USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 104 SER OG : rot 180:sc= 0.507 USER MOD Set 1.2: A 107 SER OG : rot -25:sc= 1.52 USER MOD Set 2.1: A 49 TYR OH : rot 18:sc= 1.26 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.747 K(o=2,f=-7.6!) USER MOD Set 2.3: A 83 HIS : no HD1:sc= 0 X(o=2,f=1.7) USER MOD Set 3.1: A 23 MET CE :methyl -168:sc= -2.11 (180deg=-2.68!) USER MOD Set 3.2: A 41 MET CE :methyl -172:sc= -1.4 (180deg=-1.65) USER MOD Single : A 4 MET CE :methyl 153:sc= -0.512 (180deg=-0.85) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.727 K(o=0.73,f=-0.24) USER MOD Single : A 17 ASN : amide:sc= -0.0668 K(o=-0.067,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.518 K(o=-0.52,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 26:sc= 0.0519 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -65:sc= 1.47 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.79 (180deg=0.789) USER MOD Single : A 55 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.37) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -140:sc= 0.488 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 177:sc= 1.21 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 72 MET CE :methyl 178:sc=-0.00195 (180deg=-0.00608) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.595 USER MOD Single : A 77 ASN : amide:sc= -0.49 K(o=-0.49,f=-3.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0262 K(o=-0.026,f=-8.8!) USER MOD Single : A 89 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-0.95) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 140:sc= 1.16 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.513! USER MOD Single : A 100 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 109 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 111 SER OG : rot 73:sc= 1.19 USER MOD Single : A 114 SER OG : rot -27:sc= 0.756 USER MOD Single : A 115 MET CE :methyl 167:sc= -0.839 (180deg=-1.08) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.654 -8.251 -17.211 1.00 0.00 N ATOM 42 CA MET A 4 1.119 -7.449 -16.087 1.00 0.00 C ATOM 43 C MET A 4 0.832 -5.975 -16.322 1.00 0.00 C ATOM 44 O MET A 4 0.278 -5.294 -15.456 1.00 0.00 O ATOM 45 CB MET A 4 2.612 -7.687 -15.875 1.00 0.00 C ATOM 46 CG MET A 4 3.234 -6.902 -14.737 1.00 0.00 C ATOM 47 SD MET A 4 3.715 -5.225 -15.184 1.00 0.00 S ATOM 48 CE MET A 4 5.125 -5.520 -16.243 1.00 0.00 C ATOM 0 HA MET A 4 0.582 -7.750 -15.188 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.772 -8.750 -15.693 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.138 -7.439 -16.797 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.526 -6.858 -13.909 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.112 -7.438 -14.377 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.229 -4.696 -16.949 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.027 -5.594 -15.636 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.980 -6.451 -16.791 1.00 0.00 H new ATOM 58 N GLN A 5 1.231 -5.503 -17.501 1.00 0.00 N ATOM 59 CA GLN A 5 1.031 -4.119 -17.877 1.00 0.00 C ATOM 60 C GLN A 5 -0.442 -3.806 -18.043 1.00 0.00 C ATOM 61 O GLN A 5 -0.861 -2.739 -17.603 1.00 0.00 O ATOM 62 CB GLN A 5 1.780 -3.803 -19.169 1.00 0.00 C ATOM 63 CG GLN A 5 3.291 -3.801 -19.017 1.00 0.00 C ATOM 64 CD GLN A 5 4.009 -3.550 -20.328 1.00 0.00 C ATOM 65 OE1 GLN A 5 3.483 -3.847 -21.404 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.215 -2.999 -20.247 1.00 0.00 N ATOM 0 H GLN A 5 1.697 -6.068 -18.211 1.00 0.00 H new ATOM 0 HA GLN A 5 1.426 -3.495 -17.076 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.502 -4.535 -19.928 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.460 -2.827 -19.534 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.579 -3.035 -18.297 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.613 -4.759 -18.609 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.611 -2.770 -19.335 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.745 -2.805 -21.097 1.00 0.00 H new ATOM 75 N LYS A 6 -1.211 -4.710 -18.659 1.00 0.00 N ATOM 76 CA LYS A 6 -2.646 -4.500 -18.828 1.00 0.00 C ATOM 77 C LYS A 6 -3.336 -4.351 -17.483 1.00 0.00 C ATOM 78 O LYS A 6 -4.199 -3.484 -17.334 1.00 0.00 O ATOM 79 CB LYS A 6 -3.286 -5.637 -19.614 1.00 0.00 C ATOM 80 CG LYS A 6 -4.779 -5.460 -19.855 1.00 0.00 C ATOM 81 CD LYS A 6 -5.338 -6.592 -20.702 1.00 0.00 C ATOM 82 CE LYS A 6 -6.849 -6.511 -20.850 1.00 0.00 C ATOM 83 NZ LYS A 6 -7.396 -7.688 -21.582 1.00 0.00 N ATOM 0 H LYS A 6 -0.863 -5.588 -19.045 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.772 -3.577 -19.393 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.782 -5.729 -20.576 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.123 -6.572 -19.078 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.302 -5.425 -18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.959 -4.507 -20.353 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.877 -6.566 -21.689 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.070 -7.547 -20.250 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.308 -6.451 -19.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.114 -5.597 -21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.429 -7.597 -21.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.976 -7.731 -22.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.165 -8.558 -21.062 1.00 0.00 H new ATOM 97 N ARG A 7 -2.977 -5.215 -16.530 1.00 0.00 N ATOM 98 CA ARG A 7 -3.501 -5.163 -15.174 1.00 0.00 C ATOM 99 C ARG A 7 -3.216 -3.803 -14.552 1.00 0.00 C ATOM 100 O ARG A 7 -4.097 -3.228 -13.912 1.00 0.00 O ATOM 101 CB ARG A 7 -2.884 -6.257 -14.311 1.00 0.00 C ATOM 102 CG ARG A 7 -3.323 -6.241 -12.856 1.00 0.00 C ATOM 103 CD ARG A 7 -4.751 -6.614 -12.665 1.00 0.00 C ATOM 104 NE ARG A 7 -5.125 -6.477 -11.266 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.581 -5.323 -10.741 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.740 -4.274 -11.511 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.884 -5.162 -9.467 1.00 0.00 N ATOM 0 H ARG A 7 -2.311 -5.972 -16.684 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.578 -5.321 -15.222 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.136 -7.226 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.799 -6.163 -14.350 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.697 -6.929 -12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.157 -5.245 -12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.386 -5.978 -13.282 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.913 -7.641 -12.993 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.038 -7.290 -10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.519 -4.333 -12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.085 -3.399 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.777 -5.939 -8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.225 -4.260 -9.134 1.00 0.00 H new ATOM 121 N LEU A 8 -1.991 -3.305 -14.727 1.00 0.00 N ATOM 122 CA LEU A 8 -1.645 -1.988 -14.219 1.00 0.00 C ATOM 123 C LEU A 8 -2.348 -0.859 -14.943 1.00 0.00 C ATOM 124 O LEU A 8 -2.643 0.149 -14.311 1.00 0.00 O ATOM 125 CB LEU A 8 -0.135 -1.790 -14.287 1.00 0.00 C ATOM 126 CG LEU A 8 0.599 -2.668 -13.283 1.00 0.00 C ATOM 127 CD1 LEU A 8 2.097 -2.570 -13.479 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.199 -2.196 -11.900 1.00 0.00 C ATOM 0 H LEU A 8 -1.235 -3.790 -15.210 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.987 -1.952 -13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.216 -2.018 -15.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.103 -0.744 -14.096 1.00 0.00 H new ATOM 0 HG LEU A 8 0.331 -3.716 -13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.602 -3.205 -12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.354 -2.897 -14.486 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.415 -1.537 -13.341 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.705 -2.802 -11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.483 -1.151 -11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.880 -2.295 -11.780 1.00 0.00 H new ATOM 140 N GLN A 9 -2.616 -0.991 -16.238 1.00 0.00 N ATOM 141 CA GLN A 9 -3.356 0.045 -16.948 1.00 0.00 C ATOM 142 C GLN A 9 -4.773 0.126 -16.400 1.00 0.00 C ATOM 143 O GLN A 9 -5.304 1.220 -16.211 1.00 0.00 O ATOM 144 CB GLN A 9 -3.377 -0.247 -18.448 1.00 0.00 C ATOM 145 CG GLN A 9 -2.035 -0.073 -19.135 1.00 0.00 C ATOM 146 CD GLN A 9 -2.064 -0.523 -20.582 1.00 0.00 C ATOM 147 OE1 GLN A 9 -2.881 -1.361 -20.973 1.00 0.00 O ATOM 148 NE2 GLN A 9 -1.168 0.034 -21.389 1.00 0.00 N ATOM 0 H GLN A 9 -2.338 -1.790 -16.808 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.861 1.004 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.722 -1.269 -18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.104 0.410 -18.924 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.740 0.975 -19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.277 -0.641 -18.596 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.511 0.723 -21.023 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.137 -0.227 -22.374 1.00 0.00 H new ATOM 157 N LYS A 10 -5.373 -1.037 -16.154 1.00 0.00 N ATOM 158 CA LYS A 10 -6.699 -1.134 -15.565 1.00 0.00 C ATOM 159 C LYS A 10 -6.742 -0.488 -14.188 1.00 0.00 C ATOM 160 O LYS A 10 -7.656 0.286 -13.896 1.00 0.00 O ATOM 161 CB LYS A 10 -7.125 -2.600 -15.470 1.00 0.00 C ATOM 162 CG LYS A 10 -8.516 -2.818 -14.891 1.00 0.00 C ATOM 163 CD LYS A 10 -8.883 -4.295 -14.884 1.00 0.00 C ATOM 164 CE LYS A 10 -10.264 -4.520 -14.285 1.00 0.00 C ATOM 165 NZ LYS A 10 -10.636 -5.961 -14.277 1.00 0.00 N ATOM 0 H LYS A 10 -4.947 -1.941 -16.360 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.394 -0.597 -16.211 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.087 -3.041 -16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.402 -3.136 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.556 -2.426 -13.875 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.248 -2.261 -15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.859 -4.683 -15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.141 -4.853 -14.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.285 -4.134 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.003 -3.957 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.583 -6.073 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.640 -6.324 -15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.945 -6.495 -13.712 1.00 0.00 H new ATOM 179 N GLU A 11 -5.749 -0.817 -13.362 1.00 0.00 N ATOM 180 CA GLU A 11 -5.649 -0.315 -12.001 1.00 0.00 C ATOM 181 C GLU A 11 -5.403 1.181 -11.970 1.00 0.00 C ATOM 182 O GLU A 11 -5.990 1.880 -11.144 1.00 0.00 O ATOM 183 CB GLU A 11 -4.503 -1.010 -11.282 1.00 0.00 C ATOM 184 CG GLU A 11 -4.397 -0.703 -9.805 1.00 0.00 C ATOM 185 CD GLU A 11 -5.544 -1.247 -8.998 1.00 0.00 C ATOM 186 OE1 GLU A 11 -6.228 -2.139 -9.459 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.717 -0.794 -7.888 1.00 0.00 O ATOM 0 H GLU A 11 -4.989 -1.444 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.597 -0.521 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.615 -2.087 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.567 -0.729 -11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.464 -1.117 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.347 0.377 -9.669 1.00 0.00 H new ATOM 194 N LEU A 12 -4.526 1.637 -12.862 1.00 0.00 N ATOM 195 CA LEU A 12 -4.171 3.031 -13.031 1.00 0.00 C ATOM 196 C LEU A 12 -5.409 3.837 -13.305 1.00 0.00 C ATOM 197 O LEU A 12 -5.689 4.785 -12.576 1.00 0.00 O ATOM 198 CB LEU A 12 -3.188 3.186 -14.199 1.00 0.00 C ATOM 199 CG LEU A 12 -2.731 4.594 -14.592 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.982 5.240 -13.437 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.837 4.478 -15.816 1.00 0.00 C ATOM 0 H LEU A 12 -4.030 1.020 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.698 3.390 -12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.298 2.603 -13.962 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.643 2.729 -15.077 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.591 5.222 -14.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.661 6.241 -13.726 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.638 5.306 -12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.109 4.637 -13.187 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.499 5.470 -16.115 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.974 3.857 -15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.397 4.024 -16.634 1.00 0.00 H new ATOM 213 N LEU A 13 -6.155 3.429 -14.327 1.00 0.00 N ATOM 214 CA LEU A 13 -7.360 4.132 -14.716 1.00 0.00 C ATOM 215 C LEU A 13 -8.423 4.082 -13.634 1.00 0.00 C ATOM 216 O LEU A 13 -9.149 5.060 -13.463 1.00 0.00 O ATOM 217 CB LEU A 13 -7.888 3.531 -16.016 1.00 0.00 C ATOM 218 CG LEU A 13 -6.994 3.796 -17.234 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.528 3.020 -18.429 1.00 0.00 C ATOM 220 CD2 LEU A 13 -6.956 5.293 -17.502 1.00 0.00 C ATOM 0 H LEU A 13 -5.940 2.612 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.113 5.183 -14.866 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.000 2.454 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.882 3.933 -16.213 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.975 3.458 -17.046 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.895 3.206 -19.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.526 1.954 -18.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.546 3.343 -18.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.323 5.492 -18.367 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.965 5.653 -17.701 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.553 5.809 -16.630 1.00 0.00 H new ATOM 232 N ALA A 14 -8.528 2.971 -12.904 1.00 0.00 N ATOM 233 CA ALA A 14 -9.480 2.897 -11.805 1.00 0.00 C ATOM 234 C ALA A 14 -9.165 3.953 -10.752 1.00 0.00 C ATOM 235 O ALA A 14 -10.079 4.601 -10.241 1.00 0.00 O ATOM 236 CB ALA A 14 -9.459 1.511 -11.180 1.00 0.00 C ATOM 0 H ALA A 14 -7.975 2.127 -13.052 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.477 3.088 -12.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.176 1.471 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.726 0.769 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.460 1.299 -10.799 1.00 0.00 H new ATOM 242 N LEU A 15 -7.880 4.115 -10.438 1.00 0.00 N ATOM 243 CA LEU A 15 -7.431 5.100 -9.467 1.00 0.00 C ATOM 244 C LEU A 15 -7.305 6.513 -10.021 1.00 0.00 C ATOM 245 O LEU A 15 -7.215 7.462 -9.246 1.00 0.00 O ATOM 246 CB LEU A 15 -6.109 4.615 -8.878 1.00 0.00 C ATOM 247 CG LEU A 15 -6.279 3.335 -8.050 1.00 0.00 C ATOM 248 CD1 LEU A 15 -4.934 2.794 -7.578 1.00 0.00 C ATOM 249 CD2 LEU A 15 -7.180 3.690 -6.878 1.00 0.00 C ATOM 0 H LEU A 15 -7.126 3.566 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.196 5.180 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.399 4.432 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.684 5.398 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.724 2.542 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.091 1.887 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.310 2.566 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.438 3.542 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.332 2.808 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.713 4.476 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.142 4.041 -7.252 1.00 0.00 H new ATOM 261 N GLN A 16 -7.252 6.682 -11.339 1.00 0.00 N ATOM 262 CA GLN A 16 -7.276 8.039 -11.864 1.00 0.00 C ATOM 263 C GLN A 16 -8.717 8.524 -11.873 1.00 0.00 C ATOM 264 O GLN A 16 -8.979 9.704 -11.632 1.00 0.00 O ATOM 265 CB GLN A 16 -6.678 8.137 -13.274 1.00 0.00 C ATOM 266 CG GLN A 16 -5.183 7.881 -13.351 1.00 0.00 C ATOM 267 CD GLN A 16 -4.405 8.849 -12.489 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.569 10.071 -12.560 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.548 8.284 -11.650 1.00 0.00 N ATOM 0 H GLN A 16 -7.195 5.936 -12.032 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.658 8.666 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.188 7.423 -13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.883 9.131 -13.672 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.972 6.860 -13.033 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.852 7.968 -14.386 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.449 7.269 -11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.988 8.864 -11.025 1.00 0.00 H new ATOM 278 N ASN A 17 -9.650 7.620 -12.159 1.00 0.00 N ATOM 279 CA ASN A 17 -11.060 7.965 -12.150 1.00 0.00 C ATOM 280 C ASN A 17 -11.641 8.121 -10.750 1.00 0.00 C ATOM 281 O ASN A 17 -12.373 9.078 -10.498 1.00 0.00 O ATOM 282 CB ASN A 17 -11.843 6.926 -12.923 1.00 0.00 C ATOM 283 CG ASN A 17 -11.611 7.037 -14.404 1.00 0.00 C ATOM 284 OD1 ASN A 17 -11.182 8.084 -14.903 1.00 0.00 O ATOM 285 ND2 ASN A 17 -11.889 5.978 -15.118 1.00 0.00 N ATOM 0 H ASN A 17 -9.452 6.648 -12.398 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.146 8.941 -12.627 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.557 5.930 -12.584 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.906 7.042 -12.712 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.754 5.995 -16.129 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.241 5.135 -14.664 1.00 0.00 H new ATOM 292 N ASP A 18 -11.336 7.199 -9.838 1.00 0.00 N ATOM 293 CA ASP A 18 -11.888 7.316 -8.497 1.00 0.00 C ATOM 294 C ASP A 18 -11.043 6.644 -7.412 1.00 0.00 C ATOM 295 O ASP A 18 -11.343 5.514 -7.026 1.00 0.00 O ATOM 296 CB ASP A 18 -13.294 6.707 -8.488 1.00 0.00 C ATOM 297 CG ASP A 18 -14.055 6.904 -7.184 1.00 0.00 C ATOM 298 OD1 ASP A 18 -13.502 7.462 -6.267 1.00 0.00 O ATOM 299 OD2 ASP A 18 -15.188 6.490 -7.117 1.00 0.00 O ATOM 0 H ASP A 18 -10.732 6.392 -9.997 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.904 8.379 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.872 7.145 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.216 5.639 -8.691 1.00 0.00 H new ATOM 304 N PRO A 19 -9.993 7.301 -6.914 1.00 0.00 N ATOM 305 CA PRO A 19 -9.160 6.820 -5.839 1.00 0.00 C ATOM 306 C PRO A 19 -9.876 7.027 -4.505 1.00 0.00 C ATOM 307 O PRO A 19 -10.801 7.839 -4.449 1.00 0.00 O ATOM 308 CB PRO A 19 -7.921 7.700 -6.002 1.00 0.00 C ATOM 309 CG PRO A 19 -8.467 8.984 -6.572 1.00 0.00 C ATOM 310 CD PRO A 19 -9.622 8.600 -7.484 1.00 0.00 C ATOM 0 HA PRO A 19 -8.920 5.757 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.420 7.866 -5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.191 7.244 -6.670 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.806 9.647 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.697 9.520 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.440 9.320 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.318 8.523 -8.528 1.00 0.00 H new ATOM 318 N PRO A 20 -9.502 6.314 -3.438 1.00 0.00 N ATOM 319 CA PRO A 20 -10.075 6.474 -2.120 1.00 0.00 C ATOM 320 C PRO A 20 -9.900 7.916 -1.625 1.00 0.00 C ATOM 321 O PRO A 20 -8.928 8.563 -2.016 1.00 0.00 O ATOM 322 CB PRO A 20 -9.245 5.482 -1.300 1.00 0.00 C ATOM 323 CG PRO A 20 -8.731 4.487 -2.307 1.00 0.00 C ATOM 324 CD PRO A 20 -8.479 5.273 -3.578 1.00 0.00 C ATOM 0 HA PRO A 20 -11.148 6.289 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.425 5.983 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.851 4.995 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.816 4.012 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.458 3.693 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.470 5.683 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.617 4.670 -4.476 1.00 0.00 H new ATOM 332 N PRO A 21 -10.811 8.446 -0.803 1.00 0.00 N ATOM 333 CA PRO A 21 -10.730 9.784 -0.259 1.00 0.00 C ATOM 334 C PRO A 21 -9.397 10.063 0.422 1.00 0.00 C ATOM 335 O PRO A 21 -8.988 9.341 1.333 1.00 0.00 O ATOM 336 CB PRO A 21 -11.891 9.755 0.742 1.00 0.00 C ATOM 337 CG PRO A 21 -12.853 8.755 0.162 1.00 0.00 C ATOM 338 CD PRO A 21 -11.992 7.660 -0.430 1.00 0.00 C ATOM 0 HA PRO A 21 -10.794 10.572 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.554 9.454 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.352 10.737 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.518 8.359 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.483 9.213 -0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.761 6.875 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.461 7.178 -1.288 1.00 0.00 H new ATOM 346 N GLY A 22 -8.738 11.133 -0.016 1.00 0.00 N ATOM 347 CA GLY A 22 -7.438 11.533 0.515 1.00 0.00 C ATOM 348 C GLY A 22 -6.269 10.861 -0.210 1.00 0.00 C ATOM 349 O GLY A 22 -5.110 11.051 0.168 1.00 0.00 O ATOM 0 H GLY A 22 -9.091 11.747 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.335 12.615 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.392 11.286 1.576 1.00 0.00 H new ATOM 353 N MET A 23 -6.566 10.028 -1.213 1.00 0.00 N ATOM 354 CA MET A 23 -5.515 9.344 -1.953 1.00 0.00 C ATOM 355 C MET A 23 -5.316 9.826 -3.390 1.00 0.00 C ATOM 356 O MET A 23 -6.294 10.081 -4.097 1.00 0.00 O ATOM 357 CB MET A 23 -5.837 7.857 -1.965 1.00 0.00 C ATOM 358 CG MET A 23 -6.061 7.314 -0.565 1.00 0.00 C ATOM 359 SD MET A 23 -4.614 7.510 0.463 1.00 0.00 S ATOM 360 CE MET A 23 -3.631 6.346 -0.449 1.00 0.00 C ATOM 0 H MET A 23 -7.514 9.817 -1.524 1.00 0.00 H new ATOM 0 HA MET A 23 -4.579 9.568 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.728 7.684 -2.568 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.020 7.313 -2.439 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.905 7.829 -0.106 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.325 6.258 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.727 6.114 0.113 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.204 5.432 -0.608 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.359 6.776 -1.413 1.00 0.00 H new ATOM 370 N THR A 24 -4.061 9.960 -3.828 1.00 0.00 N ATOM 371 CA THR A 24 -3.798 10.301 -5.234 1.00 0.00 C ATOM 372 C THR A 24 -2.692 9.439 -5.850 1.00 0.00 C ATOM 373 O THR A 24 -1.611 9.262 -5.291 1.00 0.00 O ATOM 374 CB THR A 24 -3.437 11.793 -5.425 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.518 12.613 -4.963 1.00 0.00 O ATOM 376 CG2 THR A 24 -3.172 12.094 -6.894 1.00 0.00 C ATOM 0 H THR A 24 -3.229 9.842 -3.249 1.00 0.00 H new ATOM 0 HA THR A 24 -4.734 10.096 -5.753 1.00 0.00 H new ATOM 0 HB THR A 24 -2.536 12.009 -4.850 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.287 13.558 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.920 13.148 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.342 11.481 -7.247 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.064 11.868 -7.478 1.00 0.00 H new ATOM 384 N LEU A 25 -2.963 8.902 -7.036 1.00 0.00 N ATOM 385 CA LEU A 25 -1.993 8.060 -7.731 1.00 0.00 C ATOM 386 C LEU A 25 -1.205 8.801 -8.812 1.00 0.00 C ATOM 387 O LEU A 25 -1.779 9.391 -9.730 1.00 0.00 O ATOM 388 CB LEU A 25 -2.702 6.858 -8.361 1.00 0.00 C ATOM 389 CG LEU A 25 -1.782 5.954 -9.186 1.00 0.00 C ATOM 390 CD1 LEU A 25 -0.753 5.331 -8.267 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.596 4.870 -9.860 1.00 0.00 C ATOM 0 H LEU A 25 -3.843 9.034 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.275 7.736 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.163 6.266 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.508 7.219 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.279 6.542 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.092 4.685 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.167 6.117 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.258 4.742 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.936 4.230 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.103 4.272 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.336 5.326 -10.518 1.00 0.00 H new ATOM 403 N ASN A 26 0.120 8.753 -8.709 1.00 0.00 N ATOM 404 CA ASN A 26 1.004 9.399 -9.665 1.00 0.00 C ATOM 405 C ASN A 26 2.098 8.453 -10.170 1.00 0.00 C ATOM 406 O ASN A 26 3.100 8.231 -9.489 1.00 0.00 O ATOM 407 CB ASN A 26 1.612 10.633 -9.022 1.00 0.00 C ATOM 408 CG ASN A 26 2.461 11.449 -9.954 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.719 11.055 -11.096 1.00 0.00 O ATOM 410 ND2 ASN A 26 2.904 12.590 -9.488 1.00 0.00 N ATOM 0 H ASN A 26 0.608 8.264 -7.959 1.00 0.00 H new ATOM 0 HA ASN A 26 0.417 9.688 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.810 11.261 -8.633 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.218 10.325 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.485 13.189 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.668 12.879 -8.539 1.00 0.00 H new ATOM 542 N THR A 35 8.059 -0.334 -13.917 1.00 0.00 N ATOM 543 CA THR A 35 6.929 0.449 -13.443 1.00 0.00 C ATOM 544 C THR A 35 6.982 0.624 -11.932 1.00 0.00 C ATOM 545 O THR A 35 7.032 -0.351 -11.180 1.00 0.00 O ATOM 546 CB THR A 35 5.585 -0.199 -13.824 1.00 0.00 C ATOM 547 OG1 THR A 35 5.490 -0.304 -15.251 1.00 0.00 O ATOM 548 CG2 THR A 35 4.444 0.674 -13.317 1.00 0.00 C ATOM 0 HA THR A 35 6.999 1.423 -13.927 1.00 0.00 H new ATOM 0 HB THR A 35 5.523 -1.191 -13.377 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.390 -0.346 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.491 0.219 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.510 0.766 -12.233 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.514 1.663 -13.770 1.00 0.00 H new ATOM 556 N GLN A 36 6.994 1.889 -11.521 1.00 0.00 N ATOM 557 CA GLN A 36 6.979 2.280 -10.119 1.00 0.00 C ATOM 558 C GLN A 36 5.971 3.412 -9.924 1.00 0.00 C ATOM 559 O GLN A 36 6.030 4.419 -10.632 1.00 0.00 O ATOM 560 CB GLN A 36 8.380 2.683 -9.625 1.00 0.00 C ATOM 561 CG GLN A 36 9.375 1.530 -9.561 1.00 0.00 C ATOM 562 CD GLN A 36 10.765 1.886 -9.050 1.00 0.00 C ATOM 563 OE1 GLN A 36 11.653 2.295 -9.805 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.964 1.732 -7.746 1.00 0.00 N ATOM 0 H GLN A 36 7.015 2.681 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 36 6.674 1.423 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.777 3.455 -10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.290 3.126 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.961 0.752 -8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.473 1.103 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.208 1.392 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.873 1.954 -7.339 1.00 0.00 H new ATOM 573 N TRP A 37 5.048 3.235 -8.982 1.00 0.00 N ATOM 574 CA TRP A 37 4.025 4.244 -8.718 1.00 0.00 C ATOM 575 C TRP A 37 4.178 4.971 -7.395 1.00 0.00 C ATOM 576 O TRP A 37 4.571 4.385 -6.386 1.00 0.00 O ATOM 577 CB TRP A 37 2.626 3.623 -8.725 1.00 0.00 C ATOM 578 CG TRP A 37 2.104 3.199 -10.062 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.677 3.429 -11.268 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.881 2.476 -10.338 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.903 2.914 -12.274 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.800 2.326 -11.723 1.00 0.00 C ATOM 583 CE3 TRP A 37 -0.138 1.960 -9.530 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.257 1.680 -12.326 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -1.205 1.314 -10.137 1.00 0.00 C ATOM 586 CH2 TRP A 37 -1.257 1.182 -11.497 1.00 0.00 C ATOM 0 H TRP A 37 4.987 2.406 -8.391 1.00 0.00 H new ATOM 0 HA TRP A 37 4.157 4.967 -9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.632 2.754 -8.067 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.928 4.342 -8.296 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.613 3.946 -11.416 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.115 2.962 -13.271 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.095 2.063 -8.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.307 1.565 -13.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.002 0.911 -9.530 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.101 0.675 -11.941 1.00 0.00 H new ATOM 597 N ILE A 38 3.862 6.265 -7.401 1.00 0.00 N ATOM 598 CA ILE A 38 3.895 7.064 -6.183 1.00 0.00 C ATOM 599 C ILE A 38 2.485 7.382 -5.705 1.00 0.00 C ATOM 600 O ILE A 38 1.641 7.852 -6.466 1.00 0.00 O ATOM 601 CB ILE A 38 4.688 8.366 -6.366 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.107 8.032 -6.822 1.00 0.00 C ATOM 603 CG2 ILE A 38 4.721 9.138 -5.052 1.00 0.00 C ATOM 604 CD1 ILE A 38 6.866 7.189 -5.824 1.00 0.00 C ATOM 0 H ILE A 38 3.581 6.779 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 38 4.404 6.465 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 38 4.207 8.987 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.062 7.504 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.654 8.959 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.285 10.061 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.703 9.376 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.199 8.529 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.867 6.986 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.941 7.725 -4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.339 6.248 -5.668 1.00 0.00 H new ATOM 616 N VAL A 39 2.207 7.106 -4.438 1.00 0.00 N ATOM 617 CA VAL A 39 0.872 7.400 -3.940 1.00 0.00 C ATOM 618 C VAL A 39 0.867 8.400 -2.794 1.00 0.00 C ATOM 619 O VAL A 39 1.587 8.266 -1.809 1.00 0.00 O ATOM 620 CB VAL A 39 0.147 6.121 -3.499 1.00 0.00 C ATOM 621 CG1 VAL A 39 -1.214 6.484 -2.947 1.00 0.00 C ATOM 622 CG2 VAL A 39 -0.010 5.181 -4.680 1.00 0.00 C ATOM 0 H VAL A 39 2.854 6.698 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 39 0.342 7.853 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 39 0.732 5.621 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.732 5.578 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.094 7.149 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.797 6.987 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.525 4.276 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.591 5.672 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.974 4.919 -5.070 1.00 0.00 H new ATOM 632 N ASP A 40 0.034 9.418 -2.958 1.00 0.00 N ATOM 633 CA ASP A 40 -0.166 10.489 -1.999 1.00 0.00 C ATOM 634 C ASP A 40 -1.166 10.037 -0.953 1.00 0.00 C ATOM 635 O ASP A 40 -2.326 9.813 -1.290 1.00 0.00 O ATOM 636 CB ASP A 40 -0.663 11.753 -2.708 1.00 0.00 C ATOM 637 CG ASP A 40 -0.840 12.959 -1.796 1.00 0.00 C ATOM 638 OD1 ASP A 40 -0.820 12.756 -0.608 1.00 0.00 O ATOM 639 OD2 ASP A 40 -0.987 14.066 -2.269 1.00 0.00 O ATOM 0 H ASP A 40 -0.541 9.522 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 40 0.781 10.725 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.041 12.012 -3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.616 11.534 -3.189 1.00 0.00 H new ATOM 644 N MET A 41 -0.729 9.856 0.294 1.00 0.00 N ATOM 645 CA MET A 41 -1.645 9.436 1.346 1.00 0.00 C ATOM 646 C MET A 41 -1.822 10.416 2.490 1.00 0.00 C ATOM 647 O MET A 41 -0.939 10.552 3.334 1.00 0.00 O ATOM 648 CB MET A 41 -1.153 8.124 1.960 1.00 0.00 C ATOM 649 CG MET A 41 -2.027 7.607 3.098 1.00 0.00 C ATOM 650 SD MET A 41 -1.428 6.059 3.796 1.00 0.00 S ATOM 651 CE MET A 41 -1.797 5.011 2.397 1.00 0.00 C ATOM 0 H MET A 41 0.237 9.992 0.593 1.00 0.00 H new ATOM 0 HA MET A 41 -2.609 9.347 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.104 7.365 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.138 8.266 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.073 8.360 3.885 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.044 7.465 2.732 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.633 3.969 2.670 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.837 5.150 2.103 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.146 5.275 1.563 1.00 0.00 H new ATOM 661 N GLU A 42 -2.964 11.104 2.530 1.00 0.00 N ATOM 662 CA GLU A 42 -3.220 11.997 3.654 1.00 0.00 C ATOM 663 C GLU A 42 -3.840 11.167 4.773 1.00 0.00 C ATOM 664 O GLU A 42 -4.762 10.391 4.520 1.00 0.00 O ATOM 665 CB GLU A 42 -4.128 13.162 3.267 1.00 0.00 C ATOM 666 CG GLU A 42 -4.335 14.171 4.389 1.00 0.00 C ATOM 667 CD GLU A 42 -5.201 15.332 3.985 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.620 15.369 2.852 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.447 16.186 4.804 1.00 0.00 O ATOM 0 H GLU A 42 -3.700 11.063 1.825 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.282 12.444 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.702 13.673 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.097 12.770 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.788 13.668 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.365 14.545 4.717 1.00 0.00 H new ATOM 676 N GLY A 43 -3.330 11.308 5.995 1.00 0.00 N ATOM 677 CA GLY A 43 -3.846 10.529 7.113 1.00 0.00 C ATOM 678 C GLY A 43 -5.308 10.814 7.424 1.00 0.00 C ATOM 679 O GLY A 43 -5.768 11.960 7.416 1.00 0.00 O ATOM 0 H GLY A 43 -2.570 11.946 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.729 9.468 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.246 10.737 7.999 1.00 0.00 H new ATOM 683 N ALA A 44 -6.007 9.737 7.770 1.00 0.00 N ATOM 684 CA ALA A 44 -7.435 9.745 8.047 1.00 0.00 C ATOM 685 C ALA A 44 -7.823 10.485 9.337 1.00 0.00 C ATOM 686 O ALA A 44 -7.081 10.414 10.325 1.00 0.00 O ATOM 687 CB ALA A 44 -7.943 8.314 8.142 1.00 0.00 C ATOM 0 H ALA A 44 -5.584 8.814 7.867 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.895 10.285 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.013 8.321 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.760 7.799 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.421 7.795 8.946 1.00 0.00 H new ATOM 693 N PRO A 45 -8.970 11.185 9.331 1.00 0.00 N ATOM 694 CA PRO A 45 -9.533 11.878 10.467 1.00 0.00 C ATOM 695 C PRO A 45 -9.721 10.992 11.679 1.00 0.00 C ATOM 696 O PRO A 45 -10.263 9.890 11.580 1.00 0.00 O ATOM 697 CB PRO A 45 -10.871 12.357 9.896 1.00 0.00 C ATOM 698 CG PRO A 45 -10.608 12.520 8.429 1.00 0.00 C ATOM 699 CD PRO A 45 -9.667 11.404 8.054 1.00 0.00 C ATOM 0 HA PRO A 45 -8.890 12.673 10.845 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.665 11.633 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.185 13.296 10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.534 12.460 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.165 13.493 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.197 10.514 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.984 11.691 7.255 1.00 0.00 H new ATOM 707 N GLY A 46 -9.287 11.489 12.830 1.00 0.00 N ATOM 708 CA GLY A 46 -9.413 10.747 14.071 1.00 0.00 C ATOM 709 C GLY A 46 -8.196 9.881 14.367 1.00 0.00 C ATOM 710 O GLY A 46 -8.131 9.274 15.438 1.00 0.00 O ATOM 0 H GLY A 46 -8.845 12.403 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.564 11.446 14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.300 10.115 14.023 1.00 0.00 H new ATOM 714 N THR A 47 -7.233 9.803 13.445 1.00 0.00 N ATOM 715 CA THR A 47 -6.060 8.988 13.719 1.00 0.00 C ATOM 716 C THR A 47 -4.902 9.885 14.087 1.00 0.00 C ATOM 717 O THR A 47 -4.947 11.103 13.916 1.00 0.00 O ATOM 718 CB THR A 47 -5.592 8.168 12.508 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.050 9.066 11.531 1.00 0.00 O ATOM 720 CG2 THR A 47 -6.762 7.414 11.897 1.00 0.00 C ATOM 0 H THR A 47 -7.242 10.275 12.541 1.00 0.00 H new ATOM 0 HA THR A 47 -6.350 8.309 14.521 1.00 0.00 H new ATOM 0 HB THR A 47 -4.838 7.449 12.827 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.760 9.653 11.196 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.415 6.837 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.188 6.740 12.640 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.523 8.124 11.573 1.00 0.00 H new ATOM 728 N LEU A 48 -3.806 9.261 14.492 1.00 0.00 N ATOM 729 CA LEU A 48 -2.599 9.976 14.880 1.00 0.00 C ATOM 730 C LEU A 48 -1.791 10.452 13.677 1.00 0.00 C ATOM 731 O LEU A 48 -0.737 11.068 13.844 1.00 0.00 O ATOM 732 CB LEU A 48 -1.714 9.067 15.737 1.00 0.00 C ATOM 733 CG LEU A 48 -2.306 8.644 17.085 1.00 0.00 C ATOM 734 CD1 LEU A 48 -1.366 7.649 17.748 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.505 9.878 17.952 1.00 0.00 C ATOM 0 H LEU A 48 -3.728 8.246 14.561 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.915 10.854 15.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.484 8.169 15.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.769 9.578 15.920 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.275 8.164 16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.780 7.342 18.709 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.250 6.775 17.107 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.393 8.116 17.904 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.926 9.583 18.913 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.545 10.369 18.112 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.186 10.567 17.453 1.00 0.00 H new ATOM 747 N TYR A 49 -2.273 10.160 12.468 1.00 0.00 N ATOM 748 CA TYR A 49 -1.609 10.524 11.243 1.00 0.00 C ATOM 749 C TYR A 49 -2.441 11.585 10.520 1.00 0.00 C ATOM 750 O TYR A 49 -2.025 12.065 9.463 1.00 0.00 O ATOM 751 CB TYR A 49 -1.438 9.233 10.444 1.00 0.00 C ATOM 752 CG TYR A 49 -0.662 8.259 11.300 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.724 8.286 11.389 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.388 7.338 12.037 1.00 0.00 C ATOM 755 CE1 TYR A 49 1.373 7.393 12.224 1.00 0.00 C ATOM 756 CE2 TYR A 49 -0.739 6.453 12.868 1.00 0.00 C ATOM 757 CZ TYR A 49 0.641 6.484 12.965 1.00 0.00 C ATOM 758 OH TYR A 49 1.248 5.594 13.819 1.00 0.00 O ATOM 0 H TYR A 49 -3.149 9.657 12.324 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.627 10.969 11.402 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.410 8.817 10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.908 9.428 9.512 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.292 8.999 10.810 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.465 7.314 11.960 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.450 7.406 12.297 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.306 5.736 13.443 1.00 0.00 H new ATOM 0 HH TYR A 49 2.160 5.896 14.012 1.00 0.00 H new ATOM 768 N GLU A 50 -3.586 11.958 11.119 1.00 0.00 N ATOM 769 CA GLU A 50 -4.542 12.881 10.521 1.00 0.00 C ATOM 770 C GLU A 50 -4.004 14.180 9.974 1.00 0.00 C ATOM 771 O GLU A 50 -3.399 14.985 10.685 1.00 0.00 O ATOM 772 CB GLU A 50 -5.601 13.255 11.556 1.00 0.00 C ATOM 773 CG GLU A 50 -6.625 14.258 11.042 1.00 0.00 C ATOM 774 CD GLU A 50 -7.676 14.613 12.058 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.798 13.911 13.032 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.365 15.586 11.858 1.00 0.00 O ATOM 0 H GLU A 50 -3.868 11.619 12.039 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.919 12.323 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.119 12.351 11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.108 13.669 12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.109 15.166 10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.110 13.849 10.156 1.00 0.00 H new ATOM 783 N GLY A 51 -4.259 14.377 8.683 1.00 0.00 N ATOM 784 CA GLY A 51 -3.876 15.605 8.003 1.00 0.00 C ATOM 785 C GLY A 51 -2.454 15.605 7.458 1.00 0.00 C ATOM 786 O GLY A 51 -2.083 16.514 6.715 1.00 0.00 O ATOM 0 H GLY A 51 -4.731 13.697 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.568 15.781 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.987 16.439 8.696 1.00 0.00 H new ATOM 790 N GLU A 52 -1.646 14.610 7.816 1.00 0.00 N ATOM 791 CA GLU A 52 -0.278 14.590 7.337 1.00 0.00 C ATOM 792 C GLU A 52 -0.182 13.729 6.105 1.00 0.00 C ATOM 793 O GLU A 52 -0.908 12.749 5.968 1.00 0.00 O ATOM 794 CB GLU A 52 0.673 14.066 8.410 1.00 0.00 C ATOM 795 CG GLU A 52 0.778 14.939 9.647 1.00 0.00 C ATOM 796 CD GLU A 52 1.780 14.416 10.637 1.00 0.00 C ATOM 797 OE1 GLU A 52 2.315 13.357 10.410 1.00 0.00 O ATOM 798 OE2 GLU A 52 2.019 15.080 11.617 1.00 0.00 O ATOM 0 H GLU A 52 -1.909 13.831 8.419 1.00 0.00 H new ATOM 0 HA GLU A 52 0.013 15.612 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.346 13.071 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.666 13.957 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.058 15.950 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.199 15.006 10.125 1.00 0.00 H new ATOM 805 N LYS A 53 0.701 14.090 5.189 1.00 0.00 N ATOM 806 CA LYS A 53 0.827 13.259 4.009 1.00 0.00 C ATOM 807 C LYS A 53 2.076 12.409 4.036 1.00 0.00 C ATOM 808 O LYS A 53 3.152 12.861 4.430 1.00 0.00 O ATOM 809 CB LYS A 53 0.800 14.094 2.741 1.00 0.00 C ATOM 810 CG LYS A 53 -0.537 14.756 2.459 1.00 0.00 C ATOM 811 CD LYS A 53 -0.463 15.453 1.117 1.00 0.00 C ATOM 812 CE LYS A 53 -1.807 15.990 0.663 1.00 0.00 C ATOM 813 NZ LYS A 53 -1.719 16.470 -0.742 1.00 0.00 N ATOM 0 H LYS A 53 1.310 14.907 5.233 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.034 12.590 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.567 14.865 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.063 13.459 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.333 14.012 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.776 15.473 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.251 16.275 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.084 14.756 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.564 15.210 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.120 16.805 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.641 16.851 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.998 17.216 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.457 15.678 -1.364 1.00 0.00 H new ATOM 827 N PHE A 54 1.901 11.168 3.602 1.00 0.00 N ATOM 828 CA PHE A 54 2.984 10.208 3.558 1.00 0.00 C ATOM 829 C PHE A 54 2.982 9.690 2.129 1.00 0.00 C ATOM 830 O PHE A 54 1.925 9.622 1.505 1.00 0.00 O ATOM 831 CB PHE A 54 2.623 9.070 4.510 1.00 0.00 C ATOM 832 CG PHE A 54 2.332 9.581 5.890 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.318 9.874 6.813 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.010 9.803 6.245 1.00 0.00 C ATOM 835 CE1 PHE A 54 2.996 10.373 8.059 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.685 10.300 7.488 1.00 0.00 C ATOM 837 CZ PHE A 54 1.678 10.584 8.398 1.00 0.00 C ATOM 0 H PHE A 54 1.007 10.804 3.273 1.00 0.00 H new ATOM 0 HA PHE A 54 3.952 10.623 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.753 8.536 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.444 8.354 4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.354 9.710 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.224 9.583 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.778 10.598 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.350 10.467 7.749 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.424 10.971 9.374 1.00 0.00 H new ATOM 847 N GLN A 55 4.137 9.355 1.572 1.00 0.00 N ATOM 848 CA GLN A 55 4.090 8.849 0.207 1.00 0.00 C ATOM 849 C GLN A 55 4.342 7.352 0.168 1.00 0.00 C ATOM 850 O GLN A 55 5.034 6.825 1.031 1.00 0.00 O ATOM 851 CB GLN A 55 5.107 9.574 -0.674 1.00 0.00 C ATOM 852 CG GLN A 55 4.913 11.076 -0.734 1.00 0.00 C ATOM 853 CD GLN A 55 3.610 11.478 -1.398 1.00 0.00 C ATOM 854 OE1 GLN A 55 3.312 11.060 -2.521 1.00 0.00 O ATOM 855 NE2 GLN A 55 2.826 12.295 -0.705 1.00 0.00 N ATOM 0 H GLN A 55 5.058 9.417 2.006 1.00 0.00 H new ATOM 0 HA GLN A 55 3.089 9.039 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.110 9.362 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.050 9.170 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.939 11.481 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.745 11.523 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.113 12.615 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.936 12.603 -1.097 1.00 0.00 H new ATOM 864 N LEU A 56 3.755 6.666 -0.804 1.00 0.00 N ATOM 865 CA LEU A 56 4.033 5.247 -0.992 1.00 0.00 C ATOM 866 C LEU A 56 4.702 4.977 -2.318 1.00 0.00 C ATOM 867 O LEU A 56 4.435 5.646 -3.310 1.00 0.00 O ATOM 868 CB LEU A 56 2.769 4.396 -0.958 1.00 0.00 C ATOM 869 CG LEU A 56 1.934 4.391 0.313 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.660 3.607 0.053 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.756 3.727 1.398 1.00 0.00 C ATOM 0 H LEU A 56 3.090 7.063 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 56 4.689 4.978 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.127 4.723 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.056 3.366 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 56 1.666 5.401 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.050 3.594 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.101 4.078 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.913 2.585 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.185 3.707 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.998 2.707 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.678 4.288 1.551 1.00 0.00 H new ATOM 883 N LEU A 57 5.568 3.978 -2.326 1.00 0.00 N ATOM 884 CA LEU A 57 6.246 3.516 -3.517 1.00 0.00 C ATOM 885 C LEU A 57 5.825 2.093 -3.817 1.00 0.00 C ATOM 886 O LEU A 57 6.004 1.206 -2.985 1.00 0.00 O ATOM 887 CB LEU A 57 7.764 3.570 -3.350 1.00 0.00 C ATOM 888 CG LEU A 57 8.562 3.003 -4.530 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.305 3.840 -5.772 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.039 3.007 -4.176 1.00 0.00 C ATOM 0 H LEU A 57 5.822 3.458 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 57 5.969 4.173 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.061 4.607 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.036 3.021 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 57 8.248 1.980 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.874 3.434 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.242 3.819 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.615 4.869 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.614 2.605 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.361 4.028 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.203 2.391 -3.292 1.00 0.00 H new ATOM 902 N PHE A 58 5.239 1.891 -4.991 1.00 0.00 N ATOM 903 CA PHE A 58 4.824 0.577 -5.463 1.00 0.00 C ATOM 904 C PHE A 58 5.720 0.110 -6.591 1.00 0.00 C ATOM 905 O PHE A 58 5.644 0.626 -7.703 1.00 0.00 O ATOM 906 CB PHE A 58 3.378 0.607 -5.940 1.00 0.00 C ATOM 907 CG PHE A 58 2.364 0.782 -4.857 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.104 2.007 -4.267 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.645 -0.325 -4.444 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.156 2.096 -3.265 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.701 -0.234 -3.445 1.00 0.00 C ATOM 912 CZ PHE A 58 0.458 0.982 -2.851 1.00 0.00 C ATOM 0 H PHE A 58 5.037 2.644 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 58 4.907 -0.120 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.264 1.418 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.166 -0.321 -6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.639 2.889 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.827 -1.280 -4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.960 3.051 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.156 -1.112 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.277 1.064 -2.064 1.00 0.00 H new ATOM 922 N LYS A 59 6.586 -0.854 -6.306 1.00 0.00 N ATOM 923 CA LYS A 59 7.493 -1.369 -7.321 1.00 0.00 C ATOM 924 C LYS A 59 6.897 -2.623 -7.926 1.00 0.00 C ATOM 925 O LYS A 59 6.722 -3.633 -7.243 1.00 0.00 O ATOM 926 CB LYS A 59 8.858 -1.651 -6.706 1.00 0.00 C ATOM 927 CG LYS A 59 9.950 -2.126 -7.650 1.00 0.00 C ATOM 928 CD LYS A 59 11.229 -2.337 -6.852 1.00 0.00 C ATOM 929 CE LYS A 59 12.381 -2.850 -7.699 1.00 0.00 C ATOM 930 NZ LYS A 59 13.601 -3.071 -6.874 1.00 0.00 N ATOM 0 H LYS A 59 6.679 -1.291 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 59 7.629 -0.628 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.204 -0.741 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.731 -2.403 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.651 -3.054 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.114 -1.391 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.519 -1.395 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.035 -3.045 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.092 -3.783 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.600 -2.134 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.371 -3.421 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.888 -2.174 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.397 -3.772 -6.133 1.00 0.00 H new ATOM 944 N PHE A 60 6.610 -2.588 -9.222 1.00 0.00 N ATOM 945 CA PHE A 60 5.948 -3.744 -9.801 1.00 0.00 C ATOM 946 C PHE A 60 6.886 -4.689 -10.528 1.00 0.00 C ATOM 947 O PHE A 60 7.807 -4.274 -11.233 1.00 0.00 O ATOM 948 CB PHE A 60 4.886 -3.256 -10.778 1.00 0.00 C ATOM 949 CG PHE A 60 3.821 -2.491 -10.061 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.798 -3.130 -9.393 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.866 -1.110 -10.038 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.834 -2.408 -8.720 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.909 -0.384 -9.375 1.00 0.00 C ATOM 954 CZ PHE A 60 1.891 -1.030 -8.716 1.00 0.00 C ATOM 0 H PHE A 60 6.812 -1.818 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 60 5.517 -4.309 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.346 -2.624 -11.537 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.443 -4.106 -11.297 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.751 -4.209 -9.397 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.666 -0.595 -10.549 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.038 -2.920 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.956 0.695 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.136 -0.459 -8.195 1.00 0.00 H new ATOM 964 N SER A 61 6.623 -5.974 -10.327 1.00 0.00 N ATOM 965 CA SER A 61 7.355 -7.065 -10.949 1.00 0.00 C ATOM 966 C SER A 61 6.700 -7.437 -12.261 1.00 0.00 C ATOM 967 O SER A 61 5.596 -6.979 -12.546 1.00 0.00 O ATOM 968 CB SER A 61 7.393 -8.265 -10.024 1.00 0.00 C ATOM 969 OG SER A 61 6.118 -8.818 -9.843 1.00 0.00 O ATOM 0 H SER A 61 5.875 -6.292 -9.711 1.00 0.00 H new ATOM 0 HA SER A 61 8.378 -6.743 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.063 -9.020 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.802 -7.968 -9.058 1.00 0.00 H new ATOM 0 HG SER A 61 6.007 -9.084 -8.906 1.00 0.00 H new ATOM 975 N SER A 62 7.378 -8.256 -13.061 1.00 0.00 N ATOM 976 CA SER A 62 6.795 -8.720 -14.315 1.00 0.00 C ATOM 977 C SER A 62 5.795 -9.840 -14.048 1.00 0.00 C ATOM 978 O SER A 62 4.913 -10.107 -14.866 1.00 0.00 O ATOM 979 CB SER A 62 7.874 -9.208 -15.257 1.00 0.00 C ATOM 980 OG SER A 62 8.482 -10.370 -14.761 1.00 0.00 O ATOM 0 H SER A 62 8.316 -8.607 -12.868 1.00 0.00 H new ATOM 0 HA SER A 62 6.277 -7.883 -14.782 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.443 -9.408 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.624 -8.429 -15.392 1.00 0.00 H new ATOM 0 HG SER A 62 9.175 -10.669 -15.386 1.00 0.00 H new ATOM 986 N ARG A 63 5.960 -10.508 -12.909 1.00 0.00 N ATOM 987 CA ARG A 63 5.056 -11.552 -12.461 1.00 0.00 C ATOM 988 C ARG A 63 3.717 -10.984 -11.994 1.00 0.00 C ATOM 989 O ARG A 63 2.701 -11.655 -12.163 1.00 0.00 O ATOM 990 CB ARG A 63 5.736 -12.360 -11.374 1.00 0.00 C ATOM 991 CG ARG A 63 6.851 -13.257 -11.891 1.00 0.00 C ATOM 992 CD ARG A 63 7.316 -14.214 -10.855 1.00 0.00 C ATOM 993 NE ARG A 63 7.995 -13.521 -9.775 1.00 0.00 N ATOM 994 CZ ARG A 63 9.311 -13.244 -9.728 1.00 0.00 C ATOM 995 NH1 ARG A 63 10.123 -13.616 -10.693 1.00 0.00 N ATOM 996 NH2 ARG A 63 9.754 -12.581 -8.676 1.00 0.00 N ATOM 0 H ARG A 63 6.734 -10.334 -12.268 1.00 0.00 H new ATOM 0 HA ARG A 63 4.827 -12.208 -13.301 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.145 -11.679 -10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.991 -12.975 -10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.499 -13.808 -12.763 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.689 -12.642 -12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.465 -14.768 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.990 -14.943 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 63 7.426 -13.218 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.759 -14.125 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.117 -13.395 -10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.106 -12.300 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.744 -12.350 -8.599 1.00 0.00 H new ATOM 1010 N TYR A 64 3.737 -9.819 -11.332 1.00 0.00 N ATOM 1011 CA TYR A 64 2.549 -9.032 -10.970 1.00 0.00 C ATOM 1012 C TYR A 64 1.374 -9.253 -11.940 1.00 0.00 C ATOM 1013 O TYR A 64 1.538 -9.073 -13.146 1.00 0.00 O ATOM 1014 CB TYR A 64 2.878 -7.540 -10.913 1.00 0.00 C ATOM 1015 CG TYR A 64 1.677 -6.747 -10.469 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.404 -6.636 -9.113 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.836 -6.165 -11.406 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.290 -5.939 -8.693 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.278 -5.474 -10.980 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.550 -5.358 -9.633 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.660 -4.664 -9.213 1.00 0.00 O ATOM 0 H TYR A 64 4.607 -9.385 -11.024 1.00 0.00 H new ATOM 0 HA TYR A 64 2.243 -9.381 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.706 -7.371 -10.225 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.204 -7.197 -11.895 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.062 -7.094 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.052 -6.253 -12.461 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.073 -5.846 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.940 -5.022 -11.704 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.143 -4.318 -9.992 1.00 0.00 H new ATOM 1031 N PRO A 65 0.167 -9.579 -11.476 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.323 -9.713 -10.122 1.00 0.00 C ATOM 1033 C PRO A 65 -0.206 -11.080 -9.489 1.00 0.00 C ATOM 1034 O PRO A 65 -0.935 -11.397 -8.553 1.00 0.00 O ATOM 1035 CB PRO A 65 -1.781 -9.305 -10.341 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.111 -9.834 -11.706 1.00 0.00 C ATOM 1037 CD PRO A 65 -0.854 -9.618 -12.526 1.00 0.00 C ATOM 0 HA PRO A 65 0.256 -9.125 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.433 -9.733 -9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.903 -8.223 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.379 -10.890 -11.666 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.960 -9.306 -12.139 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.682 -10.426 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.891 -8.692 -13.099 1.00 0.00 H new ATOM 1045 N PHE A 66 0.731 -11.891 -9.952 1.00 0.00 N ATOM 1046 CA PHE A 66 0.942 -13.205 -9.371 1.00 0.00 C ATOM 1047 C PHE A 66 2.168 -13.164 -8.454 1.00 0.00 C ATOM 1048 O PHE A 66 2.715 -14.199 -8.073 1.00 0.00 O ATOM 1049 CB PHE A 66 1.127 -14.166 -10.538 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.114 -14.191 -11.381 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.170 -15.033 -11.077 1.00 0.00 C ATOM 1052 CD2 PHE A 66 -0.227 -13.365 -12.489 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -2.312 -15.043 -11.853 1.00 0.00 C ATOM 1054 CE2 PHE A 66 -1.367 -13.371 -13.267 1.00 0.00 C ATOM 1055 CZ PHE A 66 -2.412 -14.209 -12.948 1.00 0.00 C ATOM 0 H PHE A 66 1.355 -11.663 -10.726 1.00 0.00 H new ATOM 0 HA PHE A 66 0.102 -13.530 -8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.981 -13.859 -11.142 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.344 -15.167 -10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.100 -15.690 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.590 -12.707 -12.747 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.128 -15.704 -11.603 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.439 -12.719 -14.125 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.307 -14.214 -13.553 1.00 0.00 H new ATOM 1065 N ASP A 67 2.584 -11.943 -8.116 1.00 0.00 N ATOM 1066 CA ASP A 67 3.708 -11.607 -7.265 1.00 0.00 C ATOM 1067 C ASP A 67 3.458 -10.166 -6.823 1.00 0.00 C ATOM 1068 O ASP A 67 3.410 -9.270 -7.668 1.00 0.00 O ATOM 1069 CB ASP A 67 5.033 -11.793 -7.991 1.00 0.00 C ATOM 1070 CG ASP A 67 6.256 -11.630 -7.099 1.00 0.00 C ATOM 1071 OD1 ASP A 67 6.128 -11.129 -6.008 1.00 0.00 O ATOM 1072 OD2 ASP A 67 7.313 -12.039 -7.522 1.00 0.00 O ATOM 0 H ASP A 67 2.105 -11.110 -8.458 1.00 0.00 H new ATOM 0 HA ASP A 67 3.785 -12.265 -6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.053 -12.786 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.093 -11.073 -8.807 1.00 0.00 H new ATOM 1077 N SER A 68 3.251 -9.960 -5.523 1.00 0.00 N ATOM 1078 CA SER A 68 2.925 -8.645 -4.978 1.00 0.00 C ATOM 1079 C SER A 68 3.993 -7.592 -5.256 1.00 0.00 C ATOM 1080 O SER A 68 5.172 -7.924 -5.382 1.00 0.00 O ATOM 1081 CB SER A 68 2.813 -8.745 -3.465 1.00 0.00 C ATOM 1082 OG SER A 68 4.077 -8.997 -2.914 1.00 0.00 O ATOM 0 H SER A 68 3.305 -10.698 -4.821 1.00 0.00 H new ATOM 0 HA SER A 68 1.995 -8.343 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.406 -7.819 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.122 -9.543 -3.194 1.00 0.00 H new ATOM 0 HG SER A 68 4.010 -9.014 -1.936 1.00 0.00 H new ATOM 1088 N PRO A 69 3.618 -6.312 -5.315 1.00 0.00 N ATOM 1089 CA PRO A 69 4.539 -5.222 -5.515 1.00 0.00 C ATOM 1090 C PRO A 69 5.327 -4.942 -4.251 1.00 0.00 C ATOM 1091 O PRO A 69 4.868 -5.256 -3.152 1.00 0.00 O ATOM 1092 CB PRO A 69 3.581 -4.089 -5.893 1.00 0.00 C ATOM 1093 CG PRO A 69 2.277 -4.446 -5.230 1.00 0.00 C ATOM 1094 CD PRO A 69 2.192 -5.960 -5.280 1.00 0.00 C ATOM 0 HA PRO A 69 5.310 -5.396 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.951 -3.125 -5.543 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.466 -4.013 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.249 -4.086 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.435 -3.989 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.685 -6.375 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.656 -6.315 -6.160 1.00 0.00 H new ATOM 1102 N GLN A 70 6.514 -4.368 -4.392 1.00 0.00 N ATOM 1103 CA GLN A 70 7.246 -4.035 -3.182 1.00 0.00 C ATOM 1104 C GLN A 70 6.601 -2.743 -2.738 1.00 0.00 C ATOM 1105 O GLN A 70 6.596 -1.776 -3.499 1.00 0.00 O ATOM 1106 CB GLN A 70 8.751 -3.883 -3.407 1.00 0.00 C ATOM 1107 CG GLN A 70 9.545 -3.619 -2.140 1.00 0.00 C ATOM 1108 CD GLN A 70 11.040 -3.557 -2.398 1.00 0.00 C ATOM 1109 OE1 GLN A 70 11.490 -3.407 -3.538 1.00 0.00 O ATOM 1110 NE2 GLN A 70 11.824 -3.679 -1.333 1.00 0.00 N ATOM 0 H GLN A 70 6.968 -4.135 -5.275 1.00 0.00 H new ATOM 0 HA GLN A 70 7.188 -4.826 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.130 -4.790 -3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.922 -3.065 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.216 -2.679 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.336 -4.404 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.412 -3.801 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.838 -3.650 -1.440 1.00 0.00 H new ATOM 1119 N VAL A 71 6.026 -2.706 -1.538 1.00 0.00 N ATOM 1120 CA VAL A 71 5.364 -1.465 -1.160 1.00 0.00 C ATOM 1121 C VAL A 71 5.993 -0.880 0.085 1.00 0.00 C ATOM 1122 O VAL A 71 5.989 -1.498 1.151 1.00 0.00 O ATOM 1123 CB VAL A 71 3.866 -1.676 -0.942 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.215 -0.350 -0.581 1.00 0.00 C ATOM 1125 CG2 VAL A 71 3.298 -2.287 -2.200 1.00 0.00 C ATOM 0 H VAL A 71 6.003 -3.463 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 71 5.492 -0.762 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 71 3.669 -2.355 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.147 -0.500 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.664 0.039 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.367 0.363 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.228 -2.450 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.466 -1.613 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.789 -3.240 -2.395 1.00 0.00 H new ATOM 1135 N MET A 72 6.536 0.320 -0.075 1.00 0.00 N ATOM 1136 CA MET A 72 7.220 1.000 1.014 1.00 0.00 C ATOM 1137 C MET A 72 6.869 2.479 1.105 1.00 0.00 C ATOM 1138 O MET A 72 6.462 3.100 0.129 1.00 0.00 O ATOM 1139 CB MET A 72 8.735 0.835 0.839 1.00 0.00 C ATOM 1140 CG MET A 72 9.243 -0.605 0.878 1.00 0.00 C ATOM 1141 SD MET A 72 11.032 -0.746 0.684 1.00 0.00 S ATOM 1142 CE MET A 72 11.649 -0.191 2.268 1.00 0.00 C ATOM 0 H MET A 72 6.515 0.842 -0.951 1.00 0.00 H new ATOM 0 HA MET A 72 6.887 0.541 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.025 1.280 -0.113 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.239 1.402 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.952 -1.059 1.825 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.754 -1.175 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.736 -0.267 2.282 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.355 0.846 2.430 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.232 -0.814 3.059 1.00 0.00 H new ATOM 1152 N PHE A 73 7.004 3.059 2.286 1.00 0.00 N ATOM 1153 CA PHE A 73 6.791 4.488 2.406 1.00 0.00 C ATOM 1154 C PHE A 73 8.020 5.181 1.842 1.00 0.00 C ATOM 1155 O PHE A 73 9.143 4.693 1.966 1.00 0.00 O ATOM 1156 CB PHE A 73 6.504 4.984 3.829 1.00 0.00 C ATOM 1157 CG PHE A 73 5.130 4.727 4.371 1.00 0.00 C ATOM 1158 CD1 PHE A 73 4.107 5.620 4.086 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.844 3.630 5.162 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.828 5.426 4.572 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.563 3.432 5.646 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.559 4.325 5.353 1.00 0.00 C ATOM 0 H PHE A 73 7.253 2.578 3.151 1.00 0.00 H new ATOM 0 HA PHE A 73 5.886 4.731 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.226 4.522 4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.685 6.059 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.314 6.484 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.625 2.924 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.045 6.133 4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.350 2.569 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.562 4.163 5.735 1.00 0.00 H new ATOM 1172 N THR A 74 7.788 6.321 1.215 1.00 0.00 N ATOM 1173 CA THR A 74 8.839 7.123 0.613 1.00 0.00 C ATOM 1174 C THR A 74 8.558 8.611 0.788 1.00 0.00 C ATOM 1175 O THR A 74 7.773 9.008 1.651 1.00 0.00 O ATOM 1176 CB THR A 74 8.992 6.753 -0.885 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.152 7.412 -1.410 1.00 0.00 O ATOM 1178 CG2 THR A 74 7.760 7.129 -1.704 1.00 0.00 C ATOM 0 H THR A 74 6.855 6.720 1.108 1.00 0.00 H new ATOM 0 HA THR A 74 9.779 6.908 1.121 1.00 0.00 H new ATOM 0 HB THR A 74 9.103 5.671 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.258 7.183 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.917 6.850 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.889 6.602 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.593 8.204 -1.638 1.00 0.00 H new ATOM 1186 N GLY A 75 9.197 9.430 -0.039 1.00 0.00 N ATOM 1187 CA GLY A 75 9.021 10.868 0.057 1.00 0.00 C ATOM 1188 C GLY A 75 9.820 11.374 1.247 1.00 0.00 C ATOM 1189 O GLY A 75 10.822 10.775 1.641 1.00 0.00 O ATOM 0 H GLY A 75 9.834 9.125 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.358 11.353 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.966 11.113 0.178 1.00 0.00 H new ATOM 1193 N GLU A 76 9.381 12.493 1.810 1.00 0.00 N ATOM 1194 CA GLU A 76 10.049 13.081 2.965 1.00 0.00 C ATOM 1195 C GLU A 76 9.301 12.851 4.279 1.00 0.00 C ATOM 1196 O GLU A 76 9.538 13.575 5.247 1.00 0.00 O ATOM 1197 CB GLU A 76 10.249 14.583 2.751 1.00 0.00 C ATOM 1198 CG GLU A 76 11.169 14.930 1.589 1.00 0.00 C ATOM 1199 CD GLU A 76 11.378 16.409 1.421 1.00 0.00 C ATOM 1200 OE1 GLU A 76 10.774 17.163 2.145 1.00 0.00 O ATOM 1201 OE2 GLU A 76 12.145 16.786 0.566 1.00 0.00 O ATOM 0 H GLU A 76 8.565 13.012 1.486 1.00 0.00 H new ATOM 0 HA GLU A 76 11.011 12.577 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.277 15.047 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.655 15.018 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.135 14.448 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.751 14.522 0.669 1.00 0.00 H new ATOM 1208 N ASN A 77 8.401 11.869 4.328 1.00 0.00 N ATOM 1209 CA ASN A 77 7.657 11.660 5.564 1.00 0.00 C ATOM 1210 C ASN A 77 7.254 10.203 5.769 1.00 0.00 C ATOM 1211 O ASN A 77 6.320 9.704 5.139 1.00 0.00 O ATOM 1212 CB ASN A 77 6.438 12.563 5.596 1.00 0.00 C ATOM 1213 CG ASN A 77 5.725 12.524 6.917 1.00 0.00 C ATOM 1214 OD1 ASN A 77 6.101 11.753 7.809 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.712 13.340 7.062 1.00 0.00 N ATOM 0 H ASN A 77 8.177 11.233 3.563 1.00 0.00 H new ATOM 0 HA ASN A 77 8.321 11.918 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.743 13.587 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.749 12.265 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.194 13.359 7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.440 13.957 6.296 1.00 0.00 H new ATOM 1222 N ILE A 78 7.999 9.526 6.639 1.00 0.00 N ATOM 1223 CA ILE A 78 7.752 8.137 7.003 1.00 0.00 C ATOM 1224 C ILE A 78 7.001 8.160 8.339 1.00 0.00 C ATOM 1225 O ILE A 78 7.522 8.747 9.287 1.00 0.00 O ATOM 1226 CB ILE A 78 9.069 7.348 7.173 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.947 7.472 5.925 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.762 5.882 7.436 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.305 6.973 4.661 1.00 0.00 C ATOM 0 H ILE A 78 8.802 9.934 7.117 1.00 0.00 H new ATOM 0 HA ILE A 78 7.180 7.645 6.216 1.00 0.00 H new ATOM 0 HB ILE A 78 9.611 7.767 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.220 8.519 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.872 6.920 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.695 5.331 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.169 5.792 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.202 5.471 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.996 7.099 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.057 5.917 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.395 7.541 4.466 1.00 0.00 H new ATOM 1241 N PRO A 79 5.811 7.567 8.474 1.00 0.00 N ATOM 1242 CA PRO A 79 5.080 7.581 9.721 1.00 0.00 C ATOM 1243 C PRO A 79 5.697 6.700 10.797 1.00 0.00 C ATOM 1244 O PRO A 79 6.268 5.650 10.507 1.00 0.00 O ATOM 1245 CB PRO A 79 3.717 7.044 9.266 1.00 0.00 C ATOM 1246 CG PRO A 79 4.010 6.217 8.049 1.00 0.00 C ATOM 1247 CD PRO A 79 5.197 6.856 7.351 1.00 0.00 C ATOM 0 HA PRO A 79 5.056 8.563 10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.249 6.445 10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.030 7.858 9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.235 5.188 8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.145 6.186 7.387 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.867 6.117 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.894 7.529 6.549 1.00 0.00 H new ATOM 1255 N VAL A 80 5.572 7.136 12.046 1.00 0.00 N ATOM 1256 CA VAL A 80 6.065 6.352 13.171 1.00 0.00 C ATOM 1257 C VAL A 80 4.949 5.395 13.528 1.00 0.00 C ATOM 1258 O VAL A 80 3.861 5.842 13.886 1.00 0.00 O ATOM 1259 CB VAL A 80 6.440 7.231 14.375 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.881 6.345 15.530 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.553 8.189 13.976 1.00 0.00 C ATOM 0 H VAL A 80 5.137 8.022 12.303 1.00 0.00 H new ATOM 0 HA VAL A 80 6.981 5.827 12.899 1.00 0.00 H new ATOM 0 HB VAL A 80 5.576 7.814 14.693 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.147 6.967 16.385 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.066 5.677 15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.746 5.756 15.227 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.819 8.813 14.829 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.426 7.620 13.656 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.212 8.822 13.157 1.00 0.00 H new ATOM 1271 N HIS A 81 5.226 4.102 13.448 1.00 0.00 N ATOM 1272 CA HIS A 81 4.203 3.092 13.666 1.00 0.00 C ATOM 1273 C HIS A 81 4.829 1.721 13.909 1.00 0.00 C ATOM 1274 O HIS A 81 5.856 1.432 13.307 1.00 0.00 O ATOM 1275 CB HIS A 81 3.311 3.039 12.425 1.00 0.00 C ATOM 1276 CG HIS A 81 2.086 2.201 12.522 1.00 0.00 C ATOM 1277 ND1 HIS A 81 2.107 0.826 12.417 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.793 2.549 12.693 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.872 0.373 12.523 1.00 0.00 C ATOM 1280 NE2 HIS A 81 0.060 1.397 12.683 1.00 0.00 N ATOM 0 H HIS A 81 6.151 3.728 13.234 1.00 0.00 H new ATOM 0 HA HIS A 81 3.620 3.354 14.549 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.009 4.057 12.178 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.909 2.673 11.591 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.410 3.551 12.815 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.577 -0.665 12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.953 1.339 12.783 1.00 0.00 H new ATOM 1288 N PRO A 82 4.286 0.848 14.761 1.00 0.00 N ATOM 1289 CA PRO A 82 4.819 -0.489 14.970 1.00 0.00 C ATOM 1290 C PRO A 82 5.044 -1.332 13.705 1.00 0.00 C ATOM 1291 O PRO A 82 5.925 -2.193 13.702 1.00 0.00 O ATOM 1292 CB PRO A 82 3.735 -1.070 15.877 1.00 0.00 C ATOM 1293 CG PRO A 82 3.206 0.122 16.636 1.00 0.00 C ATOM 1294 CD PRO A 82 3.224 1.285 15.677 1.00 0.00 C ATOM 0 HA PRO A 82 5.830 -0.479 15.376 1.00 0.00 H new ATOM 0 HB2 PRO A 82 2.949 -1.554 15.298 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.142 -1.823 16.552 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.195 -0.066 16.998 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.824 0.330 17.510 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.268 1.422 15.171 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.462 2.228 16.170 1.00 0.00 H new ATOM 1302 N HIS A 83 4.263 -1.114 12.645 1.00 0.00 N ATOM 1303 CA HIS A 83 4.454 -1.844 11.397 1.00 0.00 C ATOM 1304 C HIS A 83 5.118 -0.996 10.308 1.00 0.00 C ATOM 1305 O HIS A 83 5.134 -1.376 9.136 1.00 0.00 O ATOM 1306 CB HIS A 83 3.118 -2.391 10.887 1.00 0.00 C ATOM 1307 CG HIS A 83 2.533 -3.439 11.785 1.00 0.00 C ATOM 1308 ND1 HIS A 83 3.105 -4.685 11.924 1.00 0.00 N ATOM 1309 CD2 HIS A 83 1.434 -3.445 12.579 1.00 0.00 C ATOM 1310 CE1 HIS A 83 2.388 -5.408 12.766 1.00 0.00 C ATOM 1311 NE2 HIS A 83 1.369 -4.677 13.178 1.00 0.00 N ATOM 0 H HIS A 83 3.497 -0.441 12.629 1.00 0.00 H new ATOM 0 HA HIS A 83 5.129 -2.670 11.620 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.409 -1.569 10.788 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.260 -2.812 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.738 -2.630 12.715 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.600 -6.424 13.066 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.650 -4.979 13.835 1.00 0.00 H new ATOM 1319 N VAL A 84 5.673 0.162 10.671 1.00 0.00 N ATOM 1320 CA VAL A 84 6.366 0.989 9.691 1.00 0.00 C ATOM 1321 C VAL A 84 7.793 1.245 10.156 1.00 0.00 C ATOM 1322 O VAL A 84 8.038 1.758 11.247 1.00 0.00 O ATOM 1323 CB VAL A 84 5.671 2.340 9.443 1.00 0.00 C ATOM 1324 CG1 VAL A 84 6.487 3.132 8.430 1.00 0.00 C ATOM 1325 CG2 VAL A 84 4.260 2.108 8.930 1.00 0.00 C ATOM 0 H VAL A 84 5.656 0.540 11.618 1.00 0.00 H new ATOM 0 HA VAL A 84 6.354 0.438 8.751 1.00 0.00 H new ATOM 0 HB VAL A 84 5.606 2.904 10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.005 4.092 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.490 3.299 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.551 2.572 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.774 3.068 8.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.300 1.547 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.693 1.542 9.669 1.00 0.00 H new ATOM 1335 N TYR A 85 8.744 0.909 9.307 1.00 0.00 N ATOM 1336 CA TYR A 85 10.139 1.091 9.648 1.00 0.00 C ATOM 1337 C TYR A 85 10.601 2.410 9.072 1.00 0.00 C ATOM 1338 O TYR A 85 10.031 2.879 8.089 1.00 0.00 O ATOM 1339 CB TYR A 85 10.941 -0.086 9.123 1.00 0.00 C ATOM 1340 CG TYR A 85 10.553 -1.367 9.833 1.00 0.00 C ATOM 1341 CD1 TYR A 85 9.487 -2.126 9.372 1.00 0.00 C ATOM 1342 CD2 TYR A 85 11.258 -1.787 10.950 1.00 0.00 C ATOM 1343 CE1 TYR A 85 9.122 -3.293 10.009 1.00 0.00 C ATOM 1344 CE2 TYR A 85 10.896 -2.956 11.593 1.00 0.00 C ATOM 1345 CZ TYR A 85 9.835 -3.706 11.127 1.00 0.00 C ATOM 1346 OH TYR A 85 9.480 -4.869 11.771 1.00 0.00 O ATOM 0 H TYR A 85 8.577 0.511 8.383 1.00 0.00 H new ATOM 0 HA TYR A 85 10.285 1.123 10.728 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.774 -0.195 8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.005 0.103 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.936 -1.798 8.503 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.088 -1.202 11.317 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.292 -3.879 9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.445 -3.284 12.463 1.00 0.00 H new ATOM 0 HH TYR A 85 10.078 -5.017 12.533 1.00 0.00 H new ATOM 1356 N SER A 86 11.632 3.005 9.671 1.00 0.00 N ATOM 1357 CA SER A 86 12.137 4.316 9.256 1.00 0.00 C ATOM 1358 C SER A 86 12.720 4.336 7.846 1.00 0.00 C ATOM 1359 O SER A 86 12.880 5.406 7.258 1.00 0.00 O ATOM 1360 CB SER A 86 13.195 4.787 10.231 1.00 0.00 C ATOM 1361 OG SER A 86 14.339 3.982 10.160 1.00 0.00 O ATOM 0 H SER A 86 12.140 2.595 10.455 1.00 0.00 H new ATOM 0 HA SER A 86 11.276 4.984 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.460 5.822 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.795 4.767 11.245 1.00 0.00 H new ATOM 0 HG SER A 86 15.008 4.307 10.798 1.00 0.00 H new ATOM 1367 N ASN A 87 13.044 3.164 7.305 1.00 0.00 N ATOM 1368 CA ASN A 87 13.510 3.047 5.934 1.00 0.00 C ATOM 1369 C ASN A 87 12.346 2.887 4.948 1.00 0.00 C ATOM 1370 O ASN A 87 12.578 2.687 3.756 1.00 0.00 O ATOM 1371 CB ASN A 87 14.472 1.879 5.819 1.00 0.00 C ATOM 1372 CG ASN A 87 13.826 0.542 6.075 1.00 0.00 C ATOM 1373 OD1 ASN A 87 12.599 0.410 6.174 1.00 0.00 O ATOM 1374 ND2 ASN A 87 14.648 -0.471 6.190 1.00 0.00 N ATOM 0 H ASN A 87 12.990 2.276 7.805 1.00 0.00 H new ATOM 0 HA ASN A 87 14.028 3.970 5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.911 1.877 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.289 2.020 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.283 -1.407 6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.654 -0.324 6.102 1.00 0.00 H new ATOM 1381 N GLY A 88 11.105 2.981 5.435 1.00 0.00 N ATOM 1382 CA GLY A 88 9.912 2.870 4.616 1.00 0.00 C ATOM 1383 C GLY A 88 9.269 1.485 4.626 1.00 0.00 C ATOM 1384 O GLY A 88 8.175 1.317 4.091 1.00 0.00 O ATOM 0 H GLY A 88 10.907 3.138 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.180 3.600 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.165 3.133 3.589 1.00 0.00 H new ATOM 1388 N HIS A 89 9.898 0.478 5.220 1.00 0.00 N ATOM 1389 CA HIS A 89 9.289 -0.848 5.155 1.00 0.00 C ATOM 1390 C HIS A 89 7.931 -0.941 5.843 1.00 0.00 C ATOM 1391 O HIS A 89 7.711 -0.446 6.947 1.00 0.00 O ATOM 1392 CB HIS A 89 10.247 -1.896 5.728 1.00 0.00 C ATOM 1393 CG HIS A 89 9.769 -3.303 5.583 1.00 0.00 C ATOM 1394 ND1 HIS A 89 8.813 -3.853 6.412 1.00 0.00 N ATOM 1395 CD2 HIS A 89 10.108 -4.272 4.703 1.00 0.00 C ATOM 1396 CE1 HIS A 89 8.589 -5.103 6.049 1.00 0.00 C ATOM 1397 NE2 HIS A 89 9.361 -5.382 5.015 1.00 0.00 N ATOM 0 H HIS A 89 10.781 0.542 5.726 1.00 0.00 H new ATOM 0 HA HIS A 89 9.104 -1.045 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.213 -1.799 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.408 -1.686 6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.831 -4.189 3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.892 -5.782 6.518 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.397 -6.277 4.527 1.00 0.00 H new ATOM 1405 N ILE A 90 7.000 -1.591 5.150 1.00 0.00 N ATOM 1406 CA ILE A 90 5.635 -1.780 5.625 1.00 0.00 C ATOM 1407 C ILE A 90 5.346 -3.241 5.933 1.00 0.00 C ATOM 1408 O ILE A 90 5.438 -4.094 5.048 1.00 0.00 O ATOM 1409 CB ILE A 90 4.625 -1.281 4.581 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.855 0.203 4.327 1.00 0.00 C ATOM 1411 CG2 ILE A 90 3.205 -1.537 5.050 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.052 0.736 3.176 1.00 0.00 C ATOM 0 H ILE A 90 7.175 -2.005 4.234 1.00 0.00 H new ATOM 0 HA ILE A 90 5.533 -1.201 6.543 1.00 0.00 H new ATOM 0 HB ILE A 90 4.769 -1.826 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.603 0.763 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.914 0.372 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.503 -1.177 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.059 -2.607 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.032 -1.011 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.261 1.798 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.321 0.200 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.990 0.597 3.378 1.00 0.00 H new ATOM 1424 N CYS A 91 4.985 -3.537 7.178 1.00 0.00 N ATOM 1425 CA CYS A 91 4.706 -4.917 7.538 1.00 0.00 C ATOM 1426 C CYS A 91 3.220 -5.255 7.499 1.00 0.00 C ATOM 1427 O CYS A 91 2.496 -5.063 8.476 1.00 0.00 O ATOM 1428 CB CYS A 91 5.251 -5.203 8.937 1.00 0.00 C ATOM 1429 SG CYS A 91 5.014 -6.908 9.492 1.00 0.00 S ATOM 0 H CYS A 91 4.882 -2.859 7.933 1.00 0.00 H new ATOM 0 HA CYS A 91 5.199 -5.543 6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 91 6.316 -4.972 8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.768 -4.531 9.647 1.00 0.00 H new ATOM 0 HG CYS A 91 5.510 -7.049 10.685 1.00 0.00 H new ATOM 1435 N LEU A 92 2.788 -5.765 6.346 1.00 0.00 N ATOM 1436 CA LEU A 92 1.419 -6.219 6.121 1.00 0.00 C ATOM 1437 C LEU A 92 1.378 -7.574 5.440 1.00 0.00 C ATOM 1438 O LEU A 92 2.145 -7.832 4.510 1.00 0.00 O ATOM 1439 CB LEU A 92 0.640 -5.226 5.256 1.00 0.00 C ATOM 1440 CG LEU A 92 0.365 -3.856 5.868 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -0.202 -2.933 4.805 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -0.627 -4.036 7.002 1.00 0.00 C ATOM 0 H LEU A 92 3.390 -5.875 5.530 1.00 0.00 H new ATOM 0 HA LEU A 92 0.959 -6.296 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.190 -5.080 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.316 -5.680 4.993 1.00 0.00 H new ATOM 0 HG LEU A 92 1.284 -3.413 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.399 -1.954 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.516 -2.830 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.131 -3.351 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.840 -3.068 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.550 -4.465 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.204 -4.704 7.753 1.00 0.00 H new ATOM 1454 N SER A 93 0.424 -8.412 5.853 1.00 0.00 N ATOM 1455 CA SER A 93 0.303 -9.747 5.279 1.00 0.00 C ATOM 1456 C SER A 93 -0.108 -9.715 3.823 1.00 0.00 C ATOM 1457 O SER A 93 0.230 -10.624 3.070 1.00 0.00 O ATOM 1458 CB SER A 93 -0.744 -10.571 5.977 1.00 0.00 C ATOM 1459 OG SER A 93 -2.009 -10.035 5.703 1.00 0.00 O ATOM 0 H SER A 93 -0.265 -8.191 6.572 1.00 0.00 H new ATOM 0 HA SER A 93 1.295 -10.183 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.694 -11.606 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.563 -10.576 7.052 1.00 0.00 H new ATOM 0 HG SER A 93 -2.647 -10.763 5.553 1.00 0.00 H new ATOM 1465 N ILE A 94 -0.785 -8.642 3.408 1.00 0.00 N ATOM 1466 CA ILE A 94 -1.240 -8.459 2.035 1.00 0.00 C ATOM 1467 C ILE A 94 -0.095 -8.449 1.036 1.00 0.00 C ATOM 1468 O ILE A 94 -0.302 -8.747 -0.138 1.00 0.00 O ATOM 1469 CB ILE A 94 -2.046 -7.147 1.882 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -2.812 -7.200 0.565 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -1.157 -5.911 1.902 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.859 -6.121 0.406 1.00 0.00 C ATOM 0 H ILE A 94 -1.034 -7.869 4.026 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.879 -9.315 1.817 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.726 -7.067 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.101 -7.123 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.295 -8.173 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.773 -5.018 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.619 -5.865 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.443 -5.963 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.354 -6.234 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.595 -6.208 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.383 -5.142 0.457 1.00 0.00 H new ATOM 1484 N LEU A 95 1.112 -8.110 1.485 1.00 0.00 N ATOM 1485 CA LEU A 95 2.251 -8.068 0.593 1.00 0.00 C ATOM 1486 C LEU A 95 2.972 -9.415 0.533 1.00 0.00 C ATOM 1487 O LEU A 95 3.795 -9.642 -0.356 1.00 0.00 O ATOM 1488 CB LEU A 95 3.195 -6.964 1.083 1.00 0.00 C ATOM 1489 CG LEU A 95 2.572 -5.560 1.069 1.00 0.00 C ATOM 1490 CD1 LEU A 95 3.542 -4.550 1.673 1.00 0.00 C ATOM 1491 CD2 LEU A 95 2.209 -5.212 -0.369 1.00 0.00 C ATOM 0 H LEU A 95 1.318 -7.864 2.453 1.00 0.00 H new ATOM 0 HA LEU A 95 1.912 -7.853 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.516 -7.198 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.089 -6.960 0.459 1.00 0.00 H new ATOM 0 HG LEU A 95 1.667 -5.534 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.090 -3.558 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.766 -4.831 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.464 -4.538 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.764 -4.217 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.108 -5.228 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.495 -5.941 -0.751 1.00 0.00 H new ATOM 1503 N THR A 96 2.650 -10.329 1.450 1.00 0.00 N ATOM 1504 CA THR A 96 3.302 -11.628 1.498 1.00 0.00 C ATOM 1505 C THR A 96 2.283 -12.755 1.378 1.00 0.00 C ATOM 1506 O THR A 96 1.754 -13.032 0.301 1.00 0.00 O ATOM 1507 CB THR A 96 4.105 -11.826 2.799 1.00 0.00 C ATOM 1508 OG1 THR A 96 3.229 -11.687 3.924 1.00 0.00 O ATOM 1509 CG2 THR A 96 5.214 -10.793 2.908 1.00 0.00 C ATOM 0 H THR A 96 1.940 -10.188 2.168 1.00 0.00 H new ATOM 0 HA THR A 96 3.990 -11.657 0.653 1.00 0.00 H new ATOM 0 HB THR A 96 4.548 -12.822 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.737 -11.814 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.768 -10.951 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.890 -10.893 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.781 -9.793 2.911 1.00 0.00 H new ATOM 1517 N GLU A 97 1.981 -13.364 2.526 1.00 0.00 N ATOM 1518 CA GLU A 97 1.129 -14.543 2.642 1.00 0.00 C ATOM 1519 C GLU A 97 -0.317 -14.379 2.194 1.00 0.00 C ATOM 1520 O GLU A 97 -0.921 -15.347 1.729 1.00 0.00 O ATOM 1521 CB GLU A 97 1.142 -15.009 4.097 1.00 0.00 C ATOM 1522 CG GLU A 97 2.487 -15.571 4.538 1.00 0.00 C ATOM 1523 CD GLU A 97 2.519 -16.000 5.978 1.00 0.00 C ATOM 1524 OE1 GLU A 97 1.552 -15.793 6.671 1.00 0.00 O ATOM 1525 OE2 GLU A 97 3.522 -16.537 6.385 1.00 0.00 O ATOM 0 H GLU A 97 2.334 -13.039 3.426 1.00 0.00 H new ATOM 0 HA GLU A 97 1.555 -15.271 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.877 -14.171 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.375 -15.771 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.739 -16.424 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.257 -14.817 4.375 1.00 0.00 H new ATOM 1532 N ASP A 98 -0.879 -13.184 2.323 1.00 0.00 N ATOM 1533 CA ASP A 98 -2.248 -12.969 1.891 1.00 0.00 C ATOM 1534 C ASP A 98 -2.335 -12.381 0.482 1.00 0.00 C ATOM 1535 O ASP A 98 -3.430 -12.017 0.053 1.00 0.00 O ATOM 1536 CB ASP A 98 -3.008 -12.095 2.898 1.00 0.00 C ATOM 1537 CG ASP A 98 -3.244 -12.819 4.227 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -3.340 -14.023 4.197 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -3.334 -12.183 5.254 1.00 0.00 O ATOM 0 H ASP A 98 -0.416 -12.365 2.716 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.724 -13.949 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.445 -11.179 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.967 -11.801 2.471 1.00 0.00 H new ATOM 1544 N TRP A 99 -1.216 -12.274 -0.243 1.00 0.00 N ATOM 1545 CA TRP A 99 -1.306 -11.759 -1.603 1.00 0.00 C ATOM 1546 C TRP A 99 -2.024 -12.725 -2.537 1.00 0.00 C ATOM 1547 O TRP A 99 -1.832 -13.940 -2.486 1.00 0.00 O ATOM 1548 CB TRP A 99 0.055 -11.441 -2.226 1.00 0.00 C ATOM 1549 CG TRP A 99 -0.132 -10.957 -3.641 1.00 0.00 C ATOM 1550 CD1 TRP A 99 0.090 -11.693 -4.769 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.609 -9.663 -4.101 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -0.217 -10.955 -5.880 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -0.640 -9.713 -5.496 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -1.009 -8.485 -3.456 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.059 -8.639 -6.264 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -1.428 -7.405 -4.224 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.451 -7.480 -5.594 1.00 0.00 C ATOM 0 H TRP A 99 -0.280 -12.526 0.075 1.00 0.00 H new ATOM 0 HA TRP A 99 -1.875 -10.835 -1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 99 0.566 -10.680 -1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 99 0.686 -12.330 -2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 99 0.455 -12.709 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -0.142 -11.281 -6.844 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.992 -8.417 -2.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.081 -8.697 -7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.740 -6.494 -3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.779 -6.624 -6.165 1.00 0.00 H new ATOM 1568 N SER A 100 -2.843 -12.146 -3.401 1.00 0.00 N ATOM 1569 CA SER A 100 -3.628 -12.830 -4.406 1.00 0.00 C ATOM 1570 C SER A 100 -3.821 -11.928 -5.617 1.00 0.00 C ATOM 1571 O SER A 100 -3.958 -10.720 -5.443 1.00 0.00 O ATOM 1572 CB SER A 100 -4.993 -13.210 -3.866 1.00 0.00 C ATOM 1573 OG SER A 100 -5.791 -13.775 -4.873 1.00 0.00 O ATOM 0 H SER A 100 -2.982 -11.136 -3.418 1.00 0.00 H new ATOM 0 HA SER A 100 -3.090 -13.735 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.879 -13.919 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.486 -12.327 -3.458 1.00 0.00 H new ATOM 0 HG SER A 100 -6.666 -14.014 -4.502 1.00 0.00 H new ATOM 1579 N PRO A 101 -3.834 -12.472 -6.842 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.120 -11.768 -8.083 1.00 0.00 C ATOM 1581 C PRO A 101 -5.462 -11.035 -8.082 1.00 0.00 C ATOM 1582 O PRO A 101 -5.665 -10.111 -8.869 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.082 -12.918 -9.094 1.00 0.00 C ATOM 1584 CG PRO A 101 -3.146 -13.920 -8.481 1.00 0.00 C ATOM 1585 CD PRO A 101 -3.348 -13.848 -6.991 1.00 0.00 C ATOM 0 HA PRO A 101 -3.418 -10.960 -8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.073 -13.343 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.723 -12.581 -10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.357 -14.923 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.112 -13.694 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.072 -14.582 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.423 -14.021 -6.440 1.00 0.00 H new ATOM 1593 N ALA A 102 -6.383 -11.459 -7.210 1.00 0.00 N ATOM 1594 CA ALA A 102 -7.689 -10.835 -7.045 1.00 0.00 C ATOM 1595 C ALA A 102 -7.605 -9.506 -6.281 1.00 0.00 C ATOM 1596 O ALA A 102 -8.596 -8.778 -6.209 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.618 -11.788 -6.311 1.00 0.00 C ATOM 0 H ALA A 102 -6.235 -12.257 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.079 -10.617 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.595 -11.321 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.725 -12.707 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.201 -12.020 -5.331 1.00 0.00 H new ATOM 1603 N LEU A 103 -6.445 -9.194 -5.703 1.00 0.00 N ATOM 1604 CA LEU A 103 -6.228 -7.966 -4.958 1.00 0.00 C ATOM 1605 C LEU A 103 -5.808 -6.835 -5.879 1.00 0.00 C ATOM 1606 O LEU A 103 -5.618 -7.029 -7.083 1.00 0.00 O ATOM 1607 CB LEU A 103 -5.174 -8.175 -3.877 1.00 0.00 C ATOM 1608 CG LEU A 103 -5.535 -9.259 -2.867 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -4.403 -9.385 -1.877 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -6.839 -8.897 -2.178 1.00 0.00 C ATOM 0 H LEU A 103 -5.624 -9.798 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.171 -7.693 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.227 -8.434 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.019 -7.235 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.677 -10.219 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.643 -10.157 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.488 -9.656 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.259 -8.433 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.097 -9.672 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.725 -7.944 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.632 -8.815 -2.921 1.00 0.00 H new ATOM 1622 N SER A 104 -5.687 -5.648 -5.295 1.00 0.00 N ATOM 1623 CA SER A 104 -5.356 -4.458 -6.058 1.00 0.00 C ATOM 1624 C SER A 104 -4.449 -3.489 -5.327 1.00 0.00 C ATOM 1625 O SER A 104 -4.314 -3.586 -4.107 1.00 0.00 O ATOM 1626 CB SER A 104 -6.656 -3.754 -6.384 1.00 0.00 C ATOM 1627 OG SER A 104 -7.285 -3.274 -5.225 1.00 0.00 O ATOM 0 H SER A 104 -5.814 -5.488 -4.296 1.00 0.00 H new ATOM 0 HA SER A 104 -4.809 -4.777 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.461 -2.925 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.323 -4.442 -6.903 1.00 0.00 H new ATOM 0 HG SER A 104 -8.120 -2.823 -5.469 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.868 -2.555 -6.081 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.010 -1.498 -5.552 1.00 0.00 C ATOM 1635 C VAL A 105 -3.831 -0.699 -4.572 1.00 0.00 C ATOM 1636 O VAL A 105 -3.337 -0.354 -3.498 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.459 -0.606 -6.675 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.760 0.625 -6.126 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.486 -1.441 -7.487 1.00 0.00 C ATOM 0 H VAL A 105 -3.983 -2.512 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.142 -1.932 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.283 -0.251 -7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.385 1.229 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.465 1.212 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.927 0.319 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.075 -0.837 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.677 -1.785 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.007 -2.302 -7.906 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.067 -0.406 -4.980 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.035 0.263 -4.133 1.00 0.00 C ATOM 1651 C GLN A 106 -6.199 -0.456 -2.799 1.00 0.00 C ATOM 1652 O GLN A 106 -6.130 0.203 -1.763 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.399 0.334 -4.814 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.443 1.070 -3.989 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.806 1.121 -4.654 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.961 0.764 -5.825 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.811 1.564 -3.908 1.00 0.00 N ATOM 0 H GLN A 106 -5.418 -0.630 -5.911 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.656 1.270 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.291 0.831 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.751 -0.678 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.538 0.584 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.099 2.087 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.643 1.850 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.751 1.618 -4.299 1.00 0.00 H new ATOM 1666 N SER A 107 -6.420 -1.779 -2.817 1.00 0.00 N ATOM 1667 CA SER A 107 -6.604 -2.527 -1.573 1.00 0.00 C ATOM 1668 C SER A 107 -5.349 -2.552 -0.707 1.00 0.00 C ATOM 1669 O SER A 107 -5.463 -2.669 0.516 1.00 0.00 O ATOM 1670 CB SER A 107 -6.998 -3.964 -1.871 1.00 0.00 C ATOM 1671 OG SER A 107 -5.921 -4.671 -2.420 1.00 0.00 O ATOM 0 H SER A 107 -6.474 -2.342 -3.666 1.00 0.00 H new ATOM 0 HA SER A 107 -7.393 -2.011 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.330 -4.452 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.840 -3.979 -2.563 1.00 0.00 H new ATOM 0 HG SER A 107 -5.306 -4.044 -2.856 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.167 -2.454 -1.322 1.00 0.00 N ATOM 1678 CA VAL A 108 -2.936 -2.367 -0.547 1.00 0.00 C ATOM 1679 C VAL A 108 -2.886 -1.020 0.146 1.00 0.00 C ATOM 1680 O VAL A 108 -2.539 -0.966 1.324 1.00 0.00 O ATOM 1681 CB VAL A 108 -1.668 -2.554 -1.392 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -0.466 -2.266 -0.508 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -1.587 -3.975 -1.932 1.00 0.00 C ATOM 0 H VAL A 108 -4.041 -2.433 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.952 -3.184 0.175 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.688 -1.873 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.449 -2.392 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.523 -1.242 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.461 -2.957 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.681 -4.087 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.563 -4.679 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.458 -4.178 -2.555 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.221 0.051 -0.576 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.246 1.377 0.027 1.00 0.00 C ATOM 1695 C CYS A 109 -4.246 1.427 1.166 1.00 0.00 C ATOM 1696 O CYS A 109 -3.944 2.007 2.205 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.640 2.460 -0.975 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.427 2.865 -2.248 1.00 0.00 S ATOM 0 H CYS A 109 -3.475 0.024 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.234 1.566 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.560 2.148 -1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.868 3.370 -0.420 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.903 3.795 -3.021 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.417 0.823 0.968 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.451 0.767 1.988 1.00 0.00 C ATOM 1706 C LEU A 110 -5.993 -0.034 3.197 1.00 0.00 C ATOM 1707 O LEU A 110 -6.345 0.320 4.324 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.720 0.153 1.391 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.447 1.015 0.348 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.558 0.197 -0.295 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.016 2.248 1.030 1.00 0.00 C ATOM 0 H LEU A 110 -5.671 0.360 0.095 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.661 1.782 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.459 -0.800 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.414 -0.065 2.203 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.752 1.331 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.076 0.806 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.130 -0.680 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.265 -0.122 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.533 2.864 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.718 1.943 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.205 2.822 1.479 1.00 0.00 H new ATOM 1723 N SER A 111 -5.234 -1.110 2.966 1.00 0.00 N ATOM 1724 CA SER A 111 -4.681 -1.907 4.052 1.00 0.00 C ATOM 1725 C SER A 111 -3.722 -1.059 4.879 1.00 0.00 C ATOM 1726 O SER A 111 -3.762 -1.127 6.107 1.00 0.00 O ATOM 1727 CB SER A 111 -3.967 -3.131 3.503 1.00 0.00 C ATOM 1728 OG SER A 111 -4.869 -3.994 2.867 1.00 0.00 O ATOM 0 H SER A 111 -4.992 -1.445 2.034 1.00 0.00 H new ATOM 0 HA SER A 111 -5.496 -2.245 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.196 -2.821 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.464 -3.658 4.314 1.00 0.00 H new ATOM 0 HG SER A 111 -5.145 -3.606 2.011 1.00 0.00 H new ATOM 1734 N ILE A 112 -2.893 -0.263 4.201 1.00 0.00 N ATOM 1735 CA ILE A 112 -1.940 0.653 4.820 1.00 0.00 C ATOM 1736 C ILE A 112 -2.671 1.729 5.619 1.00 0.00 C ATOM 1737 O ILE A 112 -2.224 2.096 6.707 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.028 1.269 3.750 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.141 0.172 3.173 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.165 2.351 4.368 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.583 0.569 1.919 1.00 0.00 C ATOM 0 H ILE A 112 -2.867 -0.239 3.182 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.314 0.095 5.516 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.634 1.712 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.591 -0.123 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.754 -0.705 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.480 2.784 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.802 3.129 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.449 1.919 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.192 -0.265 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.141 0.835 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.224 1.426 2.125 1.00 0.00 H new ATOM 1753 N ILE A 113 -3.759 2.263 5.066 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.574 3.244 5.771 1.00 0.00 C ATOM 1755 C ILE A 113 -5.143 2.659 7.053 1.00 0.00 C ATOM 1756 O ILE A 113 -5.059 3.311 8.096 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.743 3.741 4.897 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.205 4.573 3.735 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.714 4.556 5.740 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.222 4.851 2.655 1.00 0.00 C ATOM 0 H ILE A 113 -4.094 2.031 4.131 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.920 4.083 6.007 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.278 2.883 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.834 5.522 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.354 4.054 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.536 4.903 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.107 3.935 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.194 5.415 6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.762 5.447 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.577 3.908 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.063 5.399 3.080 1.00 0.00 H new ATOM 1772 N SER A 114 -5.726 1.457 6.978 1.00 0.00 N ATOM 1773 CA SER A 114 -6.290 0.834 8.170 1.00 0.00 C ATOM 1774 C SER A 114 -5.208 0.411 9.154 1.00 0.00 C ATOM 1775 O SER A 114 -5.482 0.327 10.349 1.00 0.00 O ATOM 1776 CB SER A 114 -7.115 -0.382 7.805 1.00 0.00 C ATOM 1777 OG SER A 114 -6.303 -1.425 7.344 1.00 0.00 O ATOM 0 H SER A 114 -5.817 0.910 6.122 1.00 0.00 H new ATOM 0 HA SER A 114 -6.924 1.584 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.681 -0.715 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.840 -0.115 7.036 1.00 0.00 H new ATOM 0 HG SER A 114 -5.489 -1.054 6.944 1.00 0.00 H new ATOM 1783 N MET A 115 -4.002 0.131 8.656 1.00 0.00 N ATOM 1784 CA MET A 115 -2.842 -0.169 9.481 1.00 0.00 C ATOM 1785 C MET A 115 -2.510 1.017 10.361 1.00 0.00 C ATOM 1786 O MET A 115 -2.367 0.874 11.578 1.00 0.00 O ATOM 1787 CB MET A 115 -1.639 -0.511 8.607 1.00 0.00 C ATOM 1788 CG MET A 115 -0.350 -0.795 9.354 1.00 0.00 C ATOM 1789 SD MET A 115 1.048 -1.003 8.240 1.00 0.00 S ATOM 1790 CE MET A 115 1.187 0.691 7.680 1.00 0.00 C ATOM 0 H MET A 115 -3.807 0.107 7.655 1.00 0.00 H new ATOM 0 HA MET A 115 -3.078 -1.029 10.108 1.00 0.00 H new ATOM 0 HB2 MET A 115 -1.888 -1.383 8.002 1.00 0.00 H new ATOM 0 HB3 MET A 115 -1.465 0.316 7.919 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.144 0.023 10.044 1.00 0.00 H new ATOM 0 HG3 MET A 115 -0.471 -1.696 9.955 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.135 0.825 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 115 0.365 0.918 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 115 1.146 1.362 8.538 1.00 0.00 H new ATOM 1800 N LEU A 116 -2.384 2.182 9.722 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.095 3.415 10.433 1.00 0.00 C ATOM 1802 C LEU A 116 -3.250 3.782 11.365 1.00 0.00 C ATOM 1803 O LEU A 116 -3.017 4.276 12.468 1.00 0.00 O ATOM 1804 CB LEU A 116 -1.830 4.556 9.436 1.00 0.00 C ATOM 1805 CG LEU A 116 -0.544 4.468 8.590 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -0.535 5.613 7.584 1.00 0.00 C ATOM 1807 CD2 LEU A 116 0.681 4.526 9.486 1.00 0.00 C ATOM 0 H LEU A 116 -2.479 2.291 8.712 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.200 3.263 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.679 4.614 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.804 5.492 9.993 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.520 3.519 8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.371 5.560 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.408 5.535 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.562 6.564 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.582 4.463 8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.683 5.465 10.039 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.659 3.692 10.187 1.00 0.00 H new ATOM 1819 N SER A 117 -4.491 3.543 10.939 1.00 0.00 N ATOM 1820 CA SER A 117 -5.656 3.810 11.774 1.00 0.00 C ATOM 1821 C SER A 117 -5.711 2.966 13.043 1.00 0.00 C ATOM 1822 O SER A 117 -5.947 3.496 14.131 1.00 0.00 O ATOM 1823 CB SER A 117 -6.925 3.577 10.979 1.00 0.00 C ATOM 1824 OG SER A 117 -8.058 3.814 11.770 1.00 0.00 O ATOM 0 H SER A 117 -4.712 3.164 10.018 1.00 0.00 H new ATOM 0 HA SER A 117 -5.569 4.851 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.940 4.233 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.943 2.553 10.607 1.00 0.00 H new ATOM 0 HG SER A 117 -8.866 3.660 11.238 1.00 0.00 H new ATOM 1830 N SER A 118 -5.518 1.656 12.907 1.00 0.00 N ATOM 1831 CA SER A 118 -5.546 0.758 14.054 1.00 0.00 C ATOM 1832 C SER A 118 -4.462 -0.311 13.985 1.00 0.00 C ATOM 1833 O SER A 118 -4.580 -1.289 13.246 1.00 0.00 O ATOM 1834 CB SER A 118 -6.901 0.089 14.151 1.00 0.00 C ATOM 1835 OG SER A 118 -6.943 -0.802 15.233 1.00 0.00 O ATOM 0 H SER A 118 -5.341 1.195 12.014 1.00 0.00 H new ATOM 0 HA SER A 118 -5.357 1.365 14.939 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.677 0.846 14.267 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.114 -0.446 13.226 1.00 0.00 H new ATOM 0 HG SER A 118 -7.828 -1.221 15.277 1.00 0.00 H new