ATOM 0 H LEU A 98 -3.274 -8.848 7.100 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.860 -8.542 9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.924 -10.076 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.974 -9.731 10.078 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.647 -7.322 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.955 -7.285 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.992 -8.585 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.173 -8.969 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.447 -6.501 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.630 -8.134 10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.115 -7.233 10.816 1.00 0.00 H new ATOM 1450 N GLN A 99 -1.997 -11.315 8.518 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.335 -12.590 8.739 1.00 0.00 C ATOM 1452 C GLN A 99 -0.227 -12.799 7.705 1.00 0.00 C ATOM 1453 O GLN A 99 -0.289 -12.252 6.605 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.340 -13.743 8.708 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.134 -13.815 10.014 1.00 0.00 C ATOM 1456 CD GLN A 99 -2.199 -13.978 11.215 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -1.268 -14.766 11.207 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -2.499 -13.190 12.244 1.00 0.00 N ATOM 0 H GLN A 99 -2.094 -11.049 7.538 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.881 -12.575 9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.024 -13.611 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.814 -14.684 8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.730 -12.910 10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.831 -14.652 9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.293 -12.553 12.184 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.935 -13.223 13.093 1.00 0.00 H new ATOM 1467 N PRO A 100 0.786 -13.614 8.105 1.00 0.00 N ATOM 1468 CA PRO A 100 1.905 -13.902 7.225 1.00 0.00 C ATOM 1469 C PRO A 100 1.500 -14.888 6.126 1.00 0.00 C ATOM 1470 O PRO A 100 0.363 -15.356 6.097 1.00 0.00 O ATOM 1471 CB PRO A 100 2.993 -14.445 8.137 1.00 0.00 C ATOM 1472 CG PRO A 100 2.290 -14.875 9.414 1.00 0.00 C ATOM 1473 CD PRO A 100 0.892 -14.279 9.400 1.00 0.00 C ATOM 0 HA PRO A 100 2.256 -13.020 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.508 -15.286 7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.746 -13.684 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.241 -15.962 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.843 -14.531 10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.131 -15.051 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.754 -13.574 10.220 1.00 0.00 H new ATOM 1481 N VAL A 101 2.453 -15.173 5.251 1.00 0.00 N ATOM 1482 CA VAL A 101 2.209 -16.094 4.154 1.00 0.00 C ATOM 1483 C VAL A 101 3.244 -17.220 4.199 1.00 0.00 C ATOM 1484 O VAL A 101 4.436 -16.966 4.370 1.00 0.00 O ATOM 1485 CB VAL A 101 2.208 -15.336 2.825 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.272 -16.304 1.642 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.988 -14.418 2.718 1.00 0.00 C ATOM 0 H VAL A 101 3.395 -14.783 5.279 1.00 0.00 H new ATOM 0 HA VAL A 101 1.225 -16.553 4.252 1.00 0.00 H new ATOM 0 HB VAL A 101 3.101 -14.711 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.270 -15.740 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.185 -16.896 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.407 -16.967 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.012 -13.891 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.078 -15.014 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.005 -13.694 3.533 1.00 0.00 H new ATOM 1497 N THR A 102 2.752 -18.440 4.043 1.00 0.00 N ATOM 1498 CA THR A 102 3.620 -19.605 4.065 1.00 0.00 C ATOM 1499 C THR A 102 4.293 -19.794 2.704 1.00 0.00 C ATOM 1500 O THR A 102 5.326 -20.453 2.604 1.00 0.00 O ATOM 1501 CB THR A 102 2.783 -20.810 4.501 1.00 0.00 C ATOM 1502 OG1 THR A 102 3.123 -20.990 5.873 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.234 -22.109 3.831 1.00 0.00 C ATOM 0 H THR A 102 1.763 -18.647 3.901 1.00 0.00 H new ATOM 0 HA THR A 102 4.433 -19.479 4.780 1.00 0.00 H new ATOM 0 HB THR A 102 1.734 -20.627 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.624 -21.751 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.608 -22.932 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.143 -22.011 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.273 -22.311 4.091 1.00 0.00 H new ATOM 1511 N ILE A 103 3.679 -19.202 1.689 1.00 0.00 N ATOM 1512 CA ILE A 103 4.206 -19.297 0.338 1.00 0.00 C ATOM 1513 C ILE A 103 4.122 -20.749 -0.137 1.00 0.00 C ATOM 1514 O ILE A 103 4.962 -21.573 0.222 1.00 0.00 O ATOM 1515 CB ILE A 103 5.617 -18.708 0.271 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.648 -17.291 0.846 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.165 -18.760 -1.156 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.918 -16.310 -0.074 1.00 0.00 C ATOM 0 H ILE A 103 2.822 -18.655 1.775 1.00 0.00 H new ATOM 0 HA ILE A 103 3.604 -18.702 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 103 6.273 -19.320 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.184 -17.285 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.681 -16.971 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.169 -18.335 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.202 -19.796 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.515 -18.186 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.955 -15.310 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.400 -16.301 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.879 -16.619 -0.185 1.00 0.00 H new ATOM 1530 N ARG A 104 3.101 -21.018 -0.937 1.00 0.00 N ATOM 1531 CA ARG A 104 2.897 -22.356 -1.466 1.00 0.00 C ATOM 1532 C ARG A 104 1.714 -22.368 -2.436 1.00 0.00 C ATOM 1533 O ARG A 104 0.749 -21.628 -2.254 1.00 0.00 O ATOM 1534 CB ARG A 104 2.634 -23.358 -0.340 1.00 0.00 C ATOM 1535 CG ARG A 104 3.802 -24.335 -0.192 1.00 0.00 C ATOM 1536 CD ARG A 104 4.000 -24.735 1.272 1.00 0.00 C ATOM 1537 NE ARG A 104 4.041 -26.210 1.392 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.778 -26.878 2.524 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.455 -26.208 3.638 1.00 0.00 N ATOM 1540 NH2 ARG A 104 3.840 -28.217 2.540 1.00 0.00 N ATOM 0 H ARG A 104 2.406 -20.332 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 104 3.806 -22.647 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.480 -22.824 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.717 -23.910 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.615 -25.224 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.714 -23.877 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.926 -24.305 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.189 -24.335 1.880 1.00 0.00 H new ATOM 0 HE ARG A 104 4.284 -26.751 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.409 -25.189 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.255 -26.717 4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.087 -28.726 1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.640 -28.727 3.401 1.00 0.00 H new ATOM 1554 N GLU A 105 1.829 -23.217 -3.448 1.00 0.00 N ATOM 1555 CA GLU A 105 0.781 -23.335 -4.448 1.00 0.00 C ATOM 1556 C GLU A 105 -0.092 -24.558 -4.159 1.00 0.00 C ATOM 1557 O GLU A 105 0.356 -25.509 -3.521 1.00 0.00 O ATOM 1558 CB GLU A 105 1.374 -23.405 -5.857 1.00 0.00 C ATOM 1559 CG GLU A 105 0.399 -22.837 -6.890 1.00 0.00 C ATOM 1560 CD GLU A 105 0.114 -23.857 -7.994 1.00 0.00 C ATOM 1561 OE1 GLU A 105 1.090 -24.499 -8.438 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -1.073 -23.972 -8.368 1.00 0.00 O ATOM 0 H GLU A 105 2.631 -23.829 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 105 0.154 -22.445 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.310 -22.847 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.611 -24.440 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.533 -22.557 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.815 -21.929 -7.327 1.00 0.00 H new