USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 58 THR OG1 : rot -150:sc= 0.555 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -104:sc= 0.617 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.464 USER MOD Set 3.1: A 33 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.91) USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -28:sc= -0.575 USER MOD Single : A 14 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 17 CYS SG : rot -103:sc= 0.617 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 80:sc= 0.658 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 163:sc= 1.05 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0025 F(o=-1.2,f=-0.0025) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0115) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.0547 (180deg=-0.342) USER MOD Single : A 46 SER OG : rot 156:sc= 0.104 USER MOD Single : A 53 GLN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -40:sc= -0.238 USER MOD Single : A 71 SER OG : rot 71:sc= 0.00311 USER MOD Single : A 74 GLN : amide:sc= -1.95 K(o=-2,f=-9.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -17:sc= 0.103 USER MOD Single : A 80 THR OG1 : rot -71:sc= 2.06 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.966 -1.897 -0.730 1.00 0.00 N ATOM 2 CA GLN A 1 1.577 -0.567 -1.182 1.00 0.00 C ATOM 3 C GLN A 1 0.710 -0.649 -2.434 1.00 0.00 C ATOM 4 O GLN A 1 1.184 -1.025 -3.506 1.00 0.00 O ATOM 5 CB GLN A 1 2.818 0.283 -1.461 1.00 0.00 C ATOM 6 CG GLN A 1 2.537 1.777 -1.497 1.00 0.00 C ATOM 7 CD GLN A 1 3.804 2.609 -1.471 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.799 2.228 -0.853 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.774 3.754 -2.144 1.00 0.00 N ATOM 0 H1 GLN A 1 2.555 -1.815 0.123 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.114 -2.452 -0.511 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.506 -2.374 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 1 0.994 -0.097 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.566 0.081 -0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.249 -0.020 -2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.969 2.015 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.912 2.046 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.928 4.031 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.597 4.356 -2.163 1.00 0.00 H new ATOM 18 N ARG A 2 -0.563 -0.295 -2.290 1.00 0.00 N ATOM 19 CA ARG A 2 -1.497 -0.330 -3.409 1.00 0.00 C ATOM 20 C ARG A 2 -0.975 0.499 -4.579 1.00 0.00 C ATOM 21 O ARG A 2 -1.064 0.084 -5.734 1.00 0.00 O ATOM 22 CB ARG A 2 -2.868 0.189 -2.973 1.00 0.00 C ATOM 23 CG ARG A 2 -2.829 1.587 -2.378 1.00 0.00 C ATOM 24 CD ARG A 2 -3.198 2.642 -3.410 1.00 0.00 C ATOM 25 NE ARG A 2 -2.571 3.930 -3.124 1.00 0.00 N ATOM 26 CZ ARG A 2 -2.936 5.069 -3.701 1.00 0.00 C ATOM 27 NH1 ARG A 2 -3.919 5.080 -4.591 1.00 0.00 N ATOM 28 NH2 ARG A 2 -2.317 6.200 -3.389 1.00 0.00 N ATOM 0 H ARG A 2 -0.971 0.019 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.596 -1.365 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.538 0.188 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.290 -0.497 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.518 1.644 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.831 1.790 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.894 2.303 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.281 2.763 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.811 3.956 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.397 4.212 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.197 5.956 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.560 6.195 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.598 7.074 -3.833 1.00 0.00 H new ATOM 42 N GLU A 3 -0.433 1.673 -4.270 1.00 0.00 N ATOM 43 CA GLU A 3 0.101 2.561 -5.296 1.00 0.00 C ATOM 44 C GLU A 3 1.138 1.840 -6.153 1.00 0.00 C ATOM 45 O GLU A 3 1.162 1.990 -7.374 1.00 0.00 O ATOM 46 CB GLU A 3 0.726 3.801 -4.654 1.00 0.00 C ATOM 47 CG GLU A 3 0.561 5.064 -5.483 1.00 0.00 C ATOM 48 CD GLU A 3 1.681 6.061 -5.256 1.00 0.00 C ATOM 49 OE1 GLU A 3 2.707 5.972 -5.961 1.00 0.00 O ATOM 50 OE2 GLU A 3 1.530 6.931 -4.373 1.00 0.00 O ATOM 0 H GLU A 3 -0.352 2.031 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.724 2.870 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.276 3.958 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.788 3.619 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.525 4.798 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.392 5.532 -5.239 1.00 0.00 H new ATOM 57 N GLU A 4 1.995 1.059 -5.502 1.00 0.00 N ATOM 58 CA GLU A 4 3.035 0.316 -6.204 1.00 0.00 C ATOM 59 C GLU A 4 2.424 -0.697 -7.168 1.00 0.00 C ATOM 60 O GLU A 4 2.888 -0.852 -8.297 1.00 0.00 O ATOM 61 CB GLU A 4 3.945 -0.400 -5.203 1.00 0.00 C ATOM 62 CG GLU A 4 5.082 0.465 -4.688 1.00 0.00 C ATOM 63 CD GLU A 4 6.208 0.610 -5.694 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.423 -0.333 -6.483 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.873 1.667 -5.691 1.00 0.00 O ATOM 0 H GLU A 4 1.989 0.925 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 4 3.628 1.027 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.346 -0.739 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.362 -1.290 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.696 1.453 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.475 0.032 -3.768 1.00 0.00 H new ATOM 72 N MET A 5 1.381 -1.383 -6.713 1.00 0.00 N ATOM 73 CA MET A 5 0.706 -2.381 -7.536 1.00 0.00 C ATOM 74 C MET A 5 0.059 -1.733 -8.755 1.00 0.00 C ATOM 75 O MET A 5 0.148 -2.252 -9.868 1.00 0.00 O ATOM 76 CB MET A 5 -0.352 -3.119 -6.714 1.00 0.00 C ATOM 77 CG MET A 5 0.214 -3.835 -5.498 1.00 0.00 C ATOM 78 SD MET A 5 -1.059 -4.663 -4.525 1.00 0.00 S ATOM 79 CE MET A 5 -0.400 -4.469 -2.871 1.00 0.00 C ATOM 0 H MET A 5 0.985 -1.267 -5.780 1.00 0.00 H new ATOM 0 HA MET A 5 1.452 -3.097 -7.881 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.108 -2.406 -6.386 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.855 -3.846 -7.352 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.952 -4.569 -5.824 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.737 -3.115 -4.868 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.077 -4.931 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.577 -4.949 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.298 -3.408 -2.642 1.00 0.00 H new ATOM 89 N VAL A 6 -0.595 -0.595 -8.538 1.00 0.00 N ATOM 90 CA VAL A 6 -1.257 0.124 -9.620 1.00 0.00 C ATOM 91 C VAL A 6 -0.245 0.638 -10.638 1.00 0.00 C ATOM 92 O VAL A 6 -0.439 0.500 -11.846 1.00 0.00 O ATOM 93 CB VAL A 6 -2.078 1.312 -9.083 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.751 2.056 -10.227 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.106 0.834 -8.069 1.00 0.00 C ATOM 0 H VAL A 6 -0.680 -0.152 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.929 -0.583 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.400 2.002 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.326 2.892 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.992 2.432 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.417 1.378 -10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.677 1.686 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.782 0.123 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.597 0.350 -7.235 1.00 0.00 H new ATOM 105 N LYS A 7 0.835 1.232 -10.143 1.00 0.00 N ATOM 106 CA LYS A 7 1.880 1.766 -11.008 1.00 0.00 C ATOM 107 C LYS A 7 2.513 0.658 -11.844 1.00 0.00 C ATOM 108 O LYS A 7 2.723 0.816 -13.047 1.00 0.00 O ATOM 109 CB LYS A 7 2.954 2.466 -10.173 1.00 0.00 C ATOM 110 CG LYS A 7 2.740 3.964 -10.040 1.00 0.00 C ATOM 111 CD LYS A 7 1.582 4.281 -9.108 1.00 0.00 C ATOM 112 CE LYS A 7 1.146 5.733 -9.235 1.00 0.00 C ATOM 113 NZ LYS A 7 0.188 5.929 -10.358 1.00 0.00 N ATOM 0 H LYS A 7 1.010 1.356 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 7 1.423 2.491 -11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.977 2.021 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.929 2.285 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.650 4.430 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.545 4.393 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.741 3.626 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.876 4.077 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.683 6.056 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.022 6.363 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.085 6.931 -10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.638 5.645 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.659 5.348 -10.197 1.00 0.00 H new ATOM 127 N LYS A 8 2.814 -0.464 -11.200 1.00 0.00 N ATOM 128 CA LYS A 8 3.421 -1.601 -11.884 1.00 0.00 C ATOM 129 C LYS A 8 2.464 -2.188 -12.917 1.00 0.00 C ATOM 130 O LYS A 8 2.850 -2.447 -14.057 1.00 0.00 O ATOM 131 CB LYS A 8 3.819 -2.677 -10.872 1.00 0.00 C ATOM 132 CG LYS A 8 5.053 -3.465 -11.277 1.00 0.00 C ATOM 133 CD LYS A 8 4.977 -4.905 -10.798 1.00 0.00 C ATOM 134 CE LYS A 8 5.577 -5.063 -9.409 1.00 0.00 C ATOM 135 NZ LYS A 8 5.631 -6.490 -8.986 1.00 0.00 N ATOM 0 H LYS A 8 2.648 -0.611 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 8 4.314 -1.249 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.000 -2.206 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.985 -3.366 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.158 -3.446 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.942 -2.989 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.937 -5.231 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.505 -5.551 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.583 -4.643 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.986 -4.494 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.046 -6.555 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.669 -6.884 -8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.216 -7.029 -9.656 1.00 0.00 H new ATOM 149 N CYS A 9 1.216 -2.394 -12.511 1.00 0.00 N ATOM 150 CA CYS A 9 0.204 -2.950 -13.402 1.00 0.00 C ATOM 151 C CYS A 9 0.026 -2.073 -14.637 1.00 0.00 C ATOM 152 O CYS A 9 -0.086 -2.574 -15.757 1.00 0.00 O ATOM 153 CB CYS A 9 -1.129 -3.094 -12.667 1.00 0.00 C ATOM 154 SG CYS A 9 -2.341 -4.121 -13.530 1.00 0.00 S ATOM 0 H CYS A 9 0.881 -2.184 -11.571 1.00 0.00 H new ATOM 0 HA CYS A 9 0.541 -3.935 -13.724 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.944 -3.520 -11.681 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.554 -2.103 -12.511 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.121 -4.068 -14.810 1.00 0.00 H new ATOM 160 N LEU A 10 -0.002 -0.762 -14.425 1.00 0.00 N ATOM 161 CA LEU A 10 -0.169 0.186 -15.521 1.00 0.00 C ATOM 162 C LEU A 10 1.045 0.170 -16.445 1.00 0.00 C ATOM 163 O LEU A 10 0.908 0.192 -17.667 1.00 0.00 O ATOM 164 CB LEU A 10 -0.387 1.597 -14.972 1.00 0.00 C ATOM 165 CG LEU A 10 -1.801 1.916 -14.485 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.856 3.312 -13.885 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.801 1.783 -15.624 1.00 0.00 C ATOM 0 H LEU A 10 0.089 -0.331 -13.505 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.045 -0.113 -16.097 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.305 1.754 -14.145 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.122 2.313 -15.750 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.068 1.198 -13.709 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.870 3.522 -13.544 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.169 3.372 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.568 4.044 -14.640 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.802 2.014 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.537 2.477 -16.422 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.781 0.763 -16.008 1.00 0.00 H new ATOM 179 N GLY A 11 2.234 0.130 -15.851 1.00 0.00 N ATOM 180 CA GLY A 11 3.455 0.109 -16.635 1.00 0.00 C ATOM 181 C GLY A 11 3.545 -1.108 -17.535 1.00 0.00 C ATOM 182 O GLY A 11 3.917 -0.997 -18.703 1.00 0.00 O ATOM 0 H GLY A 11 2.373 0.112 -14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.508 1.012 -17.243 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.314 0.126 -15.964 1.00 0.00 H new ATOM 186 N GLU A 12 3.205 -2.271 -16.991 1.00 0.00 N ATOM 187 CA GLU A 12 3.252 -3.514 -17.753 1.00 0.00 C ATOM 188 C GLU A 12 2.106 -3.578 -18.759 1.00 0.00 C ATOM 189 O GLU A 12 2.273 -4.071 -19.876 1.00 0.00 O ATOM 190 CB GLU A 12 3.187 -4.718 -16.812 1.00 0.00 C ATOM 191 CG GLU A 12 1.886 -4.813 -16.033 1.00 0.00 C ATOM 192 CD GLU A 12 1.857 -5.998 -15.087 1.00 0.00 C ATOM 193 OE1 GLU A 12 1.750 -7.143 -15.574 1.00 0.00 O ATOM 194 OE2 GLU A 12 1.942 -5.781 -13.860 1.00 0.00 O ATOM 0 H GLU A 12 2.894 -2.379 -16.026 1.00 0.00 H new ATOM 0 HA GLU A 12 4.195 -3.540 -18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.320 -5.630 -17.393 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.018 -4.664 -16.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.740 -3.895 -15.464 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.053 -4.891 -16.732 1.00 0.00 H new ATOM 201 N LEU A 13 0.943 -3.079 -18.355 1.00 0.00 N ATOM 202 CA LEU A 13 -0.231 -3.079 -19.221 1.00 0.00 C ATOM 203 C LEU A 13 0.020 -2.257 -20.481 1.00 0.00 C ATOM 204 O LEU A 13 -0.326 -2.674 -21.587 1.00 0.00 O ATOM 205 CB LEU A 13 -1.443 -2.525 -18.469 1.00 0.00 C ATOM 206 CG LEU A 13 -2.350 -3.559 -17.802 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.476 -2.873 -17.045 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.911 -4.524 -18.837 1.00 0.00 C ATOM 0 H LEU A 13 0.788 -2.669 -17.434 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.433 -4.108 -19.517 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.086 -1.836 -17.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.043 -1.942 -19.167 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.755 -4.129 -17.088 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.111 -3.625 -16.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.055 -2.224 -16.277 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.070 -2.277 -17.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.554 -5.253 -18.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.490 -3.969 -19.575 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.091 -5.042 -19.334 1.00 0.00 H new ATOM 220 N THR A 14 0.626 -1.087 -20.306 1.00 0.00 N ATOM 221 CA THR A 14 0.925 -0.206 -21.429 1.00 0.00 C ATOM 222 C THR A 14 1.828 -0.897 -22.444 1.00 0.00 C ATOM 223 O THR A 14 1.648 -0.746 -23.652 1.00 0.00 O ATOM 224 CB THR A 14 1.603 1.094 -20.957 1.00 0.00 C ATOM 225 OG1 THR A 14 0.824 1.704 -19.922 1.00 0.00 O ATOM 226 CG2 THR A 14 1.769 2.068 -22.115 1.00 0.00 C ATOM 0 H THR A 14 0.919 -0.727 -19.398 1.00 0.00 H new ATOM 0 HA THR A 14 -0.026 0.039 -21.901 1.00 0.00 H new ATOM 0 HB THR A 14 2.590 0.844 -20.569 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.950 1.211 -19.084 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.250 2.979 -21.758 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.386 1.611 -22.889 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.790 2.312 -22.528 1.00 0.00 H new ATOM 234 N GLU A 15 2.799 -1.656 -21.946 1.00 0.00 N ATOM 235 CA GLU A 15 3.731 -2.370 -22.812 1.00 0.00 C ATOM 236 C GLU A 15 3.023 -3.494 -23.563 1.00 0.00 C ATOM 237 O GLU A 15 3.187 -3.647 -24.773 1.00 0.00 O ATOM 238 CB GLU A 15 4.889 -2.941 -21.991 1.00 0.00 C ATOM 239 CG GLU A 15 5.940 -1.907 -21.621 1.00 0.00 C ATOM 240 CD GLU A 15 6.843 -1.551 -22.785 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.921 -2.350 -23.742 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.473 -0.473 -22.740 1.00 0.00 O ATOM 0 H GLU A 15 2.961 -1.792 -20.948 1.00 0.00 H new ATOM 0 HA GLU A 15 4.126 -1.662 -23.540 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.492 -3.386 -21.079 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.364 -3.743 -22.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.446 -1.005 -21.260 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.546 -2.288 -20.799 1.00 0.00 H new ATOM 249 N VAL A 16 2.234 -4.279 -22.835 1.00 0.00 N ATOM 250 CA VAL A 16 1.500 -5.389 -23.431 1.00 0.00 C ATOM 251 C VAL A 16 0.485 -4.890 -24.454 1.00 0.00 C ATOM 252 O VAL A 16 0.398 -5.416 -25.564 1.00 0.00 O ATOM 253 CB VAL A 16 0.767 -6.217 -22.359 1.00 0.00 C ATOM 254 CG1 VAL A 16 -0.019 -7.349 -23.003 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.755 -6.757 -21.336 1.00 0.00 C ATOM 0 H VAL A 16 2.087 -4.166 -21.832 1.00 0.00 H new ATOM 0 HA VAL A 16 2.234 -6.022 -23.930 1.00 0.00 H new ATOM 0 HB VAL A 16 0.062 -5.567 -21.841 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.530 -7.923 -22.230 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.754 -6.935 -23.693 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.663 -8.002 -23.548 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.220 -7.340 -20.586 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.486 -7.393 -21.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.268 -5.926 -20.852 1.00 0.00 H new ATOM 265 N CYS A 17 -0.279 -3.873 -24.073 1.00 0.00 N ATOM 266 CA CYS A 17 -1.290 -3.303 -24.958 1.00 0.00 C ATOM 267 C CYS A 17 -0.641 -2.657 -26.178 1.00 0.00 C ATOM 268 O CYS A 17 -1.130 -2.793 -27.300 1.00 0.00 O ATOM 269 CB CYS A 17 -2.132 -2.271 -24.206 1.00 0.00 C ATOM 270 SG CYS A 17 -3.132 -2.967 -22.870 1.00 0.00 S ATOM 0 H CYS A 17 -0.218 -3.426 -23.158 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.938 -4.111 -25.298 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.470 -1.510 -23.792 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.791 -1.769 -24.915 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.368 -3.067 -23.260 1.00 0.00 H new ATOM 276 N LYS A 18 0.461 -1.951 -25.951 1.00 0.00 N ATOM 277 CA LYS A 18 1.177 -1.282 -27.031 1.00 0.00 C ATOM 278 C LYS A 18 1.740 -2.297 -28.021 1.00 0.00 C ATOM 279 O LYS A 18 1.592 -2.143 -29.234 1.00 0.00 O ATOM 280 CB LYS A 18 2.311 -0.425 -26.464 1.00 0.00 C ATOM 281 CG LYS A 18 3.196 0.196 -27.531 1.00 0.00 C ATOM 282 CD LYS A 18 3.920 1.426 -27.009 1.00 0.00 C ATOM 283 CE LYS A 18 5.240 1.058 -26.350 1.00 0.00 C ATOM 284 NZ LYS A 18 5.778 2.175 -25.525 1.00 0.00 N ATOM 0 H LYS A 18 0.878 -1.827 -25.028 1.00 0.00 H new ATOM 0 HA LYS A 18 0.472 -0.639 -27.558 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.884 0.369 -25.851 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.926 -1.040 -25.806 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.925 -0.539 -27.873 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.589 0.469 -28.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.103 2.118 -27.831 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.286 1.945 -26.291 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.100 0.178 -25.723 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.967 0.790 -27.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.678 1.885 -25.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.936 3.007 -26.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.096 2.414 -24.777 1.00 0.00 H new ATOM 298 N SER A 19 2.384 -3.334 -27.497 1.00 0.00 N ATOM 299 CA SER A 19 2.971 -4.373 -28.336 1.00 0.00 C ATOM 300 C SER A 19 1.895 -5.084 -29.151 1.00 0.00 C ATOM 301 O SER A 19 2.055 -5.304 -30.353 1.00 0.00 O ATOM 302 CB SER A 19 3.727 -5.387 -27.475 1.00 0.00 C ATOM 303 OG SER A 19 4.834 -4.781 -26.828 1.00 0.00 O ATOM 0 H SER A 19 2.513 -3.478 -26.495 1.00 0.00 H new ATOM 0 HA SER A 19 3.670 -3.898 -29.024 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.053 -5.810 -26.730 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.073 -6.212 -28.098 1.00 0.00 H new ATOM 0 HG SER A 19 4.524 -4.293 -26.037 1.00 0.00 H new ATOM 309 N LEU A 20 0.800 -5.442 -28.490 1.00 0.00 N ATOM 310 CA LEU A 20 -0.304 -6.128 -29.153 1.00 0.00 C ATOM 311 C LEU A 20 -0.938 -5.239 -30.217 1.00 0.00 C ATOM 312 O LEU A 20 -1.340 -5.714 -31.278 1.00 0.00 O ATOM 313 CB LEU A 20 -1.358 -6.547 -28.127 1.00 0.00 C ATOM 314 CG LEU A 20 -1.272 -7.990 -27.627 1.00 0.00 C ATOM 315 CD1 LEU A 20 -0.033 -8.184 -26.768 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.527 -8.360 -26.849 1.00 0.00 C ATOM 0 H LEU A 20 0.653 -5.269 -27.496 1.00 0.00 H new ATOM 0 HA LEU A 20 0.094 -7.018 -29.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.284 -5.881 -27.267 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.344 -6.394 -28.566 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.196 -8.650 -28.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.011 -9.216 -26.421 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.857 -7.960 -27.357 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.077 -7.514 -25.909 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.449 -9.390 -26.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.634 -7.694 -25.992 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.399 -8.261 -27.496 1.00 0.00 H new ATOM 328 N GLY A 21 -1.023 -3.944 -29.926 1.00 0.00 N ATOM 329 CA GLY A 21 -1.607 -3.009 -30.869 1.00 0.00 C ATOM 330 C GLY A 21 -0.720 -2.770 -32.074 1.00 0.00 C ATOM 331 O GLY A 21 -1.211 -2.562 -33.184 1.00 0.00 O ATOM 0 H GLY A 21 -0.698 -3.526 -29.054 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.572 -3.390 -31.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.795 -2.060 -30.366 1.00 0.00 H new ATOM 335 N LYS A 22 0.590 -2.798 -31.857 1.00 0.00 N ATOM 336 CA LYS A 22 1.549 -2.582 -32.934 1.00 0.00 C ATOM 337 C LYS A 22 1.620 -3.799 -33.851 1.00 0.00 C ATOM 338 O LYS A 22 1.742 -3.665 -35.069 1.00 0.00 O ATOM 339 CB LYS A 22 2.935 -2.283 -32.358 1.00 0.00 C ATOM 340 CG LYS A 22 3.879 -3.473 -32.395 1.00 0.00 C ATOM 341 CD LYS A 22 5.206 -3.153 -31.727 1.00 0.00 C ATOM 342 CE LYS A 22 6.071 -2.261 -32.603 1.00 0.00 C ATOM 343 NZ LYS A 22 6.971 -1.394 -31.794 1.00 0.00 N ATOM 0 H LYS A 22 1.013 -2.968 -30.944 1.00 0.00 H new ATOM 0 HA LYS A 22 1.213 -1.726 -33.520 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.381 -1.459 -32.915 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.826 -1.948 -31.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.414 -4.323 -31.895 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.053 -3.768 -33.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.024 -2.660 -30.772 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.739 -4.079 -31.511 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.668 -2.879 -33.273 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.432 -1.638 -33.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.544 -0.801 -32.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.401 -0.786 -31.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.598 -1.989 -31.215 1.00 0.00 H new ATOM 357 N VAL A 23 1.541 -4.987 -33.259 1.00 0.00 N ATOM 358 CA VAL A 23 1.594 -6.227 -34.023 1.00 0.00 C ATOM 359 C VAL A 23 0.276 -6.484 -34.746 1.00 0.00 C ATOM 360 O VAL A 23 0.261 -6.943 -35.888 1.00 0.00 O ATOM 361 CB VAL A 23 1.912 -7.431 -33.117 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.286 -7.274 -32.482 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.839 -7.595 -32.051 1.00 0.00 C ATOM 0 H VAL A 23 1.440 -5.116 -32.252 1.00 0.00 H new ATOM 0 HA VAL A 23 2.392 -6.113 -34.757 1.00 0.00 H new ATOM 0 HB VAL A 23 1.922 -8.332 -33.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.493 -8.134 -31.845 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.043 -7.210 -33.264 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.307 -6.365 -31.881 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.080 -8.451 -31.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.794 -6.694 -31.439 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.127 -7.758 -32.529 1.00 0.00 H new ATOM 373 N PHE A 24 -0.830 -6.183 -34.073 1.00 0.00 N ATOM 374 CA PHE A 24 -2.154 -6.381 -34.651 1.00 0.00 C ATOM 375 C PHE A 24 -2.401 -5.400 -35.792 1.00 0.00 C ATOM 376 O PHE A 24 -3.324 -5.575 -36.587 1.00 0.00 O ATOM 377 CB PHE A 24 -3.232 -6.215 -33.577 1.00 0.00 C ATOM 378 CG PHE A 24 -4.603 -6.621 -34.037 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.795 -7.814 -34.716 1.00 0.00 C ATOM 380 CD2 PHE A 24 -5.699 -5.810 -33.791 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.056 -8.191 -35.140 1.00 0.00 C ATOM 382 CE2 PHE A 24 -6.962 -6.182 -34.212 1.00 0.00 C ATOM 383 CZ PHE A 24 -7.140 -7.373 -34.889 1.00 0.00 C ATOM 0 H PHE A 24 -0.835 -5.801 -33.127 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.202 -7.394 -35.050 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.959 -6.809 -32.705 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.258 -5.173 -33.258 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.950 -8.456 -34.916 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.565 -4.877 -33.264 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.193 -9.124 -35.667 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.809 -5.542 -34.012 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.125 -7.664 -35.221 1.00 0.00 H new ATOM 393 N GLY A 25 -1.570 -4.365 -35.866 1.00 0.00 N ATOM 394 CA GLY A 25 -1.715 -3.370 -36.913 1.00 0.00 C ATOM 395 C GLY A 25 -2.771 -2.333 -36.585 1.00 0.00 C ATOM 396 O GLY A 25 -3.559 -1.945 -37.447 1.00 0.00 O ATOM 0 H GLY A 25 -0.799 -4.198 -35.220 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.758 -2.872 -37.072 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.975 -3.866 -37.848 1.00 0.00 H new ATOM 400 N VAL A 26 -2.788 -1.884 -35.334 1.00 0.00 N ATOM 401 CA VAL A 26 -3.756 -0.886 -34.893 1.00 0.00 C ATOM 402 C VAL A 26 -3.172 -0.001 -33.797 1.00 0.00 C ATOM 403 O VAL A 26 -1.990 -0.100 -33.468 1.00 0.00 O ATOM 404 CB VAL A 26 -5.046 -1.547 -34.373 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.647 -2.454 -35.435 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.769 -2.321 -33.093 1.00 0.00 C ATOM 0 H VAL A 26 -2.143 -2.195 -34.608 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.997 -0.272 -35.761 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.770 -0.764 -34.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.558 -2.912 -35.049 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.884 -1.868 -36.323 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.931 -3.233 -35.695 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.691 -2.782 -32.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.028 -3.096 -33.290 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.388 -1.640 -32.331 1.00 0.00 H new ATOM 416 N HIS A 27 -4.010 0.863 -33.233 1.00 0.00 N ATOM 417 CA HIS A 27 -3.578 1.765 -32.172 1.00 0.00 C ATOM 418 C HIS A 27 -3.951 1.209 -30.801 1.00 0.00 C ATOM 419 O HIS A 27 -4.760 0.287 -30.693 1.00 0.00 O ATOM 420 CB HIS A 27 -4.204 3.147 -32.362 1.00 0.00 C ATOM 421 CG HIS A 27 -4.068 3.680 -33.755 1.00 0.00 C ATOM 422 ND1 HIS A 27 -2.859 3.772 -34.411 1.00 0.00 N ATOM 423 CD2 HIS A 27 -4.999 4.148 -34.619 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.051 4.276 -35.617 1.00 0.00 C ATOM 425 NE2 HIS A 27 -4.342 4.512 -35.768 1.00 0.00 N ATOM 0 H HIS A 27 -4.992 0.957 -33.493 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.493 1.855 -32.225 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.262 3.096 -32.103 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.739 3.846 -31.667 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.061 4.221 -34.438 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.284 4.463 -36.354 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.780 4.902 -36.603 1.00 0.00 H new ATOM 433 N TYR A 28 -3.356 1.775 -29.757 1.00 0.00 N ATOM 434 CA TYR A 28 -3.623 1.334 -28.393 1.00 0.00 C ATOM 435 C TYR A 28 -5.036 1.719 -27.963 1.00 0.00 C ATOM 436 O TYR A 28 -5.677 1.007 -27.189 1.00 0.00 O ATOM 437 CB TYR A 28 -2.602 1.939 -27.429 1.00 0.00 C ATOM 438 CG TYR A 28 -2.717 3.440 -27.289 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.086 4.292 -28.187 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.456 4.007 -26.258 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.188 5.664 -28.063 1.00 0.00 C ATOM 442 CE2 TYR A 28 -3.565 5.378 -26.127 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.929 6.202 -27.031 1.00 0.00 C ATOM 444 OH TYR A 28 -3.034 7.568 -26.903 1.00 0.00 O ATOM 0 H TYR A 28 -2.685 2.540 -29.829 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.537 0.248 -28.366 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.725 1.481 -26.448 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.598 1.690 -27.773 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.506 3.874 -28.996 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.954 3.365 -25.547 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.691 6.312 -28.770 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.145 5.802 -25.321 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.788 7.785 -26.315 1.00 0.00 H new ATOM 454 N PHE A 29 -5.514 2.850 -28.470 1.00 0.00 N ATOM 455 CA PHE A 29 -6.850 3.331 -28.139 1.00 0.00 C ATOM 456 C PHE A 29 -7.920 2.444 -28.770 1.00 0.00 C ATOM 457 O PHE A 29 -9.087 2.493 -28.386 1.00 0.00 O ATOM 458 CB PHE A 29 -7.026 4.776 -28.612 1.00 0.00 C ATOM 459 CG PHE A 29 -6.916 5.786 -27.505 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.714 5.686 -26.376 1.00 0.00 C ATOM 461 CD2 PHE A 29 -6.016 6.835 -27.594 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.615 6.613 -25.356 1.00 0.00 C ATOM 463 CE2 PHE A 29 -5.912 7.765 -26.577 1.00 0.00 C ATOM 464 CZ PHE A 29 -6.714 7.655 -25.457 1.00 0.00 C ATOM 0 H PHE A 29 -4.996 3.451 -29.112 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.964 3.293 -27.056 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.274 4.996 -29.370 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.000 4.877 -29.090 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.421 4.874 -26.293 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.388 6.927 -28.468 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.241 6.523 -24.481 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.205 8.577 -26.657 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.636 8.382 -24.662 1.00 0.00 H new ATOM 474 N ASN A 30 -7.511 1.635 -29.742 1.00 0.00 N ATOM 475 CA ASN A 30 -8.434 0.738 -30.428 1.00 0.00 C ATOM 476 C ASN A 30 -8.667 -0.530 -29.613 1.00 0.00 C ATOM 477 O ASN A 30 -9.619 -1.271 -29.857 1.00 0.00 O ATOM 478 CB ASN A 30 -7.891 0.375 -31.812 1.00 0.00 C ATOM 479 CG ASN A 30 -8.137 1.468 -32.834 1.00 0.00 C ATOM 480 OD1 ASN A 30 -7.756 2.694 -32.493 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 -8.662 1.213 -33.918 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.547 1.582 -30.072 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.387 1.255 -30.542 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.821 0.183 -31.740 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.359 -0.549 -32.152 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.939 0.256 -34.138 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.820 1.958 -34.596 1.00 0.00 H new ATOM 488 N ILE A 31 -7.791 -0.772 -28.643 1.00 0.00 N ATOM 489 CA ILE A 31 -7.903 -1.949 -27.790 1.00 0.00 C ATOM 490 C ILE A 31 -8.246 -1.559 -26.357 1.00 0.00 C ATOM 491 O ILE A 31 -9.055 -2.215 -25.700 1.00 0.00 O ATOM 492 CB ILE A 31 -6.599 -2.769 -27.789 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.392 -1.848 -27.597 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.469 -3.559 -29.082 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.068 -2.579 -27.602 1.00 0.00 C ATOM 0 H ILE A 31 -6.997 -0.169 -28.428 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.707 -2.560 -28.200 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.631 -3.473 -26.958 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.387 -1.099 -28.389 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.499 -1.314 -26.653 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.543 -4.133 -29.066 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.316 -4.239 -29.180 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.456 -2.872 -29.928 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.257 -1.864 -27.461 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.053 -3.309 -26.793 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.939 -3.091 -28.556 1.00 0.00 H new ATOM 507 N PHE A 32 -7.628 -0.484 -25.877 1.00 0.00 N ATOM 508 CA PHE A 32 -7.868 -0.005 -24.521 1.00 0.00 C ATOM 509 C PHE A 32 -7.682 1.507 -24.438 1.00 0.00 C ATOM 510 O PHE A 32 -6.838 2.078 -25.127 1.00 0.00 O ATOM 511 CB PHE A 32 -6.927 -0.701 -23.537 1.00 0.00 C ATOM 512 CG PHE A 32 -7.191 -2.173 -23.393 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.141 -2.634 -22.496 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.491 -3.094 -24.155 1.00 0.00 C ATOM 515 CE1 PHE A 32 -8.386 -3.988 -22.361 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.732 -4.449 -24.024 1.00 0.00 C ATOM 517 CZ PHE A 32 -7.681 -4.896 -23.127 1.00 0.00 C ATOM 0 H PHE A 32 -6.957 0.072 -26.408 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.898 -0.242 -24.256 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.898 -0.555 -23.866 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.020 -0.226 -22.560 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.696 -1.928 -21.896 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.748 -2.750 -24.860 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.128 -4.335 -21.657 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.178 -5.157 -24.623 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.872 -5.954 -23.024 1.00 0.00 H new ATOM 527 N ASN A 33 -8.478 2.150 -23.589 1.00 0.00 N ATOM 528 CA ASN A 33 -8.402 3.596 -23.415 1.00 0.00 C ATOM 529 C ASN A 33 -7.821 3.950 -22.050 1.00 0.00 C ATOM 530 O ASN A 33 -7.715 3.098 -21.167 1.00 0.00 O ATOM 531 CB ASN A 33 -9.789 4.222 -23.570 1.00 0.00 C ATOM 532 CG ASN A 33 -10.590 3.584 -24.689 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.039 2.444 -24.573 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.772 4.320 -25.780 1.00 0.00 N ATOM 0 H ASN A 33 -9.183 1.692 -23.011 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.742 3.996 -24.185 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.336 4.122 -22.633 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.683 5.289 -23.765 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.303 3.944 -26.566 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.381 5.261 -25.832 1.00 0.00 H new ATOM 541 N THR A 34 -7.446 5.214 -21.882 1.00 0.00 N ATOM 542 CA THR A 34 -6.875 5.682 -20.625 1.00 0.00 C ATOM 543 C THR A 34 -7.764 5.308 -19.445 1.00 0.00 C ATOM 544 O THR A 34 -7.300 4.723 -18.466 1.00 0.00 O ATOM 545 CB THR A 34 -6.670 7.209 -20.635 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.917 7.869 -20.877 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.662 7.612 -21.701 1.00 0.00 C ATOM 0 H THR A 34 -7.528 5.933 -22.601 1.00 0.00 H new ATOM 0 HA THR A 34 -5.907 5.194 -20.516 1.00 0.00 H new ATOM 0 HB THR A 34 -6.284 7.508 -19.660 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.778 8.839 -20.880 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.533 8.694 -21.690 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.705 7.131 -21.498 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.024 7.300 -22.681 1.00 0.00 H new ATOM 555 N VAL A 35 -9.046 5.649 -19.544 1.00 0.00 N ATOM 556 CA VAL A 35 -10.001 5.347 -18.485 1.00 0.00 C ATOM 557 C VAL A 35 -10.078 3.846 -18.226 1.00 0.00 C ATOM 558 O VAL A 35 -10.003 3.397 -17.081 1.00 0.00 O ATOM 559 CB VAL A 35 -11.407 5.870 -18.832 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.349 5.693 -17.650 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.343 7.328 -19.259 1.00 0.00 C ATOM 0 H VAL A 35 -9.446 6.134 -20.347 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.646 5.850 -17.585 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.796 5.288 -19.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.338 6.068 -17.914 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.418 4.636 -17.395 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.967 6.248 -16.794 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.346 7.681 -19.500 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.933 7.928 -18.446 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.704 7.422 -20.137 1.00 0.00 H new ATOM 571 N THR A 36 -10.227 3.073 -19.297 1.00 0.00 N ATOM 572 CA THR A 36 -10.315 1.623 -19.186 1.00 0.00 C ATOM 573 C THR A 36 -9.089 1.050 -18.484 1.00 0.00 C ATOM 574 O THR A 36 -9.209 0.258 -17.549 1.00 0.00 O ATOM 575 CB THR A 36 -10.456 0.961 -20.570 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.658 1.410 -21.207 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.477 -0.555 -20.445 1.00 0.00 C ATOM 0 H THR A 36 -10.289 3.427 -20.251 1.00 0.00 H new ATOM 0 HA THR A 36 -11.204 1.405 -18.595 1.00 0.00 H new ATOM 0 HB THR A 36 -9.596 1.247 -21.175 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.740 0.986 -22.087 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.577 -1.000 -21.435 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.549 -0.895 -19.986 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.320 -0.857 -19.824 1.00 0.00 H new ATOM 585 N LEU A 37 -7.909 1.454 -18.941 1.00 0.00 N ATOM 586 CA LEU A 37 -6.659 0.981 -18.356 1.00 0.00 C ATOM 587 C LEU A 37 -6.588 1.325 -16.871 1.00 0.00 C ATOM 588 O LEU A 37 -6.159 0.510 -16.054 1.00 0.00 O ATOM 589 CB LEU A 37 -5.465 1.594 -19.090 1.00 0.00 C ATOM 590 CG LEU A 37 -5.277 1.160 -20.545 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.700 2.298 -21.371 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.380 -0.067 -20.623 1.00 0.00 C ATOM 0 H LEU A 37 -7.791 2.108 -19.715 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.625 -0.103 -18.461 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.567 2.679 -19.066 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.558 1.347 -18.538 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.252 0.899 -20.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.573 1.971 -22.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.379 3.150 -21.341 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.733 2.591 -20.962 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.257 -0.362 -21.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.405 0.167 -20.195 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.834 -0.886 -20.065 1.00 0.00 H new ATOM 604 N LYS A 38 -7.013 2.536 -16.529 1.00 0.00 N ATOM 605 CA LYS A 38 -7.001 2.988 -15.143 1.00 0.00 C ATOM 606 C LYS A 38 -7.909 2.117 -14.279 1.00 0.00 C ATOM 607 O LYS A 38 -7.557 1.761 -13.154 1.00 0.00 O ATOM 608 CB LYS A 38 -7.448 4.450 -15.057 1.00 0.00 C ATOM 609 CG LYS A 38 -7.035 5.137 -13.767 1.00 0.00 C ATOM 610 CD LYS A 38 -5.571 5.542 -13.795 1.00 0.00 C ATOM 611 CE LYS A 38 -5.372 6.866 -14.518 1.00 0.00 C ATOM 612 NZ LYS A 38 -5.761 8.026 -13.668 1.00 0.00 N ATOM 0 H LYS A 38 -7.370 3.223 -17.193 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.981 2.904 -14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.031 4.999 -15.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.533 4.496 -15.152 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.655 6.020 -13.609 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.212 4.468 -12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.195 5.623 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.987 4.765 -14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.327 6.966 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.963 6.872 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.501 8.911 -14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.788 8.009 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.266 7.969 -12.755 1.00 0.00 H new ATOM 626 N LYS A 39 -9.077 1.777 -14.813 1.00 0.00 N ATOM 627 CA LYS A 39 -10.034 0.946 -14.093 1.00 0.00 C ATOM 628 C LYS A 39 -9.459 -0.442 -13.828 1.00 0.00 C ATOM 629 O LYS A 39 -9.508 -0.941 -12.702 1.00 0.00 O ATOM 630 CB LYS A 39 -11.336 0.826 -14.888 1.00 0.00 C ATOM 631 CG LYS A 39 -12.561 0.597 -14.019 1.00 0.00 C ATOM 632 CD LYS A 39 -12.960 1.860 -13.274 1.00 0.00 C ATOM 633 CE LYS A 39 -13.833 2.761 -14.133 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.173 2.161 -14.383 1.00 0.00 N ATOM 0 H LYS A 39 -9.384 2.064 -15.742 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.242 1.423 -13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.480 1.735 -15.472 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.245 0.003 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.392 0.262 -14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.357 -0.200 -13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.496 1.593 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.065 2.402 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.953 3.726 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.336 2.948 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.849 2.912 -14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.108 1.481 -15.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.499 1.671 -13.526 1.00 0.00 H new ATOM 648 N LEU A 40 -8.913 -1.059 -14.869 1.00 0.00 N ATOM 649 CA LEU A 40 -8.326 -2.389 -14.748 1.00 0.00 C ATOM 650 C LEU A 40 -7.207 -2.399 -13.712 1.00 0.00 C ATOM 651 O LEU A 40 -7.269 -3.128 -12.723 1.00 0.00 O ATOM 652 CB LEU A 40 -7.787 -2.855 -16.102 1.00 0.00 C ATOM 653 CG LEU A 40 -8.788 -2.860 -17.258 1.00 0.00 C ATOM 654 CD1 LEU A 40 -8.063 -2.801 -18.593 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.678 -4.092 -17.187 1.00 0.00 C ATOM 0 H LEU A 40 -8.864 -0.660 -15.807 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.107 -3.075 -14.419 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.949 -2.215 -16.377 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.392 -3.864 -15.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.418 -1.975 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.792 -2.805 -19.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.469 -1.889 -18.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.408 -3.667 -18.690 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.384 -4.079 -18.017 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.062 -4.990 -17.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.226 -4.091 -16.245 1.00 0.00 H new ATOM 667 N ALA A 41 -6.184 -1.582 -13.946 1.00 0.00 N ATOM 668 CA ALA A 41 -5.053 -1.493 -13.030 1.00 0.00 C ATOM 669 C ALA A 41 -5.517 -1.172 -11.614 1.00 0.00 C ATOM 670 O ALA A 41 -4.960 -1.676 -10.640 1.00 0.00 O ATOM 671 CB ALA A 41 -4.064 -0.444 -13.515 1.00 0.00 C ATOM 0 H ALA A 41 -6.116 -0.973 -14.761 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.556 -2.463 -13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.224 -0.388 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.700 -0.718 -14.505 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.558 0.526 -13.566 1.00 0.00 H new ATOM 677 N GLU A 42 -6.540 -0.329 -11.508 1.00 0.00 N ATOM 678 CA GLU A 42 -7.077 0.060 -10.210 1.00 0.00 C ATOM 679 C GLU A 42 -7.634 -1.150 -9.466 1.00 0.00 C ATOM 680 O GLU A 42 -7.359 -1.346 -8.283 1.00 0.00 O ATOM 681 CB GLU A 42 -8.171 1.116 -10.381 1.00 0.00 C ATOM 682 CG GLU A 42 -7.649 2.542 -10.368 1.00 0.00 C ATOM 683 CD GLU A 42 -8.704 3.554 -10.772 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.361 3.341 -11.813 1.00 0.00 O ATOM 685 OE2 GLU A 42 -8.872 4.558 -10.050 1.00 0.00 O ATOM 0 H GLU A 42 -7.013 0.097 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.263 0.483 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.692 0.938 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.904 0.999 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.284 2.782 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.798 2.620 -11.045 1.00 0.00 H new ATOM 692 N SER A 43 -8.420 -1.959 -10.170 1.00 0.00 N ATOM 693 CA SER A 43 -9.020 -3.148 -9.577 1.00 0.00 C ATOM 694 C SER A 43 -7.959 -4.205 -9.287 1.00 0.00 C ATOM 695 O SER A 43 -7.885 -4.741 -8.180 1.00 0.00 O ATOM 696 CB SER A 43 -10.089 -3.724 -10.507 1.00 0.00 C ATOM 697 OG SER A 43 -11.040 -4.485 -9.783 1.00 0.00 O ATOM 0 H SER A 43 -8.656 -1.812 -11.151 1.00 0.00 H new ATOM 0 HA SER A 43 -9.486 -2.858 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.592 -2.913 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.617 -4.351 -11.264 1.00 0.00 H new ATOM 0 HG SER A 43 -11.713 -4.841 -10.400 1.00 0.00 H new ATOM 703 N LEU A 44 -7.139 -4.502 -10.289 1.00 0.00 N ATOM 704 CA LEU A 44 -6.081 -5.495 -10.144 1.00 0.00 C ATOM 705 C LEU A 44 -6.631 -6.799 -9.575 1.00 0.00 C ATOM 706 O LEU A 44 -6.473 -7.085 -8.388 1.00 0.00 O ATOM 707 CB LEU A 44 -4.971 -4.958 -9.238 1.00 0.00 C ATOM 708 CG LEU A 44 -3.779 -4.314 -9.947 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.121 -3.278 -9.049 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.772 -5.375 -10.367 1.00 0.00 C ATOM 0 H LEU A 44 -7.187 -4.069 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.669 -5.697 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.406 -4.223 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.602 -5.779 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.142 -3.811 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.275 -2.830 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.844 -2.502 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.772 -3.758 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.930 -4.899 -10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.414 -5.906 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.249 -6.081 -11.047 1.00 0.00 H new ATOM 722 N SER A 45 -7.277 -7.585 -10.429 1.00 0.00 N ATOM 723 CA SER A 45 -7.853 -8.858 -10.011 1.00 0.00 C ATOM 724 C SER A 45 -8.107 -9.761 -11.214 1.00 0.00 C ATOM 725 O SER A 45 -8.822 -9.388 -12.145 1.00 0.00 O ATOM 726 CB SER A 45 -9.159 -8.625 -9.249 1.00 0.00 C ATOM 727 OG SER A 45 -9.310 -7.260 -8.900 1.00 0.00 O ATOM 0 H SER A 45 -7.415 -7.363 -11.415 1.00 0.00 H new ATOM 0 HA SER A 45 -7.139 -9.353 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.003 -8.942 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.172 -9.238 -8.347 1.00 0.00 H new ATOM 0 HG SER A 45 -10.153 -7.138 -8.415 1.00 0.00 H new ATOM 733 N SER A 46 -7.516 -10.951 -11.188 1.00 0.00 N ATOM 734 CA SER A 46 -7.674 -11.907 -12.278 1.00 0.00 C ATOM 735 C SER A 46 -9.150 -12.150 -12.578 1.00 0.00 C ATOM 736 O SER A 46 -9.548 -12.266 -13.738 1.00 0.00 O ATOM 737 CB SER A 46 -6.989 -13.230 -11.928 1.00 0.00 C ATOM 738 OG SER A 46 -6.212 -13.105 -10.750 1.00 0.00 O ATOM 0 H SER A 46 -6.923 -11.276 -10.424 1.00 0.00 H new ATOM 0 HA SER A 46 -7.204 -11.487 -13.167 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.741 -14.007 -11.791 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.353 -13.544 -12.756 1.00 0.00 H new ATOM 0 HG SER A 46 -6.109 -13.985 -10.331 1.00 0.00 H new ATOM 744 N ASP A 47 -9.956 -12.225 -11.526 1.00 0.00 N ATOM 745 CA ASP A 47 -11.389 -12.453 -11.675 1.00 0.00 C ATOM 746 C ASP A 47 -11.974 -11.546 -12.753 1.00 0.00 C ATOM 747 O ASP A 47 -12.135 -10.340 -12.565 1.00 0.00 O ATOM 748 CB ASP A 47 -12.106 -12.213 -10.345 1.00 0.00 C ATOM 749 CG ASP A 47 -11.896 -13.347 -9.361 1.00 0.00 C ATOM 750 OD1 ASP A 47 -10.892 -13.309 -8.619 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.735 -14.271 -9.333 1.00 0.00 O ATOM 0 H ASP A 47 -9.642 -12.131 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.538 -13.490 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.747 -11.283 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.173 -12.088 -10.528 1.00 0.00 H new ATOM 756 N PRO A 48 -12.299 -12.138 -13.912 1.00 0.00 N ATOM 757 CA PRO A 48 -12.870 -11.403 -15.044 1.00 0.00 C ATOM 758 C PRO A 48 -14.296 -10.934 -14.771 1.00 0.00 C ATOM 759 O PRO A 48 -14.870 -10.178 -15.553 1.00 0.00 O ATOM 760 CB PRO A 48 -12.853 -12.429 -16.180 1.00 0.00 C ATOM 761 CG PRO A 48 -12.888 -13.752 -15.495 1.00 0.00 C ATOM 762 CD PRO A 48 -12.134 -13.572 -14.207 1.00 0.00 C ATOM 0 HA PRO A 48 -12.309 -10.495 -15.264 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.711 -12.302 -16.841 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.959 -12.325 -16.795 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.914 -14.066 -15.306 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.427 -14.523 -16.112 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.543 -14.195 -13.412 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.083 -13.842 -14.315 1.00 0.00 H new ATOM 770 N GLU A 49 -14.859 -11.389 -13.656 1.00 0.00 N ATOM 771 CA GLU A 49 -16.218 -11.015 -13.281 1.00 0.00 C ATOM 772 C GLU A 49 -16.314 -9.519 -13.000 1.00 0.00 C ATOM 773 O GLU A 49 -17.194 -8.833 -13.519 1.00 0.00 O ATOM 774 CB GLU A 49 -16.667 -11.807 -12.051 1.00 0.00 C ATOM 775 CG GLU A 49 -16.689 -13.310 -12.269 1.00 0.00 C ATOM 776 CD GLU A 49 -17.595 -13.721 -13.413 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.545 -12.970 -13.717 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.353 -14.794 -14.005 1.00 0.00 O ATOM 0 H GLU A 49 -14.396 -12.016 -12.998 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.876 -11.252 -14.117 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.000 -11.579 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.664 -11.476 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.676 -13.659 -12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.020 -13.801 -11.354 1.00 0.00 H new ATOM 785 N VAL A 50 -15.401 -9.019 -12.173 1.00 0.00 N ATOM 786 CA VAL A 50 -15.380 -7.604 -11.821 1.00 0.00 C ATOM 787 C VAL A 50 -14.981 -6.747 -13.017 1.00 0.00 C ATOM 788 O VAL A 50 -15.458 -5.622 -13.175 1.00 0.00 O ATOM 789 CB VAL A 50 -14.408 -7.328 -10.659 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.802 -8.135 -9.431 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.978 -7.639 -11.075 1.00 0.00 C ATOM 0 H VAL A 50 -14.666 -9.573 -11.734 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.391 -7.341 -11.509 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.466 -6.270 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.104 -7.927 -8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.810 -7.859 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.775 -9.198 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.305 -7.438 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.902 -8.689 -11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.702 -7.013 -11.924 1.00 0.00 H new ATOM 801 N LEU A 51 -14.104 -7.285 -13.857 1.00 0.00 N ATOM 802 CA LEU A 51 -13.640 -6.569 -15.041 1.00 0.00 C ATOM 803 C LEU A 51 -14.768 -6.404 -16.054 1.00 0.00 C ATOM 804 O LEU A 51 -14.879 -5.369 -16.714 1.00 0.00 O ATOM 805 CB LEU A 51 -12.467 -7.312 -15.683 1.00 0.00 C ATOM 806 CG LEU A 51 -11.473 -7.958 -14.718 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.327 -8.602 -15.484 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.945 -6.930 -13.729 1.00 0.00 C ATOM 0 H LEU A 51 -13.700 -8.214 -13.741 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.308 -5.578 -14.730 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.868 -8.089 -16.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.924 -6.612 -16.318 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.992 -8.737 -14.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.629 -9.057 -14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.721 -9.369 -16.151 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.809 -7.843 -16.069 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.239 -7.408 -13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.442 -6.129 -14.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.775 -6.516 -13.157 1.00 0.00 H new ATOM 820 N LEU A 52 -15.606 -7.429 -16.172 1.00 0.00 N ATOM 821 CA LEU A 52 -16.728 -7.397 -17.104 1.00 0.00 C ATOM 822 C LEU A 52 -17.659 -6.229 -16.794 1.00 0.00 C ATOM 823 O LEU A 52 -18.392 -5.760 -17.665 1.00 0.00 O ATOM 824 CB LEU A 52 -17.505 -8.713 -17.042 1.00 0.00 C ATOM 825 CG LEU A 52 -18.268 -9.101 -18.309 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.479 -10.606 -18.365 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.602 -8.371 -18.372 1.00 0.00 C ATOM 0 H LEU A 52 -15.529 -8.292 -15.634 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.330 -7.264 -18.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.805 -9.514 -16.803 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.216 -8.654 -16.218 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.673 -8.806 -19.173 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.024 -10.863 -19.273 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.512 -11.109 -18.367 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.053 -10.926 -17.495 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.132 -8.659 -19.280 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.203 -8.635 -17.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.428 -7.295 -18.379 1.00 0.00 H new ATOM 839 N GLN A 53 -17.623 -5.763 -15.550 1.00 0.00 N ATOM 840 CA GLN A 53 -18.462 -4.649 -15.127 1.00 0.00 C ATOM 841 C GLN A 53 -17.841 -3.315 -15.528 1.00 0.00 C ATOM 842 O GLN A 53 -18.399 -2.252 -15.256 1.00 0.00 O ATOM 843 CB GLN A 53 -18.677 -4.690 -13.613 1.00 0.00 C ATOM 844 CG GLN A 53 -19.568 -5.833 -13.155 1.00 0.00 C ATOM 845 CD GLN A 53 -19.239 -6.305 -11.753 1.00 0.00 C ATOM 846 OE1 GLN A 53 -19.137 -7.505 -11.498 1.00 0.00 O ATOM 847 NE2 GLN A 53 -19.069 -5.361 -10.835 1.00 0.00 N ATOM 0 H GLN A 53 -17.022 -6.140 -14.817 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.426 -4.745 -15.627 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.709 -4.775 -13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -19.117 -3.746 -13.291 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.609 -5.513 -13.191 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.466 -6.668 -13.848 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -19.163 -4.378 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.844 -5.619 -9.874 1.00 0.00 H new ATOM 856 N ILE A 54 -16.682 -3.380 -16.177 1.00 0.00 N ATOM 857 CA ILE A 54 -15.986 -2.177 -16.616 1.00 0.00 C ATOM 858 C ILE A 54 -16.317 -1.849 -18.068 1.00 0.00 C ATOM 859 O ILE A 54 -16.077 -2.655 -18.967 1.00 0.00 O ATOM 860 CB ILE A 54 -14.460 -2.326 -16.470 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.096 -2.698 -15.031 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.760 -1.039 -16.883 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.632 -3.028 -14.844 1.00 0.00 C ATOM 0 H ILE A 54 -16.207 -4.252 -16.410 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.327 -1.363 -15.976 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.124 -3.127 -17.128 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.361 -1.871 -14.372 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.695 -3.555 -14.723 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.682 -1.160 -16.774 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.997 -0.814 -17.923 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.099 -0.220 -16.248 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.447 -3.282 -13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.366 -3.875 -15.476 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.026 -2.165 -15.120 1.00 0.00 H new ATOM 875 N ASP A 55 -16.868 -0.660 -18.289 1.00 0.00 N ATOM 876 CA ASP A 55 -17.230 -0.223 -19.632 1.00 0.00 C ATOM 877 C ASP A 55 -16.012 -0.225 -20.551 1.00 0.00 C ATOM 878 O ASP A 55 -15.044 0.498 -20.317 1.00 0.00 O ATOM 879 CB ASP A 55 -17.849 1.175 -19.587 1.00 0.00 C ATOM 880 CG ASP A 55 -18.803 1.422 -20.739 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.083 0.467 -21.494 1.00 0.00 O ATOM 882 OD2 ASP A 55 -19.270 2.571 -20.885 1.00 0.00 O ATOM 0 H ASP A 55 -17.074 0.018 -17.555 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.964 -0.924 -20.030 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.381 1.304 -18.644 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.055 1.922 -19.610 1.00 0.00 H new ATOM 887 N GLY A 56 -16.066 -1.044 -21.597 1.00 0.00 N ATOM 888 CA GLY A 56 -14.961 -1.125 -22.534 1.00 0.00 C ATOM 889 C GLY A 56 -14.220 -2.444 -22.443 1.00 0.00 C ATOM 890 O GLY A 56 -12.994 -2.485 -22.550 1.00 0.00 O ATOM 0 H GLY A 56 -16.856 -1.653 -21.812 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.338 -0.993 -23.548 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.266 -0.307 -22.343 1.00 0.00 H new ATOM 894 N VAL A 57 -14.965 -3.527 -22.243 1.00 0.00 N ATOM 895 CA VAL A 57 -14.371 -4.854 -22.137 1.00 0.00 C ATOM 896 C VAL A 57 -15.319 -5.925 -22.666 1.00 0.00 C ATOM 897 O VAL A 57 -16.267 -6.321 -21.988 1.00 0.00 O ATOM 898 CB VAL A 57 -13.999 -5.188 -20.680 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.368 -6.569 -20.593 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.065 -4.130 -20.113 1.00 0.00 C ATOM 0 H VAL A 57 -15.981 -3.511 -22.151 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.465 -4.844 -22.743 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.911 -5.193 -20.083 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.112 -6.787 -19.556 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.074 -7.315 -20.957 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.465 -6.596 -21.203 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.813 -4.382 -19.083 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.154 -4.091 -20.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.558 -3.158 -20.138 1.00 0.00 H new ATOM 910 N THR A 58 -15.056 -6.391 -23.883 1.00 0.00 N ATOM 911 CA THR A 58 -15.886 -7.415 -24.505 1.00 0.00 C ATOM 912 C THR A 58 -15.239 -8.790 -24.392 1.00 0.00 C ATOM 913 O THR A 58 -14.039 -8.902 -24.141 1.00 0.00 O ATOM 914 CB THR A 58 -16.145 -7.103 -25.991 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.090 -5.689 -26.211 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.501 -7.637 -26.428 1.00 0.00 C ATOM 0 H THR A 58 -14.274 -6.075 -24.457 1.00 0.00 H new ATOM 0 HA THR A 58 -16.836 -7.418 -23.971 1.00 0.00 H new ATOM 0 HB THR A 58 -15.372 -7.593 -26.583 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.683 -5.450 -26.954 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.661 -7.405 -27.481 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.529 -8.717 -26.286 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.285 -7.172 -25.830 1.00 0.00 H new ATOM 924 N GLU A 59 -16.040 -9.834 -24.579 1.00 0.00 N ATOM 925 CA GLU A 59 -15.543 -11.202 -24.497 1.00 0.00 C ATOM 926 C GLU A 59 -14.365 -11.411 -25.444 1.00 0.00 C ATOM 927 O GLU A 59 -13.367 -12.035 -25.082 1.00 0.00 O ATOM 928 CB GLU A 59 -16.660 -12.195 -24.829 1.00 0.00 C ATOM 929 CG GLU A 59 -16.385 -13.606 -24.339 1.00 0.00 C ATOM 930 CD GLU A 59 -17.639 -14.457 -24.277 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.060 -14.969 -25.336 1.00 0.00 O ATOM 932 OE2 GLU A 59 -18.199 -14.610 -23.172 1.00 0.00 O ATOM 0 H GLU A 59 -17.035 -9.759 -24.788 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.202 -11.377 -23.476 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.592 -11.841 -24.388 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.806 -12.216 -25.909 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.660 -14.081 -25.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.932 -13.561 -23.349 1.00 0.00 H new ATOM 939 N ASP A 60 -14.488 -10.884 -26.657 1.00 0.00 N ATOM 940 CA ASP A 60 -13.434 -11.011 -27.657 1.00 0.00 C ATOM 941 C ASP A 60 -12.193 -10.228 -27.240 1.00 0.00 C ATOM 942 O ASP A 60 -11.070 -10.723 -27.338 1.00 0.00 O ATOM 943 CB ASP A 60 -13.929 -10.520 -29.017 1.00 0.00 C ATOM 944 CG ASP A 60 -14.585 -9.155 -28.936 1.00 0.00 C ATOM 945 OD1 ASP A 60 -13.863 -8.143 -29.049 1.00 0.00 O ATOM 946 OD2 ASP A 60 -15.821 -9.100 -28.759 1.00 0.00 O ATOM 0 H ASP A 60 -15.307 -10.365 -26.972 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.167 -12.065 -27.736 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.090 -10.476 -29.712 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.641 -11.239 -29.422 1.00 0.00 H new ATOM 951 N LYS A 61 -12.403 -9.001 -26.775 1.00 0.00 N ATOM 952 CA LYS A 61 -11.303 -8.147 -26.343 1.00 0.00 C ATOM 953 C LYS A 61 -10.528 -8.795 -25.199 1.00 0.00 C ATOM 954 O LYS A 61 -9.301 -8.896 -25.246 1.00 0.00 O ATOM 955 CB LYS A 61 -11.832 -6.780 -25.904 1.00 0.00 C ATOM 956 CG LYS A 61 -12.699 -6.100 -26.949 1.00 0.00 C ATOM 957 CD LYS A 61 -12.746 -4.595 -26.741 1.00 0.00 C ATOM 958 CE LYS A 61 -13.214 -3.873 -27.995 1.00 0.00 C ATOM 959 NZ LYS A 61 -14.668 -4.077 -28.243 1.00 0.00 N ATOM 0 H LYS A 61 -13.326 -8.576 -26.688 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.627 -8.014 -27.188 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.409 -6.900 -24.987 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.988 -6.132 -25.667 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.311 -6.319 -27.944 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.710 -6.506 -26.905 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.417 -4.362 -25.914 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.756 -4.234 -26.460 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.008 -2.807 -27.898 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.646 -4.231 -28.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.796 -4.763 -29.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.120 -4.439 -27.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.105 -3.172 -28.509 1.00 0.00 H new ATOM 973 N LEU A 62 -11.251 -9.234 -24.175 1.00 0.00 N ATOM 974 CA LEU A 62 -10.632 -9.874 -23.020 1.00 0.00 C ATOM 975 C LEU A 62 -10.063 -11.239 -23.394 1.00 0.00 C ATOM 976 O LEU A 62 -9.122 -11.722 -22.765 1.00 0.00 O ATOM 977 CB LEU A 62 -11.651 -10.026 -21.889 1.00 0.00 C ATOM 978 CG LEU A 62 -12.856 -10.918 -22.187 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.508 -12.380 -21.958 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.046 -10.510 -21.330 1.00 0.00 C ATOM 0 H LEU A 62 -12.267 -9.158 -24.121 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.813 -9.240 -22.680 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.137 -10.425 -21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.016 -9.035 -21.620 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.128 -10.791 -23.235 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.378 -12.999 -22.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.686 -12.666 -22.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.210 -12.525 -20.920 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.895 -11.156 -21.555 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.786 -10.607 -20.276 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.311 -9.475 -21.544 1.00 0.00 H new ATOM 992 N GLU A 63 -10.639 -11.853 -24.422 1.00 0.00 N ATOM 993 CA GLU A 63 -10.187 -13.161 -24.880 1.00 0.00 C ATOM 994 C GLU A 63 -8.857 -13.050 -25.619 1.00 0.00 C ATOM 995 O GLU A 63 -8.030 -13.962 -25.575 1.00 0.00 O ATOM 996 CB GLU A 63 -11.238 -13.798 -25.792 1.00 0.00 C ATOM 997 CG GLU A 63 -10.795 -15.116 -26.405 1.00 0.00 C ATOM 998 CD GLU A 63 -11.961 -15.962 -26.875 1.00 0.00 C ATOM 999 OE1 GLU A 63 -13.090 -15.431 -26.942 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.747 -17.155 -27.175 1.00 0.00 O ATOM 0 H GLU A 63 -11.419 -11.466 -24.953 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.044 -13.794 -24.004 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.151 -13.962 -25.220 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.484 -13.100 -26.592 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.133 -14.916 -27.248 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.216 -15.677 -25.671 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.657 -11.926 -26.299 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.428 -11.693 -27.048 1.00 0.00 C ATOM 1009 C LYS A 64 -6.365 -11.051 -26.163 1.00 0.00 C ATOM 1010 O LYS A 64 -5.235 -11.533 -26.083 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.706 -10.800 -28.259 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.074 -11.573 -29.514 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.375 -11.069 -30.118 1.00 0.00 C ATOM 1014 CE LYS A 64 -9.433 -11.334 -31.614 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.528 -10.071 -32.398 1.00 0.00 N ATOM 0 H LYS A 64 -9.331 -11.162 -26.347 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.054 -12.657 -27.393 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.516 -10.113 -28.015 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.824 -10.193 -28.462 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.272 -11.482 -30.247 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.169 -12.632 -29.275 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.218 -11.556 -29.628 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.473 -9.999 -29.933 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.544 -11.885 -31.920 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.292 -11.966 -31.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.565 -10.294 -33.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.390 -9.557 -32.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.695 -9.479 -32.204 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.734 -9.961 -25.498 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.812 -9.253 -24.619 1.00 0.00 C ATOM 1031 C TYR A 65 -6.049 -9.632 -23.161 1.00 0.00 C ATOM 1032 O TYR A 65 -5.121 -10.006 -22.446 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.965 -7.741 -24.796 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.614 -7.347 -26.104 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.022 -7.667 -27.320 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.819 -6.656 -26.124 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.610 -7.308 -28.517 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.415 -6.295 -27.317 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.807 -6.623 -28.510 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.398 -6.264 -29.700 1.00 0.00 O ATOM 0 H TYR A 65 -7.666 -9.549 -25.552 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.797 -9.543 -24.890 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.559 -7.345 -23.972 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.982 -7.275 -24.733 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.086 -8.206 -27.329 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.298 -6.397 -25.191 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.135 -7.562 -29.453 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.352 -5.759 -27.315 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.710 -5.962 -30.329 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.302 -9.533 -22.727 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.641 -9.869 -21.356 1.00 0.00 C ATOM 1052 C GLY A 66 -6.877 -11.076 -20.849 1.00 0.00 C ATOM 1053 O GLY A 66 -6.442 -11.105 -19.699 1.00 0.00 O ATOM 0 H GLY A 66 -8.088 -9.226 -23.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.431 -9.014 -20.713 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.711 -10.065 -21.287 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.716 -12.076 -21.710 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.999 -13.291 -21.343 1.00 0.00 C ATOM 1059 C ALA A 67 -4.707 -12.964 -20.602 1.00 0.00 C ATOM 1060 O ALA A 67 -4.493 -13.419 -19.479 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.704 -14.124 -22.581 1.00 0.00 C ATOM 0 H ALA A 67 -7.072 -12.068 -22.666 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.634 -13.870 -20.672 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.168 -15.028 -22.292 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.640 -14.397 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.092 -13.545 -23.272 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.849 -12.173 -21.239 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.577 -11.787 -20.640 1.00 0.00 C ATOM 1069 C GLU A 68 -2.794 -11.112 -19.289 1.00 0.00 C ATOM 1070 O GLU A 68 -2.018 -11.305 -18.353 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.812 -10.847 -21.574 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.573 -11.427 -22.958 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.110 -12.870 -22.915 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.009 -13.120 -22.419 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.867 -13.750 -23.376 1.00 0.00 O ATOM 0 H GLU A 68 -4.012 -11.787 -22.169 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.989 -12.692 -20.485 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.367 -9.914 -21.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.851 -10.601 -21.121 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.493 -11.362 -23.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.826 -10.825 -23.476 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.857 -10.318 -19.195 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.178 -9.614 -17.959 1.00 0.00 C ATOM 1084 C VAL A 69 -4.458 -10.594 -16.825 1.00 0.00 C ATOM 1085 O VAL A 69 -4.037 -10.380 -15.688 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.399 -8.693 -18.139 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.641 -7.875 -16.880 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.207 -7.786 -19.345 1.00 0.00 C ATOM 0 H VAL A 69 -4.510 -10.147 -19.960 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.308 -9.008 -17.705 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.278 -9.313 -18.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.508 -7.230 -17.026 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.825 -8.545 -16.040 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.764 -7.262 -16.670 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.079 -7.142 -19.458 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.318 -7.172 -19.201 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.086 -8.394 -20.242 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.170 -11.670 -17.143 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.505 -12.684 -16.151 1.00 0.00 C ATOM 1100 C ILE A 70 -4.264 -13.456 -15.713 1.00 0.00 C ATOM 1101 O ILE A 70 -4.089 -13.750 -14.531 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.549 -13.678 -16.692 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.744 -12.926 -17.282 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.003 -14.623 -15.589 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.333 -11.897 -16.342 1.00 0.00 C ATOM 0 H ILE A 70 -5.526 -11.862 -18.079 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.925 -12.159 -15.293 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.089 -14.270 -17.484 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.433 -12.431 -18.202 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.518 -13.644 -17.553 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.741 -15.319 -15.987 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.146 -15.180 -15.211 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.448 -14.048 -14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.176 -11.403 -16.825 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.675 -12.389 -15.432 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.573 -11.157 -16.091 1.00 0.00 H new ATOM 1117 N SER A 71 -3.405 -13.779 -16.674 1.00 0.00 N ATOM 1118 CA SER A 71 -2.181 -14.518 -16.389 1.00 0.00 C ATOM 1119 C SER A 71 -1.307 -13.758 -15.395 1.00 0.00 C ATOM 1120 O SER A 71 -0.850 -14.318 -14.398 1.00 0.00 O ATOM 1121 CB SER A 71 -1.401 -14.773 -17.680 1.00 0.00 C ATOM 1122 OG SER A 71 -2.139 -15.595 -18.567 1.00 0.00 O ATOM 0 H SER A 71 -3.534 -13.540 -17.657 1.00 0.00 H new ATOM 0 HA SER A 71 -2.458 -15.475 -15.946 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.172 -13.824 -18.164 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.449 -15.249 -17.445 1.00 0.00 H new ATOM 0 HG SER A 71 -2.893 -15.087 -18.933 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.078 -12.479 -15.675 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.260 -11.641 -14.807 1.00 0.00 C ATOM 1130 C VAL A 72 -0.946 -11.404 -13.466 1.00 0.00 C ATOM 1131 O VAL A 72 -0.304 -11.423 -12.415 1.00 0.00 O ATOM 1132 CB VAL A 72 0.044 -10.281 -15.463 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.909 -10.467 -16.701 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.248 -9.557 -15.809 1.00 0.00 C ATOM 0 H VAL A 72 -1.448 -12.001 -16.497 1.00 0.00 H new ATOM 0 HA VAL A 72 0.676 -12.174 -14.644 1.00 0.00 H new ATOM 0 HB VAL A 72 0.598 -9.669 -14.751 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.114 -9.496 -17.151 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.849 -10.942 -16.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.385 -11.097 -17.420 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.015 -8.598 -16.272 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.830 -10.163 -16.503 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.826 -9.390 -14.900 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.255 -11.181 -13.510 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.031 -10.940 -12.298 1.00 0.00 C ATOM 1146 C LEU A 73 -3.024 -12.169 -11.394 1.00 0.00 C ATOM 1147 O LEU A 73 -3.132 -12.053 -10.174 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.469 -10.564 -12.656 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.685 -9.136 -13.159 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.996 -9.031 -13.922 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.660 -8.152 -11.998 1.00 0.00 C ATOM 0 H LEU A 73 -2.801 -11.162 -14.371 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.570 -10.113 -11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.824 -11.255 -13.421 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.093 -10.716 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.872 -8.884 -13.840 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.132 -8.008 -14.272 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.975 -9.707 -14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.822 -9.303 -13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.815 -7.141 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.452 -8.402 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.695 -8.207 -11.495 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.894 -13.343 -12.002 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.872 -14.593 -11.252 1.00 0.00 C ATOM 1165 C GLN A 74 -1.459 -14.917 -10.777 1.00 0.00 C ATOM 1166 O GLN A 74 -1.271 -15.511 -9.714 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.409 -15.739 -12.111 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.837 -16.135 -11.773 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.023 -16.447 -10.301 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.053 -16.632 -9.566 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.275 -16.506 -9.862 1.00 0.00 N ATOM 0 H GLN A 74 -2.802 -13.455 -13.012 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.512 -14.474 -10.378 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.360 -15.449 -13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.762 -16.607 -11.990 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.511 -15.327 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.118 -17.007 -12.364 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.049 -16.346 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.462 -16.711 -8.881 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.469 -14.524 -11.570 1.00 0.00 N ATOM 1181 CA LYS A 75 0.928 -14.772 -11.232 1.00 0.00 C ATOM 1182 C LYS A 75 1.338 -13.974 -9.998 1.00 0.00 C ATOM 1183 O LYS A 75 1.819 -14.536 -9.015 1.00 0.00 O ATOM 1184 CB LYS A 75 1.832 -14.409 -12.412 1.00 0.00 C ATOM 1185 CG LYS A 75 1.933 -15.503 -13.460 1.00 0.00 C ATOM 1186 CD LYS A 75 3.304 -15.523 -14.115 1.00 0.00 C ATOM 1187 CE LYS A 75 3.445 -14.413 -15.145 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.843 -14.296 -15.646 1.00 0.00 N ATOM 0 H LYS A 75 -0.608 -14.032 -12.453 1.00 0.00 H new ATOM 0 HA LYS A 75 1.040 -15.833 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.454 -13.501 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.830 -14.183 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.735 -16.470 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.167 -15.351 -14.221 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.075 -15.413 -13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.465 -16.489 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.774 -14.607 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.137 -13.466 -14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.898 -13.529 -16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.480 -14.086 -14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.128 -15.192 -16.091 1.00 0.00 H new ATOM 1202 N TYR A 76 1.144 -12.661 -10.057 1.00 0.00 N ATOM 1203 CA TYR A 76 1.495 -11.786 -8.945 1.00 0.00 C ATOM 1204 C TYR A 76 0.672 -12.123 -7.706 1.00 0.00 C ATOM 1205 O TYR A 76 1.105 -11.889 -6.577 1.00 0.00 O ATOM 1206 CB TYR A 76 1.278 -10.322 -9.333 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.035 -9.754 -8.842 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.218 -9.990 -9.533 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -0.093 -8.981 -7.689 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.419 -9.473 -9.089 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.291 -8.462 -7.237 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.451 -8.710 -7.941 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.645 -8.193 -7.495 1.00 0.00 O ATOM 0 H TYR A 76 0.746 -12.179 -10.863 1.00 0.00 H new ATOM 0 HA TYR A 76 2.548 -11.941 -8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.096 -9.723 -8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.320 -10.232 -10.419 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.197 -10.588 -10.432 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.814 -8.782 -7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.329 -9.665 -9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.319 -7.865 -6.337 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.493 -7.681 -6.673 1.00 0.00 H new ATOM 1223 N SER A 77 -0.517 -12.675 -7.925 1.00 0.00 N ATOM 1224 CA SER A 77 -1.403 -13.042 -6.827 1.00 0.00 C ATOM 1225 C SER A 77 -0.949 -14.344 -6.175 1.00 0.00 C ATOM 1226 O SER A 77 -1.192 -14.575 -4.991 1.00 0.00 O ATOM 1227 CB SER A 77 -2.841 -13.185 -7.330 1.00 0.00 C ATOM 1228 OG SER A 77 -2.980 -14.324 -8.162 1.00 0.00 O ATOM 0 H SER A 77 -0.889 -12.878 -8.853 1.00 0.00 H new ATOM 0 HA SER A 77 -1.364 -12.249 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.520 -13.266 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.127 -12.290 -7.883 1.00 0.00 H new ATOM 0 HG SER A 77 -2.095 -14.618 -8.465 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.288 -15.192 -6.957 1.00 0.00 N ATOM 1235 CA GLU A 78 0.200 -16.471 -6.456 1.00 0.00 C ATOM 1236 C GLU A 78 -0.919 -17.249 -5.770 1.00 0.00 C ATOM 1237 O GLU A 78 -0.897 -17.450 -4.556 1.00 0.00 O ATOM 1238 CB GLU A 78 1.357 -16.254 -5.478 1.00 0.00 C ATOM 1239 CG GLU A 78 2.515 -15.469 -6.071 1.00 0.00 C ATOM 1240 CD GLU A 78 3.502 -15.001 -5.019 1.00 0.00 C ATOM 1241 OE1 GLU A 78 4.340 -15.818 -4.586 1.00 0.00 O ATOM 1242 OE2 GLU A 78 3.435 -13.816 -4.630 1.00 0.00 O ATOM 0 H GLU A 78 -0.078 -15.016 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 78 0.556 -17.052 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.985 -15.728 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.722 -17.224 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.035 -16.090 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.126 -14.604 -6.609 1.00 0.00 H new ATOM 1249 N TRP A 79 -1.897 -17.684 -6.557 1.00 0.00 N ATOM 1250 CA TRP A 79 -3.026 -18.440 -6.027 1.00 0.00 C ATOM 1251 C TRP A 79 -2.599 -19.847 -5.626 1.00 0.00 C ATOM 1252 O TRP A 79 -3.136 -20.425 -4.680 1.00 0.00 O ATOM 1253 CB TRP A 79 -4.150 -18.510 -7.061 1.00 0.00 C ATOM 1254 CG TRP A 79 -3.848 -19.429 -8.206 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -2.890 -19.258 -9.163 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -4.509 -20.662 -8.512 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -2.915 -20.310 -10.047 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -3.899 -21.185 -9.669 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -5.555 -21.375 -7.922 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -4.302 -22.387 -10.245 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -5.955 -22.568 -8.494 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -5.329 -23.064 -9.646 1.00 0.00 C ATOM 0 H TRP A 79 -1.931 -17.526 -7.564 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.391 -17.925 -5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.065 -18.841 -6.570 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.340 -17.509 -7.448 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.212 -18.419 -9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.301 -20.421 -10.854 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.043 -21.001 -7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.821 -22.771 -11.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.763 -23.127 -8.046 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.664 -23.999 -10.069 1.00 0.00 H new ATOM 1273 N THR A 80 -1.628 -20.395 -6.350 1.00 0.00 N ATOM 1274 CA THR A 80 -1.130 -21.736 -6.070 1.00 0.00 C ATOM 1275 C THR A 80 0.246 -21.685 -5.415 1.00 0.00 C ATOM 1276 O THR A 80 0.805 -20.609 -5.205 1.00 0.00 O ATOM 1277 CB THR A 80 -1.044 -22.583 -7.354 1.00 0.00 C ATOM 1278 OG1 THR A 80 -1.137 -21.737 -8.505 1.00 0.00 O ATOM 1279 CG2 THR A 80 -2.152 -23.624 -7.391 1.00 0.00 C ATOM 0 H THR A 80 -1.171 -19.931 -7.135 1.00 0.00 H new ATOM 0 HA THR A 80 -1.839 -22.200 -5.385 1.00 0.00 H new ATOM 0 HB THR A 80 -0.084 -23.099 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.051 -21.392 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.071 -24.210 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.060 -24.284 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.121 -23.125 -7.364 1.00 0.00 H new ATOM 1287 N SER A 81 0.787 -22.856 -5.094 1.00 0.00 N ATOM 1288 CA SER A 81 2.097 -22.945 -4.460 1.00 0.00 C ATOM 1289 C SER A 81 2.082 -22.279 -3.087 1.00 0.00 C ATOM 1290 O SER A 81 2.704 -21.239 -2.867 1.00 0.00 O ATOM 1291 CB SER A 81 3.161 -22.292 -5.345 1.00 0.00 C ATOM 1292 OG SER A 81 4.463 -22.701 -4.963 1.00 0.00 O ATOM 0 H SER A 81 0.338 -23.756 -5.263 1.00 0.00 H new ATOM 0 HA SER A 81 2.340 -24.000 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.984 -22.557 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.082 -21.207 -5.274 1.00 0.00 H new ATOM 0 HG SER A 81 5.125 -22.271 -5.544 1.00 0.00 H new ATOM 1298 N PRO A 82 1.355 -22.891 -2.141 1.00 0.00 N ATOM 1299 CA PRO A 82 1.241 -22.376 -0.774 1.00 0.00 C ATOM 1300 C PRO A 82 2.545 -22.507 0.006 1.00 0.00 C ATOM 1301 O PRO A 82 3.521 -23.068 -0.490 1.00 0.00 O ATOM 1302 CB PRO A 82 0.155 -23.258 -0.152 1.00 0.00 C ATOM 1303 CG PRO A 82 0.202 -24.525 -0.934 1.00 0.00 C ATOM 1304 CD PRO A 82 0.588 -24.133 -2.334 1.00 0.00 C ATOM 0 HA PRO A 82 1.006 -21.312 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.349 -23.438 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.825 -22.787 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.927 -25.219 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.765 -25.027 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.188 -24.905 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.288 -23.971 -2.962 1.00 0.00 H new ATOM 1312 N ALA A 83 2.553 -21.986 1.228 1.00 0.00 N ATOM 1313 CA ALA A 83 3.737 -22.048 2.077 1.00 0.00 C ATOM 1314 C ALA A 83 4.168 -23.491 2.314 1.00 0.00 C ATOM 1315 O ALA A 83 3.576 -24.198 3.129 1.00 0.00 O ATOM 1316 CB ALA A 83 3.473 -21.349 3.402 1.00 0.00 C ATOM 0 H ALA A 83 1.753 -21.516 1.653 1.00 0.00 H new ATOM 0 HA ALA A 83 4.550 -21.534 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.365 -21.403 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.221 -20.305 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.643 -21.838 3.912 1.00 0.00 H new ATOM 1322 N GLU A 84 5.201 -23.921 1.597 1.00 0.00 N ATOM 1323 CA GLU A 84 5.710 -25.281 1.730 1.00 0.00 C ATOM 1324 C GLU A 84 6.667 -25.391 2.913 1.00 0.00 C ATOM 1325 O GLU A 84 6.996 -26.491 3.358 1.00 0.00 O ATOM 1326 CB GLU A 84 6.419 -25.712 0.444 1.00 0.00 C ATOM 1327 CG GLU A 84 6.550 -27.219 0.297 1.00 0.00 C ATOM 1328 CD GLU A 84 7.382 -27.617 -0.906 1.00 0.00 C ATOM 1329 OE1 GLU A 84 6.937 -27.362 -2.045 1.00 0.00 O ATOM 1330 OE2 GLU A 84 8.477 -28.184 -0.710 1.00 0.00 O ATOM 0 H GLU A 84 5.702 -23.348 0.918 1.00 0.00 H new ATOM 0 HA GLU A 84 4.862 -25.943 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.872 -25.318 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.413 -25.265 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.002 -27.630 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.557 -27.660 0.209 1.00 0.00 H new ATOM 1337 N ASP A 85 7.109 -24.245 3.417 1.00 0.00 N ATOM 1338 CA ASP A 85 8.028 -24.211 4.549 1.00 0.00 C ATOM 1339 C ASP A 85 7.451 -24.969 5.740 1.00 0.00 C ATOM 1340 O ASP A 85 7.011 -24.364 6.719 1.00 0.00 O ATOM 1341 CB ASP A 85 8.329 -22.765 4.946 1.00 0.00 C ATOM 1342 CG ASP A 85 9.423 -22.147 4.097 1.00 0.00 C ATOM 1343 OD1 ASP A 85 9.198 -21.961 2.883 1.00 0.00 O ATOM 1344 OD2 ASP A 85 10.503 -21.849 4.648 1.00 0.00 O ATOM 0 H ASP A 85 6.846 -23.327 3.060 1.00 0.00 H new ATOM 0 HA ASP A 85 8.956 -24.697 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.421 -22.169 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.625 -22.733 5.995 1.00 0.00 H new TER 1349 ASP A 85