USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 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 -170:sc= 1.3 USER MOD Set 1.2: A 107 SER OG : rot 59:sc= 1.16 USER MOD Set 2.1: A 49 TYR OH : rot -19:sc= 1.3 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0.848 K(o=2.2,f=-7.3!) USER MOD Set 3.1: A 23 MET CE :methyl -161:sc= -1.35 (180deg=-2.55!) USER MOD Set 3.2: A 41 MET CE :methyl -171:sc= -1.29 (180deg=-1.46) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00405 K(o=-0.004,f=-2.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 26 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.89) USER MOD Single : A 35 THR OG1 : rot -25:sc= 0.071 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 47 THR OG1 : rot -91:sc= 1.46 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.08) USER MOD Single : A 55 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.502 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -19:sc= 1.33 USER MOD Single : A 68 SER OG : rot -151:sc= 1.27 USER MOD Single : A 70 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.09) USER MOD Single : A 72 MET CE :methyl -169:sc= -0.103 (180deg=-0.393) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.534 K(o=-0.53,f=-4!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) 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=-0.00419 K(o=-0.0042,f=-7.7!) USER MOD Single : A 89 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.2) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 113:sc= 1.2 USER MOD Single : A 96 THR OG1 : rot 143:sc= 0.644 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0395 K(o=-0.04,f=-1.3) USER MOD Single : A 109 CYS SG : rot -15:sc= 1.02 USER MOD Single : A 111 SER OG : rot 81:sc= 1.22 USER MOD Single : A 114 SER OG : rot 74:sc= 0.00722 USER MOD Single : A 115 MET CE :methyl 173:sc= -0.683 (180deg=-0.825) USER MOD Single : A 117 SER OG : rot -79:sc= 0.965 USER MOD Single : A 118 SER OG : rot -61:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.039 -7.787 -18.457 1.00 0.00 N ATOM 42 CA MET A 4 0.253 -7.415 -17.068 1.00 0.00 C ATOM 43 C MET A 4 0.364 -5.901 -16.970 1.00 0.00 C ATOM 44 O MET A 4 -0.139 -5.299 -16.021 1.00 0.00 O ATOM 45 CB MET A 4 1.496 -8.104 -16.524 1.00 0.00 C ATOM 46 CG MET A 4 1.331 -9.609 -16.376 1.00 0.00 C ATOM 47 SD MET A 4 2.816 -10.410 -15.744 1.00 0.00 S ATOM 48 CE MET A 4 2.256 -12.093 -15.507 1.00 0.00 C ATOM 0 HA MET A 4 -0.592 -7.741 -16.461 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.336 -7.901 -17.188 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.746 -7.675 -15.553 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.498 -9.815 -15.704 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.074 -10.040 -17.344 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.076 -12.698 -15.119 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.429 -12.105 -14.797 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.922 -12.503 -16.460 1.00 0.00 H new ATOM 58 N GLN A 5 1.033 -5.305 -17.956 1.00 0.00 N ATOM 59 CA GLN A 5 1.190 -3.862 -18.043 1.00 0.00 C ATOM 60 C GLN A 5 -0.165 -3.239 -18.335 1.00 0.00 C ATOM 61 O GLN A 5 -0.482 -2.183 -17.792 1.00 0.00 O ATOM 62 CB GLN A 5 2.210 -3.488 -19.122 1.00 0.00 C ATOM 63 CG GLN A 5 3.637 -3.867 -18.773 1.00 0.00 C ATOM 64 CD GLN A 5 4.627 -3.580 -19.890 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.367 -3.763 -21.086 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.805 -3.111 -19.492 1.00 0.00 N ATOM 0 H GLN A 5 1.481 -5.815 -18.717 1.00 0.00 H new ATOM 0 HA GLN A 5 1.568 -3.479 -17.095 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.932 -3.976 -20.056 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.162 -2.413 -19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.941 -3.323 -17.879 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.674 -4.929 -18.528 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.989 -2.971 -18.499 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.525 -2.891 -20.180 1.00 0.00 H new ATOM 75 N LYS A 6 -0.949 -3.894 -19.194 1.00 0.00 N ATOM 76 CA LYS A 6 -2.293 -3.436 -19.507 1.00 0.00 C ATOM 77 C LYS A 6 -3.143 -3.470 -18.248 1.00 0.00 C ATOM 78 O LYS A 6 -3.937 -2.555 -18.035 1.00 0.00 O ATOM 79 CB LYS A 6 -2.916 -4.302 -20.601 1.00 0.00 C ATOM 80 CG LYS A 6 -2.293 -4.117 -21.978 1.00 0.00 C ATOM 81 CD LYS A 6 -2.935 -5.031 -23.012 1.00 0.00 C ATOM 82 CE LYS A 6 -2.288 -4.859 -24.380 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.895 -5.756 -25.402 1.00 0.00 N ATOM 0 H LYS A 6 -0.670 -4.744 -19.683 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.245 -2.412 -19.878 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.828 -5.350 -20.313 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.981 -4.077 -20.664 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.403 -3.079 -22.291 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.224 -4.322 -21.925 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.842 -6.069 -22.691 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.001 -4.813 -23.081 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.390 -3.822 -24.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.220 -5.066 -24.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.425 -5.607 -26.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.776 -6.747 -25.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.909 -5.542 -25.494 1.00 0.00 H new ATOM 97 N ARG A 7 -2.988 -4.521 -17.439 1.00 0.00 N ATOM 98 CA ARG A 7 -3.674 -4.628 -16.161 1.00 0.00 C ATOM 99 C ARG A 7 -3.282 -3.475 -15.250 1.00 0.00 C ATOM 100 O ARG A 7 -4.157 -2.917 -14.593 1.00 0.00 O ATOM 101 CB ARG A 7 -3.385 -5.954 -15.481 1.00 0.00 C ATOM 102 CG ARG A 7 -4.135 -6.143 -14.175 1.00 0.00 C ATOM 103 CD ARG A 7 -3.879 -7.468 -13.558 1.00 0.00 C ATOM 104 NE ARG A 7 -4.639 -7.614 -12.329 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.210 -7.185 -11.127 1.00 0.00 C ATOM 106 NH1 ARG A 7 -3.035 -6.612 -11.044 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.961 -7.333 -10.054 1.00 0.00 N ATOM 0 H ARG A 7 -2.385 -5.315 -17.655 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.745 -4.579 -16.357 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.645 -6.766 -16.160 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.315 -6.029 -15.290 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.844 -5.358 -13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.204 -6.030 -14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.151 -8.259 -14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.815 -7.579 -13.349 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.551 -8.068 -12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.463 -6.498 -11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.692 -6.280 -10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.877 -7.776 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.627 -7.004 -9.148 1.00 0.00 H new ATOM 121 N LEU A 8 -1.991 -3.132 -15.194 1.00 0.00 N ATOM 122 CA LEU A 8 -1.544 -1.989 -14.403 1.00 0.00 C ATOM 123 C LEU A 8 -2.187 -0.695 -14.901 1.00 0.00 C ATOM 124 O LEU A 8 -2.561 0.153 -14.092 1.00 0.00 O ATOM 125 CB LEU A 8 -0.013 -1.869 -14.458 1.00 0.00 C ATOM 126 CG LEU A 8 0.819 -2.921 -13.715 1.00 0.00 C ATOM 127 CD1 LEU A 8 2.291 -2.746 -14.062 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.631 -2.736 -12.220 1.00 0.00 C ATOM 0 H LEU A 8 -1.245 -3.627 -15.684 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.852 -2.151 -13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.286 -1.886 -15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.259 -0.889 -14.065 1.00 0.00 H new ATOM 0 HG LEU A 8 0.494 -3.919 -14.009 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.881 -3.494 -13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.429 -2.868 -15.136 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.619 -1.750 -13.765 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.220 -3.481 -11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.961 -1.738 -11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.423 -2.857 -11.968 1.00 0.00 H new ATOM 140 N GLN A 9 -2.333 -0.543 -16.216 1.00 0.00 N ATOM 141 CA GLN A 9 -3.008 0.629 -16.755 1.00 0.00 C ATOM 142 C GLN A 9 -4.469 0.637 -16.315 1.00 0.00 C ATOM 143 O GLN A 9 -5.009 1.698 -16.003 1.00 0.00 O ATOM 144 CB GLN A 9 -2.892 0.662 -18.278 1.00 0.00 C ATOM 145 CG GLN A 9 -1.489 0.952 -18.779 1.00 0.00 C ATOM 146 CD GLN A 9 -1.377 0.867 -20.290 1.00 0.00 C ATOM 147 OE1 GLN A 9 -1.768 -0.125 -20.913 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.850 1.924 -20.894 1.00 0.00 N ATOM 0 H GLN A 9 -1.998 -1.206 -16.915 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.526 1.526 -16.365 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.220 -0.297 -18.679 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.571 1.420 -18.669 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.190 1.948 -18.452 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.793 0.245 -18.327 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.539 2.724 -20.343 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.756 1.937 -21.910 1.00 0.00 H new ATOM 157 N LYS A 10 -5.102 -0.536 -16.296 1.00 0.00 N ATOM 158 CA LYS A 10 -6.472 -0.658 -15.823 1.00 0.00 C ATOM 159 C LYS A 10 -6.573 -0.326 -14.339 1.00 0.00 C ATOM 160 O LYS A 10 -7.590 0.225 -13.921 1.00 0.00 O ATOM 161 CB LYS A 10 -7.005 -2.065 -16.086 1.00 0.00 C ATOM 162 CG LYS A 10 -7.253 -2.382 -17.553 1.00 0.00 C ATOM 163 CD LYS A 10 -7.739 -3.812 -17.729 1.00 0.00 C ATOM 164 CE LYS A 10 -7.980 -4.139 -19.195 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.441 -5.543 -19.381 1.00 0.00 N ATOM 0 H LYS A 10 -4.683 -1.414 -16.604 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.081 0.059 -16.374 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.295 -2.789 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.937 -2.195 -15.537 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.992 -1.691 -17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.334 -2.234 -18.121 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.002 -4.502 -17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.661 -3.957 -17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.725 -3.455 -19.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.060 -3.981 -19.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.594 -5.727 -20.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.719 -6.197 -19.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.332 -5.687 -18.864 1.00 0.00 H new ATOM 179 N GLU A 11 -5.548 -0.669 -13.547 1.00 0.00 N ATOM 180 CA GLU A 11 -5.546 -0.329 -12.129 1.00 0.00 C ATOM 181 C GLU A 11 -5.483 1.178 -11.958 1.00 0.00 C ATOM 182 O GLU A 11 -6.122 1.714 -11.051 1.00 0.00 O ATOM 183 CB GLU A 11 -4.362 -0.942 -11.378 1.00 0.00 C ATOM 184 CG GLU A 11 -4.364 -2.454 -11.232 1.00 0.00 C ATOM 185 CD GLU A 11 -3.194 -2.916 -10.423 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.667 -2.104 -9.705 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.817 -4.062 -10.506 1.00 0.00 O ATOM 0 H GLU A 11 -4.722 -1.176 -13.865 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.467 -0.735 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.445 -0.649 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.325 -0.503 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.290 -2.776 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.335 -2.918 -12.218 1.00 0.00 H new ATOM 194 N LEU A 12 -4.705 1.848 -12.814 1.00 0.00 N ATOM 195 CA LEU A 12 -4.634 3.300 -12.779 1.00 0.00 C ATOM 196 C LEU A 12 -5.987 3.904 -13.087 1.00 0.00 C ATOM 197 O LEU A 12 -6.402 4.841 -12.407 1.00 0.00 O ATOM 198 CB LEU A 12 -3.619 3.821 -13.804 1.00 0.00 C ATOM 199 CG LEU A 12 -2.155 3.530 -13.497 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.286 3.906 -14.690 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.767 4.335 -12.272 1.00 0.00 C ATOM 0 H LEU A 12 -4.125 1.409 -13.529 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.320 3.591 -11.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.859 3.390 -14.776 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.744 4.900 -13.894 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.008 2.468 -13.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.242 3.694 -14.461 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.591 3.325 -15.560 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.402 4.968 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.722 4.146 -12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.906 5.397 -12.475 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.394 4.042 -11.430 1.00 0.00 H new ATOM 213 N LEU A 13 -6.668 3.347 -14.087 1.00 0.00 N ATOM 214 CA LEU A 13 -7.987 3.821 -14.465 1.00 0.00 C ATOM 215 C LEU A 13 -9.012 3.595 -13.367 1.00 0.00 C ATOM 216 O LEU A 13 -9.856 4.461 -13.148 1.00 0.00 O ATOM 217 CB LEU A 13 -8.430 3.103 -15.742 1.00 0.00 C ATOM 218 CG LEU A 13 -7.643 3.479 -17.002 1.00 0.00 C ATOM 219 CD1 LEU A 13 -8.048 2.555 -18.142 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.924 4.935 -17.340 1.00 0.00 C ATOM 0 H LEU A 13 -6.323 2.567 -14.647 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.924 4.896 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.344 2.028 -15.585 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.485 3.316 -15.914 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.572 3.362 -16.837 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.490 2.819 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.828 1.523 -17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.116 2.660 -18.334 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.369 5.214 -18.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.991 5.068 -17.518 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.614 5.568 -16.509 1.00 0.00 H new ATOM 232 N ALA A 14 -8.940 2.448 -12.690 1.00 0.00 N ATOM 233 CA ALA A 14 -9.842 2.125 -11.594 1.00 0.00 C ATOM 234 C ALA A 14 -9.670 3.099 -10.441 1.00 0.00 C ATOM 235 O ALA A 14 -10.664 3.567 -9.881 1.00 0.00 O ATOM 236 CB ALA A 14 -9.595 0.704 -11.117 1.00 0.00 C ATOM 0 H ALA A 14 -8.254 1.720 -12.889 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.865 2.208 -11.960 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.275 0.472 -10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.768 0.009 -11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.565 0.610 -10.772 1.00 0.00 H new ATOM 242 N LEU A 15 -8.414 3.394 -10.104 1.00 0.00 N ATOM 243 CA LEU A 15 -8.110 4.334 -9.040 1.00 0.00 C ATOM 244 C LEU A 15 -8.629 5.711 -9.410 1.00 0.00 C ATOM 245 O LEU A 15 -9.177 6.405 -8.561 1.00 0.00 O ATOM 246 CB LEU A 15 -6.611 4.406 -8.752 1.00 0.00 C ATOM 247 CG LEU A 15 -6.291 5.364 -7.601 1.00 0.00 C ATOM 248 CD1 LEU A 15 -6.987 4.863 -6.353 1.00 0.00 C ATOM 249 CD2 LEU A 15 -4.792 5.460 -7.380 1.00 0.00 C ATOM 0 H LEU A 15 -7.594 2.991 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.603 3.981 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.241 3.410 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.085 4.730 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.648 6.364 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.770 5.534 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.063 4.833 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.629 3.861 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.589 6.146 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.396 4.474 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.313 5.829 -8.287 1.00 0.00 H new ATOM 261 N GLN A 16 -8.424 6.130 -10.657 1.00 0.00 N ATOM 262 CA GLN A 16 -8.931 7.414 -11.121 1.00 0.00 C ATOM 263 C GLN A 16 -10.452 7.478 -11.088 1.00 0.00 C ATOM 264 O GLN A 16 -11.015 8.523 -10.762 1.00 0.00 O ATOM 265 CB GLN A 16 -8.432 7.685 -12.540 1.00 0.00 C ATOM 266 CG GLN A 16 -6.945 7.976 -12.628 1.00 0.00 C ATOM 267 CD GLN A 16 -6.462 8.092 -14.058 1.00 0.00 C ATOM 268 OE1 GLN A 16 -7.141 7.667 -14.997 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.280 8.670 -14.235 1.00 0.00 N ATOM 0 H GLN A 16 -7.911 5.599 -11.361 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.556 8.179 -10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.660 6.822 -13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.982 8.531 -12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.727 8.903 -12.098 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.392 7.183 -12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.752 9.007 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.900 8.777 -15.176 1.00 0.00 H new ATOM 278 N ASN A 17 -11.120 6.380 -11.438 1.00 0.00 N ATOM 279 CA ASN A 17 -12.573 6.339 -11.392 1.00 0.00 C ATOM 280 C ASN A 17 -13.118 6.457 -9.973 1.00 0.00 C ATOM 281 O ASN A 17 -14.153 7.093 -9.769 1.00 0.00 O ATOM 282 CB ASN A 17 -13.078 5.067 -12.043 1.00 0.00 C ATOM 283 CG ASN A 17 -12.945 5.100 -13.540 1.00 0.00 C ATOM 284 OD1 ASN A 17 -12.842 6.173 -14.147 1.00 0.00 O ATOM 285 ND2 ASN A 17 -12.947 3.943 -14.149 1.00 0.00 N ATOM 0 H ASN A 17 -10.679 5.516 -11.753 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.937 7.204 -11.946 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.523 4.215 -11.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.124 4.916 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.861 3.901 -15.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.034 3.082 -13.609 1.00 0.00 H new ATOM 292 N ASP A 18 -12.450 5.851 -8.994 1.00 0.00 N ATOM 293 CA ASP A 18 -12.926 5.994 -7.624 1.00 0.00 C ATOM 294 C ASP A 18 -11.834 5.856 -6.568 1.00 0.00 C ATOM 295 O ASP A 18 -11.731 4.802 -5.943 1.00 0.00 O ATOM 296 CB ASP A 18 -14.006 4.946 -7.349 1.00 0.00 C ATOM 297 CG ASP A 18 -14.683 5.116 -5.996 1.00 0.00 C ATOM 298 OD1 ASP A 18 -14.324 6.020 -5.280 1.00 0.00 O ATOM 299 OD2 ASP A 18 -15.552 4.335 -5.689 1.00 0.00 O ATOM 0 H ASP A 18 -11.613 5.280 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.317 7.008 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.761 4.998 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.560 3.953 -7.402 1.00 0.00 H new ATOM 304 N PRO A 19 -11.016 6.891 -6.350 1.00 0.00 N ATOM 305 CA PRO A 19 -9.983 6.885 -5.347 1.00 0.00 C ATOM 306 C PRO A 19 -10.581 7.069 -3.952 1.00 0.00 C ATOM 307 O PRO A 19 -11.377 7.989 -3.768 1.00 0.00 O ATOM 308 CB PRO A 19 -9.145 8.094 -5.779 1.00 0.00 C ATOM 309 CG PRO A 19 -10.126 9.009 -6.476 1.00 0.00 C ATOM 310 CD PRO A 19 -11.198 8.135 -7.103 1.00 0.00 C ATOM 0 HA PRO A 19 -9.413 5.958 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.686 8.585 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.336 7.797 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.568 9.709 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.621 9.603 -7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.197 8.552 -6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.044 7.996 -8.173 1.00 0.00 H new ATOM 318 N PRO A 20 -10.255 6.218 -2.972 1.00 0.00 N ATOM 319 CA PRO A 20 -10.675 6.364 -1.597 1.00 0.00 C ATOM 320 C PRO A 20 -10.209 7.702 -1.014 1.00 0.00 C ATOM 321 O PRO A 20 -9.131 8.168 -1.393 1.00 0.00 O ATOM 322 CB PRO A 20 -9.988 5.164 -0.938 1.00 0.00 C ATOM 323 CG PRO A 20 -9.797 4.181 -2.062 1.00 0.00 C ATOM 324 CD PRO A 20 -9.495 5.012 -3.291 1.00 0.00 C ATOM 0 HA PRO A 20 -11.755 6.376 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.035 5.447 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.601 4.743 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.980 3.493 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.692 3.577 -2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.430 5.210 -3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.835 4.536 -4.211 1.00 0.00 H new ATOM 332 N PRO A 21 -10.984 8.327 -0.122 1.00 0.00 N ATOM 333 CA PRO A 21 -10.650 9.581 0.517 1.00 0.00 C ATOM 334 C PRO A 21 -9.275 9.561 1.163 1.00 0.00 C ATOM 335 O PRO A 21 -8.960 8.680 1.963 1.00 0.00 O ATOM 336 CB PRO A 21 -11.768 9.680 1.561 1.00 0.00 C ATOM 337 CG PRO A 21 -12.913 8.926 0.946 1.00 0.00 C ATOM 338 CD PRO A 21 -12.285 7.747 0.236 1.00 0.00 C ATOM 0 HA PRO A 21 -10.593 10.425 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.466 9.240 2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.036 10.718 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.619 8.595 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.467 9.554 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.188 6.875 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.856 7.434 -0.638 1.00 0.00 H new ATOM 346 N GLY A 22 -8.473 10.564 0.821 1.00 0.00 N ATOM 347 CA GLY A 22 -7.117 10.691 1.336 1.00 0.00 C ATOM 348 C GLY A 22 -6.078 10.004 0.450 1.00 0.00 C ATOM 349 O GLY A 22 -4.883 10.080 0.729 1.00 0.00 O ATOM 0 H GLY A 22 -8.745 11.310 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.866 11.748 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.073 10.264 2.338 1.00 0.00 H new ATOM 353 N MET A 23 -6.501 9.303 -0.603 1.00 0.00 N ATOM 354 CA MET A 23 -5.531 8.630 -1.459 1.00 0.00 C ATOM 355 C MET A 23 -5.260 9.383 -2.762 1.00 0.00 C ATOM 356 O MET A 23 -6.115 9.399 -3.651 1.00 0.00 O ATOM 357 CB MET A 23 -6.047 7.234 -1.789 1.00 0.00 C ATOM 358 CG MET A 23 -5.093 6.352 -2.573 1.00 0.00 C ATOM 359 SD MET A 23 -5.847 4.764 -2.955 1.00 0.00 S ATOM 360 CE MET A 23 -6.307 4.242 -1.309 1.00 0.00 C ATOM 0 H MET A 23 -7.477 9.189 -0.876 1.00 0.00 H new ATOM 0 HA MET A 23 -4.590 8.586 -0.911 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.298 6.729 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.972 7.333 -2.357 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.805 6.853 -3.497 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.181 6.196 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.474 3.165 -1.302 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.507 4.490 -0.612 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.222 4.752 -1.008 1.00 0.00 H new ATOM 370 N THR A 24 -4.088 10.009 -2.881 1.00 0.00 N ATOM 371 CA THR A 24 -3.682 10.691 -4.109 1.00 0.00 C ATOM 372 C THR A 24 -3.404 9.678 -5.214 1.00 0.00 C ATOM 373 O THR A 24 -2.928 8.574 -4.957 1.00 0.00 O ATOM 374 CB THR A 24 -2.448 11.588 -3.895 1.00 0.00 C ATOM 375 OG1 THR A 24 -2.764 12.590 -2.922 1.00 0.00 O ATOM 376 CG2 THR A 24 -2.007 12.282 -5.172 1.00 0.00 C ATOM 0 H THR A 24 -3.397 10.057 -2.132 1.00 0.00 H new ATOM 0 HA THR A 24 -4.510 11.334 -4.407 1.00 0.00 H new ATOM 0 HB THR A 24 -1.632 10.947 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.339 12.363 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.134 12.902 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.753 11.534 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.817 12.909 -5.544 1.00 0.00 H new ATOM 384 N LEU A 25 -3.772 10.037 -6.437 1.00 0.00 N ATOM 385 CA LEU A 25 -3.569 9.186 -7.601 1.00 0.00 C ATOM 386 C LEU A 25 -2.085 8.851 -7.801 1.00 0.00 C ATOM 387 O LEU A 25 -1.204 9.626 -7.424 1.00 0.00 O ATOM 388 CB LEU A 25 -4.099 9.900 -8.850 1.00 0.00 C ATOM 389 CG LEU A 25 -5.607 10.188 -8.861 1.00 0.00 C ATOM 390 CD1 LEU A 25 -5.956 10.989 -10.107 1.00 0.00 C ATOM 391 CD2 LEU A 25 -6.370 8.882 -8.801 1.00 0.00 C ATOM 0 H LEU A 25 -4.220 10.928 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.109 8.254 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.566 10.845 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.857 9.294 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.888 10.780 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.026 11.196 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.405 11.929 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.687 10.416 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.441 9.086 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.111 8.269 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.109 8.350 -7.887 1.00 0.00 H new ATOM 403 N ASN A 26 -1.812 7.717 -8.437 1.00 0.00 N ATOM 404 CA ASN A 26 -0.441 7.258 -8.648 1.00 0.00 C ATOM 405 C ASN A 26 0.330 8.106 -9.637 1.00 0.00 C ATOM 406 O ASN A 26 -0.218 8.527 -10.659 1.00 0.00 O ATOM 407 CB ASN A 26 -0.427 5.841 -9.178 1.00 0.00 C ATOM 408 CG ASN A 26 -0.858 4.786 -8.213 1.00 0.00 C ATOM 409 OD1 ASN A 26 -0.241 4.553 -7.171 1.00 0.00 O ATOM 410 ND2 ASN A 26 -1.938 4.136 -8.547 1.00 0.00 N ATOM 0 H ASN A 26 -2.525 7.095 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 26 0.036 7.329 -7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.074 5.793 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.583 5.608 -9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.302 3.404 -7.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.419 4.360 -9.418 1.00 0.00 H new ATOM 542 N THR A 35 5.883 0.631 -13.551 1.00 0.00 N ATOM 543 CA THR A 35 6.238 -0.342 -12.530 1.00 0.00 C ATOM 544 C THR A 35 6.833 0.321 -11.287 1.00 0.00 C ATOM 545 O THR A 35 7.371 -0.358 -10.415 1.00 0.00 O ATOM 546 CB THR A 35 7.219 -1.384 -13.090 1.00 0.00 C ATOM 547 OG1 THR A 35 8.402 -0.730 -13.570 1.00 0.00 O ATOM 548 CG2 THR A 35 6.555 -2.163 -14.216 1.00 0.00 C ATOM 0 HA THR A 35 5.316 -0.842 -12.232 1.00 0.00 H new ATOM 0 HB THR A 35 7.498 -2.078 -12.297 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.189 0.195 -13.813 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.254 -2.901 -14.610 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.669 -2.671 -13.834 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.265 -1.477 -15.012 1.00 0.00 H new ATOM 556 N GLN A 36 6.742 1.646 -11.206 1.00 0.00 N ATOM 557 CA GLN A 36 7.184 2.404 -10.039 1.00 0.00 C ATOM 558 C GLN A 36 6.213 3.561 -9.812 1.00 0.00 C ATOM 559 O GLN A 36 6.348 4.619 -10.436 1.00 0.00 O ATOM 560 CB GLN A 36 8.600 2.938 -10.210 1.00 0.00 C ATOM 561 CG GLN A 36 9.114 3.667 -8.981 1.00 0.00 C ATOM 562 CD GLN A 36 10.474 4.297 -9.204 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.620 5.102 -10.131 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.459 3.952 -8.383 1.00 0.00 N ATOM 0 H GLN A 36 6.358 2.227 -11.952 1.00 0.00 H new ATOM 0 HA GLN A 36 7.194 1.738 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.269 2.109 -10.440 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.626 3.615 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.401 4.441 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.174 2.968 -8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.287 3.283 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.388 4.356 -8.503 1.00 0.00 H new ATOM 573 N TRP A 37 5.259 3.363 -8.902 1.00 0.00 N ATOM 574 CA TRP A 37 4.220 4.353 -8.615 1.00 0.00 C ATOM 575 C TRP A 37 4.343 5.011 -7.250 1.00 0.00 C ATOM 576 O TRP A 37 4.781 4.406 -6.272 1.00 0.00 O ATOM 577 CB TRP A 37 2.839 3.709 -8.708 1.00 0.00 C ATOM 578 CG TRP A 37 2.436 3.329 -10.098 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.964 3.790 -11.266 1.00 0.00 C ATOM 580 CD2 TRP A 37 1.413 2.378 -10.471 1.00 0.00 C ATOM 581 NE1 TRP A 37 2.341 3.193 -12.330 1.00 0.00 N ATOM 582 CE2 TRP A 37 1.397 2.320 -11.863 1.00 0.00 C ATOM 583 CE3 TRP A 37 0.526 1.581 -9.744 1.00 0.00 C ATOM 584 CZ2 TRP A 37 0.534 1.485 -12.550 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -0.339 0.744 -10.432 1.00 0.00 C ATOM 586 CH2 TRP A 37 -0.332 0.703 -11.792 1.00 0.00 C ATOM 0 H TRP A 37 5.184 2.513 -8.343 1.00 0.00 H new ATOM 0 HA TRP A 37 4.353 5.132 -9.365 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.822 2.818 -8.080 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.100 4.400 -8.302 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.757 4.519 -11.342 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.548 3.371 -13.313 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.514 1.616 -8.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.533 1.442 -13.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.026 0.118 -9.882 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.020 0.043 -12.299 1.00 0.00 H new ATOM 597 N ILE A 38 3.964 6.284 -7.191 1.00 0.00 N ATOM 598 CA ILE A 38 4.018 7.018 -5.933 1.00 0.00 C ATOM 599 C ILE A 38 2.670 7.617 -5.531 1.00 0.00 C ATOM 600 O ILE A 38 1.967 8.211 -6.350 1.00 0.00 O ATOM 601 CB ILE A 38 5.094 8.125 -5.964 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.476 7.501 -6.188 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.081 8.920 -4.663 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.560 8.519 -6.448 1.00 0.00 C ATOM 0 H ILE A 38 3.621 6.822 -7.987 1.00 0.00 H new ATOM 0 HA ILE A 38 4.288 6.281 -5.177 1.00 0.00 H new ATOM 0 HB ILE A 38 4.872 8.806 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.746 6.910 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.423 6.814 -7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.846 9.696 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.103 9.382 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.285 8.252 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.511 8.008 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.313 9.094 -7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.640 9.191 -5.594 1.00 0.00 H new ATOM 616 N VAL A 39 2.304 7.402 -4.264 1.00 0.00 N ATOM 617 CA VAL A 39 1.062 7.910 -3.670 1.00 0.00 C ATOM 618 C VAL A 39 1.245 8.819 -2.469 1.00 0.00 C ATOM 619 O VAL A 39 1.930 8.484 -1.506 1.00 0.00 O ATOM 620 CB VAL A 39 0.128 6.757 -3.233 1.00 0.00 C ATOM 621 CG1 VAL A 39 -1.097 7.292 -2.501 1.00 0.00 C ATOM 622 CG2 VAL A 39 -0.339 6.020 -4.470 1.00 0.00 C ATOM 0 H VAL A 39 2.871 6.861 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 39 0.625 8.502 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 39 0.678 6.097 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.736 6.460 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.780 7.840 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.652 7.960 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.999 5.203 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.878 6.708 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.524 5.618 -5.001 1.00 0.00 H new ATOM 632 N ASP A 40 0.634 9.996 -2.548 1.00 0.00 N ATOM 633 CA ASP A 40 0.629 10.945 -1.441 1.00 0.00 C ATOM 634 C ASP A 40 -0.648 10.661 -0.645 1.00 0.00 C ATOM 635 O ASP A 40 -1.757 11.005 -1.062 1.00 0.00 O ATOM 636 CB ASP A 40 0.706 12.396 -1.919 1.00 0.00 C ATOM 637 CG ASP A 40 0.817 13.407 -0.779 1.00 0.00 C ATOM 638 OD1 ASP A 40 0.681 13.028 0.361 1.00 0.00 O ATOM 639 OD2 ASP A 40 1.050 14.557 -1.066 1.00 0.00 O ATOM 0 H ASP A 40 0.131 10.318 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 40 1.513 10.818 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.567 12.508 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.181 12.623 -2.511 1.00 0.00 H new ATOM 644 N MET A 41 -0.492 10.006 0.494 1.00 0.00 N ATOM 645 CA MET A 41 -1.656 9.629 1.282 1.00 0.00 C ATOM 646 C MET A 41 -1.831 10.456 2.542 1.00 0.00 C ATOM 647 O MET A 41 -0.860 10.820 3.189 1.00 0.00 O ATOM 648 CB MET A 41 -1.580 8.146 1.612 1.00 0.00 C ATOM 649 CG MET A 41 -2.737 7.609 2.437 1.00 0.00 C ATOM 650 SD MET A 41 -2.578 5.836 2.668 1.00 0.00 S ATOM 651 CE MET A 41 -2.982 5.371 0.987 1.00 0.00 C ATOM 0 H MET A 41 0.407 9.729 0.888 1.00 0.00 H new ATOM 0 HA MET A 41 -2.538 9.834 0.675 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.528 7.584 0.679 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.651 7.957 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.762 8.107 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.681 7.833 1.940 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.103 4.289 0.928 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.911 5.857 0.688 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.179 5.684 0.320 1.00 0.00 H new ATOM 661 N GLU A 42 -3.065 10.814 2.872 1.00 0.00 N ATOM 662 CA GLU A 42 -3.310 11.548 4.109 1.00 0.00 C ATOM 663 C GLU A 42 -4.009 10.670 5.141 1.00 0.00 C ATOM 664 O GLU A 42 -4.996 10.005 4.823 1.00 0.00 O ATOM 665 CB GLU A 42 -4.126 12.804 3.845 1.00 0.00 C ATOM 666 CG GLU A 42 -4.402 13.614 5.102 1.00 0.00 C ATOM 667 CD GLU A 42 -5.124 14.894 4.808 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.088 15.306 3.672 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.705 15.467 5.698 1.00 0.00 O ATOM 0 H GLU A 42 -3.896 10.614 2.315 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.342 11.844 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.596 13.429 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.074 12.524 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.995 13.016 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.459 13.838 5.601 1.00 0.00 H new ATOM 676 N GLY A 43 -3.491 10.653 6.370 1.00 0.00 N ATOM 677 CA GLY A 43 -4.094 9.836 7.418 1.00 0.00 C ATOM 678 C GLY A 43 -5.494 10.301 7.817 1.00 0.00 C ATOM 679 O GLY A 43 -5.791 11.496 7.891 1.00 0.00 O ATOM 0 H GLY A 43 -2.671 11.186 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.145 8.802 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.449 9.851 8.297 1.00 0.00 H new ATOM 683 N ALA A 44 -6.323 9.312 8.145 1.00 0.00 N ATOM 684 CA ALA A 44 -7.735 9.477 8.480 1.00 0.00 C ATOM 685 C ALA A 44 -7.992 10.271 9.768 1.00 0.00 C ATOM 686 O ALA A 44 -7.263 10.107 10.754 1.00 0.00 O ATOM 687 CB ALA A 44 -8.377 8.102 8.613 1.00 0.00 C ATOM 0 H ALA A 44 -6.019 8.339 8.186 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.175 10.057 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.432 8.216 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.284 7.564 7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.875 7.541 9.402 1.00 0.00 H new ATOM 693 N PRO A 45 -9.046 11.097 9.791 1.00 0.00 N ATOM 694 CA PRO A 45 -9.386 11.923 10.916 1.00 0.00 C ATOM 695 C PRO A 45 -9.877 11.119 12.091 1.00 0.00 C ATOM 696 O PRO A 45 -10.634 10.159 11.941 1.00 0.00 O ATOM 697 CB PRO A 45 -10.478 12.817 10.320 1.00 0.00 C ATOM 698 CG PRO A 45 -11.056 12.021 9.182 1.00 0.00 C ATOM 699 CD PRO A 45 -9.909 11.219 8.610 1.00 0.00 C ATOM 0 HA PRO A 45 -8.542 12.476 11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.240 13.056 11.061 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.066 13.763 9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.855 11.366 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.488 12.677 8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.231 10.249 8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.414 11.734 7.787 1.00 0.00 H new ATOM 707 N GLY A 46 -9.438 11.538 13.271 1.00 0.00 N ATOM 708 CA GLY A 46 -9.772 10.851 14.502 1.00 0.00 C ATOM 709 C GLY A 46 -8.743 9.773 14.836 1.00 0.00 C ATOM 710 O GLY A 46 -8.817 9.177 15.912 1.00 0.00 O ATOM 0 H GLY A 46 -8.845 12.358 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.825 11.571 15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.759 10.398 14.411 1.00 0.00 H new ATOM 714 N THR A 47 -7.789 9.508 13.936 1.00 0.00 N ATOM 715 CA THR A 47 -6.792 8.487 14.209 1.00 0.00 C ATOM 716 C THR A 47 -5.483 9.151 14.562 1.00 0.00 C ATOM 717 O THR A 47 -5.327 10.368 14.456 1.00 0.00 O ATOM 718 CB THR A 47 -6.501 7.579 13.004 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.787 8.328 12.012 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.816 7.097 12.414 1.00 0.00 C ATOM 0 H THR A 47 -7.693 9.978 13.036 1.00 0.00 H new ATOM 0 HA THR A 47 -7.198 7.882 15.019 1.00 0.00 H new ATOM 0 HB THR A 47 -5.904 6.724 13.322 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.424 8.736 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.616 6.452 11.558 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.370 6.538 13.168 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.406 7.955 12.092 1.00 0.00 H new ATOM 728 N LEU A 48 -4.514 8.319 14.916 1.00 0.00 N ATOM 729 CA LEU A 48 -3.175 8.763 15.272 1.00 0.00 C ATOM 730 C LEU A 48 -2.426 9.382 14.096 1.00 0.00 C ATOM 731 O LEU A 48 -1.401 10.034 14.300 1.00 0.00 O ATOM 732 CB LEU A 48 -2.356 7.574 15.784 1.00 0.00 C ATOM 733 CG LEU A 48 -2.822 6.953 17.103 1.00 0.00 C ATOM 734 CD1 LEU A 48 -1.989 5.710 17.384 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.679 7.979 18.216 1.00 0.00 C ATOM 0 H LEU A 48 -4.637 7.308 14.964 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.294 9.526 16.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.362 6.798 15.018 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.321 7.896 15.903 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.870 6.660 17.042 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.313 5.259 18.322 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.120 4.993 16.573 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.937 5.986 17.458 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.010 7.542 19.158 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.635 8.279 18.302 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.290 8.852 17.987 1.00 0.00 H new ATOM 747 N TYR A 49 -2.921 9.181 12.873 1.00 0.00 N ATOM 748 CA TYR A 49 -2.264 9.700 11.699 1.00 0.00 C ATOM 749 C TYR A 49 -3.040 10.839 11.045 1.00 0.00 C ATOM 750 O TYR A 49 -2.692 11.234 9.933 1.00 0.00 O ATOM 751 CB TYR A 49 -2.064 8.525 10.752 1.00 0.00 C ATOM 752 CG TYR A 49 -1.178 7.493 11.417 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.194 7.672 11.473 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.742 6.368 11.997 1.00 0.00 C ATOM 755 CE1 TYR A 49 0.998 6.741 12.096 1.00 0.00 C ATOM 756 CE2 TYR A 49 -0.941 5.434 12.627 1.00 0.00 C ATOM 757 CZ TYR A 49 0.437 5.624 12.675 1.00 0.00 C ATOM 758 OH TYR A 49 1.242 4.700 13.303 1.00 0.00 O ATOM 0 H TYR A 49 -3.777 8.660 12.683 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.306 10.143 11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.026 8.083 10.494 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.610 8.866 9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.638 8.548 11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.811 6.220 11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.067 6.888 12.130 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.383 4.559 13.081 1.00 0.00 H new ATOM 0 HH TYR A 49 2.167 4.811 12.999 1.00 0.00 H new ATOM 768 N GLU A 50 -4.061 11.375 11.725 1.00 0.00 N ATOM 769 CA GLU A 50 -4.875 12.459 11.176 1.00 0.00 C ATOM 770 C GLU A 50 -4.134 13.643 10.589 1.00 0.00 C ATOM 771 O GLU A 50 -3.544 14.447 11.313 1.00 0.00 O ATOM 772 CB GLU A 50 -5.817 13.009 12.245 1.00 0.00 C ATOM 773 CG GLU A 50 -6.625 14.203 11.746 1.00 0.00 C ATOM 774 CD GLU A 50 -7.668 14.693 12.712 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.977 13.991 13.644 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.167 15.775 12.509 1.00 0.00 O ATOM 0 H GLU A 50 -4.341 11.073 12.658 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.392 11.976 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.498 12.221 12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.237 13.305 13.119 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.941 15.022 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.113 13.931 10.810 1.00 0.00 H new ATOM 783 N GLY A 51 -4.176 13.745 9.262 1.00 0.00 N ATOM 784 CA GLY A 51 -3.552 14.858 8.559 1.00 0.00 C ATOM 785 C GLY A 51 -2.099 14.624 8.158 1.00 0.00 C ATOM 786 O GLY A 51 -1.502 15.468 7.487 1.00 0.00 O ATOM 0 H GLY A 51 -4.637 13.068 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.132 15.074 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.602 15.744 9.192 1.00 0.00 H new ATOM 790 N GLU A 52 -1.518 13.501 8.566 1.00 0.00 N ATOM 791 CA GLU A 52 -0.135 13.227 8.218 1.00 0.00 C ATOM 792 C GLU A 52 -0.058 12.782 6.778 1.00 0.00 C ATOM 793 O GLU A 52 -0.861 11.969 6.325 1.00 0.00 O ATOM 794 CB GLU A 52 0.484 12.170 9.136 1.00 0.00 C ATOM 795 CG GLU A 52 1.958 11.905 8.845 1.00 0.00 C ATOM 796 CD GLU A 52 2.608 10.957 9.815 1.00 0.00 C ATOM 797 OE1 GLU A 52 1.966 10.582 10.764 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.748 10.609 9.613 1.00 0.00 O ATOM 0 H GLU A 52 -1.974 12.781 9.126 1.00 0.00 H new ATOM 0 HA GLU A 52 0.438 14.145 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.378 12.492 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.073 11.239 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.053 11.500 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.498 12.852 8.860 1.00 0.00 H new ATOM 805 N LYS A 53 0.890 13.344 6.042 1.00 0.00 N ATOM 806 CA LYS A 53 1.041 12.954 4.653 1.00 0.00 C ATOM 807 C LYS A 53 2.042 11.813 4.564 1.00 0.00 C ATOM 808 O LYS A 53 3.030 11.792 5.301 1.00 0.00 O ATOM 809 CB LYS A 53 1.496 14.134 3.801 1.00 0.00 C ATOM 810 CG LYS A 53 0.577 15.352 3.796 1.00 0.00 C ATOM 811 CD LYS A 53 -0.781 15.089 3.152 1.00 0.00 C ATOM 812 CE LYS A 53 -1.537 16.409 3.023 1.00 0.00 C ATOM 813 NZ LYS A 53 -2.864 16.286 2.353 1.00 0.00 N ATOM 0 H LYS A 53 1.547 14.051 6.373 1.00 0.00 H new ATOM 0 HA LYS A 53 0.076 12.623 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.480 14.448 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.615 13.790 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.425 15.686 4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.070 16.167 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.650 14.633 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.354 14.385 3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.681 16.832 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.923 17.114 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.240 17.234 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.756 15.759 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.523 15.779 2.978 1.00 0.00 H new ATOM 827 N PHE A 54 1.797 10.874 3.660 1.00 0.00 N ATOM 828 CA PHE A 54 2.681 9.736 3.511 1.00 0.00 C ATOM 829 C PHE A 54 3.172 9.591 2.088 1.00 0.00 C ATOM 830 O PHE A 54 2.415 9.780 1.142 1.00 0.00 O ATOM 831 CB PHE A 54 1.903 8.473 3.851 1.00 0.00 C ATOM 832 CG PHE A 54 1.394 8.467 5.262 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.242 8.155 6.302 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.082 8.799 5.559 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.809 8.161 7.606 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.361 8.812 6.862 1.00 0.00 C ATOM 837 CZ PHE A 54 0.506 8.491 7.878 1.00 0.00 C ATOM 0 H PHE A 54 0.999 10.881 3.025 1.00 0.00 H new ATOM 0 HA PHE A 54 3.536 9.886 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.061 8.374 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.543 7.605 3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.269 7.900 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.600 9.050 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.487 7.909 8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.385 9.073 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.158 8.499 8.900 1.00 0.00 H new ATOM 847 N GLN A 55 4.437 9.221 1.937 1.00 0.00 N ATOM 848 CA GLN A 55 5.021 9.007 0.619 1.00 0.00 C ATOM 849 C GLN A 55 5.129 7.517 0.351 1.00 0.00 C ATOM 850 O GLN A 55 6.076 6.859 0.779 1.00 0.00 O ATOM 851 CB GLN A 55 6.383 9.683 0.514 1.00 0.00 C ATOM 852 CG GLN A 55 6.326 11.191 0.677 1.00 0.00 C ATOM 853 CD GLN A 55 5.554 11.862 -0.446 1.00 0.00 C ATOM 854 OE1 GLN A 55 5.860 11.673 -1.627 1.00 0.00 O ATOM 855 NE2 GLN A 55 4.548 12.650 -0.084 1.00 0.00 N ATOM 0 H GLN A 55 5.080 9.062 2.713 1.00 0.00 H new ATOM 0 HA GLN A 55 4.375 9.455 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.045 9.268 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.823 9.447 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.859 11.434 1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.340 11.590 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.330 12.778 0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.993 13.128 -0.794 1.00 0.00 H new ATOM 864 N LEU A 56 4.151 6.974 -0.360 1.00 0.00 N ATOM 865 CA LEU A 56 4.142 5.551 -0.639 1.00 0.00 C ATOM 866 C LEU A 56 4.783 5.212 -1.971 1.00 0.00 C ATOM 867 O LEU A 56 4.559 5.887 -2.971 1.00 0.00 O ATOM 868 CB LEU A 56 2.706 5.071 -0.643 1.00 0.00 C ATOM 869 CG LEU A 56 1.937 5.258 0.655 1.00 0.00 C ATOM 870 CD1 LEU A 56 0.489 4.869 0.445 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.582 4.378 1.698 1.00 0.00 C ATOM 0 H LEU A 56 3.363 7.493 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 56 4.727 5.055 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.172 5.593 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.699 4.011 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 56 1.962 6.298 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.062 5.003 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.052 5.499 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.434 3.825 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.053 4.488 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.536 3.338 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.624 4.672 1.828 1.00 0.00 H new ATOM 883 N LEU A 57 5.539 4.125 -1.983 1.00 0.00 N ATOM 884 CA LEU A 57 6.237 3.635 -3.159 1.00 0.00 C ATOM 885 C LEU A 57 5.805 2.218 -3.504 1.00 0.00 C ATOM 886 O LEU A 57 5.808 1.325 -2.652 1.00 0.00 O ATOM 887 CB LEU A 57 7.743 3.693 -2.915 1.00 0.00 C ATOM 888 CG LEU A 57 8.628 3.148 -4.035 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.456 4.013 -5.276 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.071 3.162 -3.557 1.00 0.00 C ATOM 0 H LEU A 57 5.687 3.547 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 57 5.983 4.271 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.021 4.731 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.964 3.139 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 57 8.347 2.126 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.086 3.628 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.413 3.993 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.746 5.039 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.719 2.776 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.364 4.183 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.166 2.537 -2.669 1.00 0.00 H new ATOM 902 N PHE A 58 5.386 2.030 -4.759 1.00 0.00 N ATOM 903 CA PHE A 58 4.929 0.732 -5.232 1.00 0.00 C ATOM 904 C PHE A 58 5.724 0.201 -6.412 1.00 0.00 C ATOM 905 O PHE A 58 5.700 0.777 -7.500 1.00 0.00 O ATOM 906 CB PHE A 58 3.476 0.847 -5.657 1.00 0.00 C ATOM 907 CG PHE A 58 2.666 1.272 -4.487 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.266 0.345 -3.545 1.00 0.00 C ATOM 909 CD2 PHE A 58 2.348 2.610 -4.319 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.552 0.750 -2.441 1.00 0.00 C ATOM 911 CE2 PHE A 58 1.630 3.008 -3.217 1.00 0.00 C ATOM 912 CZ PHE A 58 1.238 2.077 -2.280 1.00 0.00 C ATOM 0 H PHE A 58 5.356 2.767 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 58 5.064 0.034 -4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.376 1.569 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.117 -0.110 -6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.514 -0.698 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.663 3.338 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.239 0.026 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.373 4.049 -3.086 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.679 2.394 -1.412 1.00 0.00 H new ATOM 922 N LYS A 59 6.443 -0.899 -6.202 1.00 0.00 N ATOM 923 CA LYS A 59 7.196 -1.442 -7.326 1.00 0.00 C ATOM 924 C LYS A 59 6.534 -2.709 -7.842 1.00 0.00 C ATOM 925 O LYS A 59 6.121 -3.583 -7.078 1.00 0.00 O ATOM 926 CB LYS A 59 8.645 -1.734 -6.956 1.00 0.00 C ATOM 927 CG LYS A 59 9.465 -0.516 -6.554 1.00 0.00 C ATOM 928 CD LYS A 59 10.895 -0.930 -6.248 1.00 0.00 C ATOM 929 CE LYS A 59 11.761 0.248 -5.829 1.00 0.00 C ATOM 930 NZ LYS A 59 13.161 -0.178 -5.549 1.00 0.00 N ATOM 0 H LYS A 59 6.520 -1.406 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 59 7.197 -0.684 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.657 -2.449 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.131 -2.216 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.455 0.221 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.020 -0.040 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.892 -1.677 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.330 -1.403 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.759 1.001 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.337 0.715 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.725 0.648 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.164 -0.879 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.573 -0.602 -6.405 1.00 0.00 H new ATOM 944 N PHE A 60 6.476 -2.840 -9.162 1.00 0.00 N ATOM 945 CA PHE A 60 5.824 -4.006 -9.736 1.00 0.00 C ATOM 946 C PHE A 60 6.827 -4.850 -10.506 1.00 0.00 C ATOM 947 O PHE A 60 7.649 -4.333 -11.263 1.00 0.00 O ATOM 948 CB PHE A 60 4.691 -3.520 -10.634 1.00 0.00 C ATOM 949 CG PHE A 60 3.696 -2.744 -9.820 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.677 -3.373 -9.137 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.801 -1.368 -9.710 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.776 -2.661 -8.372 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.914 -0.649 -8.945 1.00 0.00 C ATOM 954 CZ PHE A 60 1.897 -1.294 -8.277 1.00 0.00 C ATOM 0 H PHE A 60 6.859 -2.176 -9.835 1.00 0.00 H new ATOM 0 HA PHE A 60 5.414 -4.640 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.090 -2.894 -11.432 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.202 -4.370 -11.110 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.582 -4.447 -9.202 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.592 -0.852 -10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.981 -3.174 -7.851 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.015 0.424 -8.868 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.197 -0.728 -7.680 1.00 0.00 H new ATOM 964 N SER A 61 6.752 -6.159 -10.294 1.00 0.00 N ATOM 965 CA SER A 61 7.645 -7.113 -10.936 1.00 0.00 C ATOM 966 C SER A 61 7.113 -7.597 -12.270 1.00 0.00 C ATOM 967 O SER A 61 5.969 -7.325 -12.633 1.00 0.00 O ATOM 968 CB SER A 61 7.875 -8.308 -10.031 1.00 0.00 C ATOM 969 OG SER A 61 6.716 -9.082 -9.881 1.00 0.00 O ATOM 0 H SER A 61 6.068 -6.588 -9.671 1.00 0.00 H new ATOM 0 HA SER A 61 8.584 -6.591 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.673 -8.926 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.210 -7.963 -9.053 1.00 0.00 H new ATOM 0 HG SER A 61 6.905 -9.843 -9.293 1.00 0.00 H new ATOM 975 N SER A 62 7.962 -8.314 -13.005 1.00 0.00 N ATOM 976 CA SER A 62 7.564 -8.907 -14.276 1.00 0.00 C ATOM 977 C SER A 62 6.596 -10.069 -14.054 1.00 0.00 C ATOM 978 O SER A 62 5.855 -10.447 -14.960 1.00 0.00 O ATOM 979 CB SER A 62 8.781 -9.398 -15.034 1.00 0.00 C ATOM 980 OG SER A 62 9.378 -10.482 -14.374 1.00 0.00 O ATOM 0 H SER A 62 8.930 -8.497 -12.740 1.00 0.00 H new ATOM 0 HA SER A 62 7.061 -8.138 -14.863 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.491 -9.696 -16.042 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.502 -8.587 -15.136 1.00 0.00 H new ATOM 0 HG SER A 62 10.160 -10.784 -14.882 1.00 0.00 H new ATOM 986 N ARG A 63 6.637 -10.653 -12.856 1.00 0.00 N ATOM 987 CA ARG A 63 5.723 -11.711 -12.462 1.00 0.00 C ATOM 988 C ARG A 63 4.384 -11.167 -11.994 1.00 0.00 C ATOM 989 O ARG A 63 3.367 -11.819 -12.232 1.00 0.00 O ATOM 990 CB ARG A 63 6.319 -12.551 -11.354 1.00 0.00 C ATOM 991 CG ARG A 63 7.486 -13.437 -11.745 1.00 0.00 C ATOM 992 CD ARG A 63 7.978 -14.121 -10.531 1.00 0.00 C ATOM 993 NE ARG A 63 9.071 -15.045 -10.748 1.00 0.00 N ATOM 994 CZ ARG A 63 9.698 -15.667 -9.732 1.00 0.00 C ATOM 995 NH1 ARG A 63 9.318 -15.427 -8.493 1.00 0.00 N ATOM 996 NH2 ARG A 63 10.688 -16.508 -9.979 1.00 0.00 N ATOM 0 H ARG A 63 7.310 -10.400 -12.133 1.00 0.00 H new ATOM 0 HA ARG A 63 5.560 -12.323 -13.349 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.646 -11.885 -10.556 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.532 -13.182 -10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.175 -14.167 -12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.281 -12.841 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.297 -13.367 -9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.149 -14.663 -10.077 1.00 0.00 H new ATOM 0 HE ARG A 63 9.376 -15.231 -11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.555 -14.775 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.787 -15.893 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.978 -16.686 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.162 -16.978 -9.208 1.00 0.00 H new ATOM 1010 N TYR A 64 4.394 -9.988 -11.361 1.00 0.00 N ATOM 1011 CA TYR A 64 3.188 -9.328 -10.872 1.00 0.00 C ATOM 1012 C TYR A 64 2.120 -9.291 -11.958 1.00 0.00 C ATOM 1013 O TYR A 64 2.413 -8.879 -13.081 1.00 0.00 O ATOM 1014 CB TYR A 64 3.499 -7.883 -10.456 1.00 0.00 C ATOM 1015 CG TYR A 64 2.272 -7.149 -9.982 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.487 -6.497 -10.923 1.00 0.00 C ATOM 1017 CD2 TYR A 64 1.899 -7.157 -8.649 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.328 -5.861 -10.536 1.00 0.00 C ATOM 1019 CE2 TYR A 64 0.742 -6.511 -8.271 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.047 -5.869 -9.212 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.208 -5.250 -8.811 1.00 0.00 O ATOM 0 H TYR A 64 5.249 -9.464 -11.174 1.00 0.00 H new ATOM 0 HA TYR A 64 2.826 -9.894 -10.014 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.246 -7.888 -9.662 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.935 -7.350 -11.301 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.786 -6.488 -11.961 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.507 -7.663 -7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.284 -5.358 -11.269 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.447 -6.505 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.493 -4.613 -9.499 1.00 0.00 H new ATOM 1031 N PRO A 65 0.861 -9.627 -11.653 1.00 0.00 N ATOM 1032 CA PRO A 65 0.227 -10.004 -10.393 1.00 0.00 C ATOM 1033 C PRO A 65 0.512 -11.357 -9.740 1.00 0.00 C ATOM 1034 O PRO A 65 -0.084 -11.644 -8.705 1.00 0.00 O ATOM 1035 CB PRO A 65 -1.243 -9.923 -10.812 1.00 0.00 C ATOM 1036 CG PRO A 65 -1.260 -10.233 -12.280 1.00 0.00 C ATOM 1037 CD PRO A 65 0.003 -9.625 -12.835 1.00 0.00 C ATOM 0 HA PRO A 65 0.607 -9.362 -9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.850 -10.636 -10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.653 -8.932 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.287 -11.309 -12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.143 -9.811 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.422 -10.217 -13.649 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.160 -8.620 -13.224 1.00 0.00 H new ATOM 1045 N PHE A 66 1.355 -12.205 -10.323 1.00 0.00 N ATOM 1046 CA PHE A 66 1.671 -13.496 -9.711 1.00 0.00 C ATOM 1047 C PHE A 66 2.300 -13.266 -8.338 1.00 0.00 C ATOM 1048 O PHE A 66 1.871 -13.852 -7.342 1.00 0.00 O ATOM 1049 CB PHE A 66 2.592 -14.318 -10.614 1.00 0.00 C ATOM 1050 CG PHE A 66 3.042 -15.634 -10.056 1.00 0.00 C ATOM 1051 CD1 PHE A 66 2.202 -16.738 -10.056 1.00 0.00 C ATOM 1052 CD2 PHE A 66 4.317 -15.768 -9.534 1.00 0.00 C ATOM 1053 CE1 PHE A 66 2.632 -17.948 -9.544 1.00 0.00 C ATOM 1054 CE2 PHE A 66 4.751 -16.973 -9.022 1.00 0.00 C ATOM 1055 CZ PHE A 66 3.906 -18.066 -9.027 1.00 0.00 C ATOM 0 H PHE A 66 1.828 -12.026 -11.209 1.00 0.00 H new ATOM 0 HA PHE A 66 0.751 -14.067 -9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.077 -14.501 -11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.474 -13.720 -10.843 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.204 -16.651 -10.459 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.982 -14.917 -9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.970 -18.802 -9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.749 -17.062 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.242 -19.011 -8.627 1.00 0.00 H new ATOM 1065 N ASP A 67 3.343 -12.443 -8.303 1.00 0.00 N ATOM 1066 CA ASP A 67 3.973 -12.045 -7.052 1.00 0.00 C ATOM 1067 C ASP A 67 3.384 -10.725 -6.572 1.00 0.00 C ATOM 1068 O ASP A 67 2.834 -9.963 -7.365 1.00 0.00 O ATOM 1069 CB ASP A 67 5.496 -11.934 -7.172 1.00 0.00 C ATOM 1070 CG ASP A 67 6.198 -13.284 -7.280 1.00 0.00 C ATOM 1071 OD1 ASP A 67 5.602 -14.271 -6.929 1.00 0.00 O ATOM 1072 OD2 ASP A 67 7.337 -13.313 -7.678 1.00 0.00 O ATOM 0 H ASP A 67 3.772 -12.037 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 67 3.768 -12.827 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.741 -11.335 -8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.883 -11.401 -6.304 1.00 0.00 H new ATOM 1077 N SER A 68 3.489 -10.483 -5.267 1.00 0.00 N ATOM 1078 CA SER A 68 2.996 -9.262 -4.641 1.00 0.00 C ATOM 1079 C SER A 68 3.915 -8.077 -4.959 1.00 0.00 C ATOM 1080 O SER A 68 5.096 -8.289 -5.239 1.00 0.00 O ATOM 1081 CB SER A 68 2.912 -9.506 -3.143 1.00 0.00 C ATOM 1082 OG SER A 68 4.186 -9.684 -2.583 1.00 0.00 O ATOM 0 H SER A 68 3.922 -11.134 -4.612 1.00 0.00 H new ATOM 0 HA SER A 68 2.010 -9.011 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.416 -8.663 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.301 -10.388 -2.950 1.00 0.00 H new ATOM 0 HG SER A 68 4.119 -10.260 -1.793 1.00 0.00 H new ATOM 1088 N PRO A 69 3.418 -6.835 -4.920 1.00 0.00 N ATOM 1089 CA PRO A 69 4.175 -5.629 -5.178 1.00 0.00 C ATOM 1090 C PRO A 69 5.050 -5.216 -4.003 1.00 0.00 C ATOM 1091 O PRO A 69 4.779 -5.593 -2.863 1.00 0.00 O ATOM 1092 CB PRO A 69 3.044 -4.630 -5.445 1.00 0.00 C ATOM 1093 CG PRO A 69 1.892 -5.136 -4.620 1.00 0.00 C ATOM 1094 CD PRO A 69 1.988 -6.647 -4.665 1.00 0.00 C ATOM 0 HA PRO A 69 4.894 -5.723 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.329 -3.620 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.788 -4.594 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.954 -4.770 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.940 -4.792 -5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.673 -7.107 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.370 -7.075 -5.454 1.00 0.00 H new ATOM 1102 N GLN A 70 6.099 -4.443 -4.270 1.00 0.00 N ATOM 1103 CA GLN A 70 6.929 -3.974 -3.169 1.00 0.00 C ATOM 1104 C GLN A 70 6.237 -2.755 -2.610 1.00 0.00 C ATOM 1105 O GLN A 70 6.049 -1.774 -3.326 1.00 0.00 O ATOM 1106 CB GLN A 70 8.351 -3.610 -3.577 1.00 0.00 C ATOM 1107 CG GLN A 70 9.197 -3.120 -2.413 1.00 0.00 C ATOM 1108 CD GLN A 70 9.473 -4.212 -1.396 1.00 0.00 C ATOM 1109 OE1 GLN A 70 10.029 -5.261 -1.734 1.00 0.00 O ATOM 1110 NE2 GLN A 70 9.086 -3.978 -0.147 1.00 0.00 N ATOM 0 H GLN A 70 6.386 -4.139 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 70 7.035 -4.780 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.829 -4.482 -4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.316 -2.837 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.143 -2.734 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.688 -2.291 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.630 -3.097 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.245 -4.680 0.576 1.00 0.00 H new ATOM 1119 N VAL A 71 5.856 -2.820 -1.343 1.00 0.00 N ATOM 1120 CA VAL A 71 5.152 -1.717 -0.707 1.00 0.00 C ATOM 1121 C VAL A 71 5.950 -1.085 0.417 1.00 0.00 C ATOM 1122 O VAL A 71 6.299 -1.762 1.390 1.00 0.00 O ATOM 1123 CB VAL A 71 3.823 -2.219 -0.147 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.092 -1.094 0.546 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.994 -2.804 -1.277 1.00 0.00 C ATOM 0 H VAL A 71 6.022 -3.623 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 71 4.993 -0.955 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 71 4.004 -3.000 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.146 -1.464 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.703 -0.713 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.899 -0.292 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.044 -3.164 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.808 -2.035 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.535 -3.633 -1.734 1.00 0.00 H new ATOM 1135 N MET A 72 6.235 0.205 0.269 1.00 0.00 N ATOM 1136 CA MET A 72 7.004 0.875 1.299 1.00 0.00 C ATOM 1137 C MET A 72 6.854 2.387 1.360 1.00 0.00 C ATOM 1138 O MET A 72 6.347 3.028 0.443 1.00 0.00 O ATOM 1139 CB MET A 72 8.474 0.535 1.080 1.00 0.00 C ATOM 1140 CG MET A 72 9.041 1.054 -0.230 1.00 0.00 C ATOM 1141 SD MET A 72 10.771 0.604 -0.445 1.00 0.00 S ATOM 1142 CE MET A 72 11.523 1.675 0.776 1.00 0.00 C ATOM 0 H MET A 72 5.956 0.784 -0.523 1.00 0.00 H new ATOM 0 HA MET A 72 6.613 0.514 2.250 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.058 0.945 1.904 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.594 -0.548 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.457 0.656 -1.060 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.942 2.139 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.605 1.672 0.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.146 2.690 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.277 1.317 1.775 1.00 0.00 H new ATOM 1152 N PHE A 73 7.275 2.960 2.478 1.00 0.00 N ATOM 1153 CA PHE A 73 7.304 4.404 2.612 1.00 0.00 C ATOM 1154 C PHE A 73 8.650 4.829 2.049 1.00 0.00 C ATOM 1155 O PHE A 73 9.615 4.069 2.125 1.00 0.00 O ATOM 1156 CB PHE A 73 7.199 4.921 4.047 1.00 0.00 C ATOM 1157 CG PHE A 73 5.874 4.758 4.733 1.00 0.00 C ATOM 1158 CD1 PHE A 73 4.744 5.423 4.285 1.00 0.00 C ATOM 1159 CD2 PHE A 73 5.752 3.930 5.834 1.00 0.00 C ATOM 1160 CE1 PHE A 73 3.531 5.256 4.927 1.00 0.00 C ATOM 1161 CE2 PHE A 73 4.535 3.780 6.475 1.00 0.00 C ATOM 1162 CZ PHE A 73 3.419 4.439 6.025 1.00 0.00 C ATOM 0 H PHE A 73 7.599 2.449 3.299 1.00 0.00 H new ATOM 0 HA PHE A 73 6.437 4.815 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.956 4.414 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.452 5.981 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.811 6.077 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.616 3.394 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.659 5.776 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.463 3.137 7.340 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.470 4.317 6.525 1.00 0.00 H new ATOM 1172 N THR A 74 8.728 6.027 1.487 1.00 0.00 N ATOM 1173 CA THR A 74 9.996 6.477 0.928 1.00 0.00 C ATOM 1174 C THR A 74 10.266 7.945 1.218 1.00 0.00 C ATOM 1175 O THR A 74 9.352 8.761 1.321 1.00 0.00 O ATOM 1176 CB THR A 74 10.021 6.241 -0.598 1.00 0.00 C ATOM 1177 OG1 THR A 74 11.308 6.602 -1.121 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.944 7.065 -1.294 1.00 0.00 C ATOM 0 H THR A 74 7.955 6.688 1.406 1.00 0.00 H new ATOM 0 HA THR A 74 10.781 5.893 1.408 1.00 0.00 H new ATOM 0 HB THR A 74 9.827 5.185 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.322 6.450 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.982 6.881 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.964 6.780 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.115 8.124 -1.101 1.00 0.00 H new ATOM 1186 N GLY A 75 11.548 8.269 1.345 1.00 0.00 N ATOM 1187 CA GLY A 75 11.976 9.627 1.657 1.00 0.00 C ATOM 1188 C GLY A 75 12.922 9.638 2.854 1.00 0.00 C ATOM 1189 O GLY A 75 13.256 8.588 3.405 1.00 0.00 O ATOM 0 H GLY A 75 12.314 7.604 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.474 10.064 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.105 10.247 1.871 1.00 0.00 H new ATOM 1193 N GLU A 76 13.349 10.838 3.243 1.00 0.00 N ATOM 1194 CA GLU A 76 14.273 11.064 4.356 1.00 0.00 C ATOM 1195 C GLU A 76 13.728 10.803 5.765 1.00 0.00 C ATOM 1196 O GLU A 76 14.497 10.798 6.727 1.00 0.00 O ATOM 1197 CB GLU A 76 14.770 12.511 4.304 1.00 0.00 C ATOM 1198 CG GLU A 76 13.703 13.559 4.597 1.00 0.00 C ATOM 1199 CD GLU A 76 12.894 13.937 3.387 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.901 13.195 2.434 1.00 0.00 O ATOM 1201 OE2 GLU A 76 12.268 14.970 3.416 1.00 0.00 O ATOM 0 H GLU A 76 13.056 11.700 2.784 1.00 0.00 H new ATOM 0 HA GLU A 76 15.061 10.325 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.582 12.628 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.187 12.703 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.034 13.180 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.181 14.452 4.999 1.00 0.00 H new ATOM 1208 N ASN A 77 12.422 10.597 5.900 1.00 0.00 N ATOM 1209 CA ASN A 77 11.819 10.367 7.204 1.00 0.00 C ATOM 1210 C ASN A 77 10.677 9.370 7.093 1.00 0.00 C ATOM 1211 O ASN A 77 9.597 9.710 6.612 1.00 0.00 O ATOM 1212 CB ASN A 77 11.349 11.682 7.799 1.00 0.00 C ATOM 1213 CG ASN A 77 10.819 11.552 9.202 1.00 0.00 C ATOM 1214 OD1 ASN A 77 10.565 10.446 9.691 1.00 0.00 O ATOM 1215 ND2 ASN A 77 10.646 12.669 9.861 1.00 0.00 N ATOM 0 H ASN A 77 11.763 10.585 5.122 1.00 0.00 H new ATOM 0 HA ASN A 77 12.567 9.941 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.178 12.389 7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.570 12.102 7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.289 12.648 10.816 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.868 13.561 9.420 1.00 0.00 H new ATOM 1222 N ILE A 78 10.932 8.142 7.541 1.00 0.00 N ATOM 1223 CA ILE A 78 9.947 7.069 7.493 1.00 0.00 C ATOM 1224 C ILE A 78 8.968 7.119 8.674 1.00 0.00 C ATOM 1225 O ILE A 78 9.414 7.150 9.821 1.00 0.00 O ATOM 1226 CB ILE A 78 10.636 5.694 7.480 1.00 0.00 C ATOM 1227 CG1 ILE A 78 11.568 5.617 6.267 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.600 4.577 7.482 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.859 5.801 4.945 1.00 0.00 C ATOM 0 H ILE A 78 11.826 7.866 7.946 1.00 0.00 H new ATOM 0 HA ILE A 78 9.383 7.214 6.572 1.00 0.00 H new ATOM 0 HB ILE A 78 11.235 5.567 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.341 6.380 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.072 4.651 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.106 3.612 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.983 4.655 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.969 4.664 6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.582 5.734 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.105 5.023 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.378 6.779 4.923 1.00 0.00 H new ATOM 1241 N PRO A 79 7.652 7.146 8.419 1.00 0.00 N ATOM 1242 CA PRO A 79 6.595 7.149 9.415 1.00 0.00 C ATOM 1243 C PRO A 79 6.628 5.979 10.392 1.00 0.00 C ATOM 1244 O PRO A 79 6.953 4.848 10.031 1.00 0.00 O ATOM 1245 CB PRO A 79 5.354 7.093 8.519 1.00 0.00 C ATOM 1246 CG PRO A 79 5.789 7.726 7.230 1.00 0.00 C ATOM 1247 CD PRO A 79 7.221 7.334 7.032 1.00 0.00 C ATOM 0 HA PRO A 79 6.660 8.006 10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.023 6.066 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.519 7.634 8.964 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.173 7.381 6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.685 8.810 7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.322 6.423 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.794 8.109 6.523 1.00 0.00 H new ATOM 1255 N VAL A 80 6.250 6.272 11.632 1.00 0.00 N ATOM 1256 CA VAL A 80 6.246 5.285 12.704 1.00 0.00 C ATOM 1257 C VAL A 80 4.904 4.582 12.857 1.00 0.00 C ATOM 1258 O VAL A 80 3.862 5.225 13.011 1.00 0.00 O ATOM 1259 CB VAL A 80 6.623 5.949 14.039 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.549 4.927 15.165 1.00 0.00 C ATOM 1261 CG2 VAL A 80 8.026 6.525 13.925 1.00 0.00 C ATOM 0 H VAL A 80 5.938 7.199 11.921 1.00 0.00 H new ATOM 0 HA VAL A 80 6.984 4.530 12.433 1.00 0.00 H new ATOM 0 HB VAL A 80 5.924 6.754 14.265 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.817 5.404 16.108 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.535 4.534 15.233 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.242 4.111 14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.303 6.998 14.867 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.731 5.724 13.700 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.051 7.266 13.126 1.00 0.00 H new ATOM 1271 N HIS A 81 4.965 3.257 12.818 1.00 0.00 N ATOM 1272 CA HIS A 81 3.809 2.385 12.946 1.00 0.00 C ATOM 1273 C HIS A 81 4.278 0.991 13.380 1.00 0.00 C ATOM 1274 O HIS A 81 5.284 0.519 12.856 1.00 0.00 O ATOM 1275 CB HIS A 81 3.074 2.299 11.608 1.00 0.00 C ATOM 1276 CG HIS A 81 1.787 1.541 11.631 1.00 0.00 C ATOM 1277 ND1 HIS A 81 1.728 0.164 11.692 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.508 1.974 11.584 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.461 -0.208 11.683 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -0.295 0.868 11.615 1.00 0.00 N ATOM 0 H HIS A 81 5.841 2.749 12.694 1.00 0.00 H new ATOM 0 HA HIS A 81 3.126 2.787 13.694 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.873 3.311 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.737 1.834 10.878 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.181 3.002 11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.104 -1.226 11.725 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.315 0.875 11.590 1.00 0.00 H new ATOM 1288 N PRO A 82 3.591 0.302 14.299 1.00 0.00 N ATOM 1289 CA PRO A 82 3.940 -1.031 14.771 1.00 0.00 C ATOM 1290 C PRO A 82 4.181 -2.116 13.725 1.00 0.00 C ATOM 1291 O PRO A 82 4.967 -3.032 13.968 1.00 0.00 O ATOM 1292 CB PRO A 82 2.707 -1.344 15.625 1.00 0.00 C ATOM 1293 CG PRO A 82 2.258 -0.005 16.135 1.00 0.00 C ATOM 1294 CD PRO A 82 2.508 0.979 15.022 1.00 0.00 C ATOM 0 HA PRO A 82 4.911 -1.031 15.266 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.927 -1.827 15.036 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.952 -2.020 16.444 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.202 -0.026 16.405 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.811 0.274 17.032 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.627 1.132 14.399 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.808 1.958 15.395 1.00 0.00 H new ATOM 1302 N HIS A 83 3.520 -2.031 12.575 1.00 0.00 N ATOM 1303 CA HIS A 83 3.682 -3.046 11.545 1.00 0.00 C ATOM 1304 C HIS A 83 4.498 -2.545 10.348 1.00 0.00 C ATOM 1305 O HIS A 83 4.420 -3.122 9.261 1.00 0.00 O ATOM 1306 CB HIS A 83 2.290 -3.525 11.131 1.00 0.00 C ATOM 1307 CG HIS A 83 1.582 -4.163 12.296 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.935 -5.401 12.789 1.00 0.00 N ATOM 1309 CD2 HIS A 83 0.560 -3.732 13.076 1.00 0.00 C ATOM 1310 CE1 HIS A 83 1.156 -5.703 13.816 1.00 0.00 C ATOM 1311 NE2 HIS A 83 0.315 -4.705 14.010 1.00 0.00 N ATOM 0 H HIS A 83 2.875 -1.278 12.336 1.00 0.00 H new ATOM 0 HA HIS A 83 4.256 -3.880 11.948 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.705 -2.683 10.760 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.374 -4.241 10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.035 -2.793 12.979 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.201 -6.612 14.397 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.400 -4.664 14.736 1.00 0.00 H new ATOM 1319 N VAL A 84 5.256 -1.468 10.562 1.00 0.00 N ATOM 1320 CA VAL A 84 6.125 -0.849 9.569 1.00 0.00 C ATOM 1321 C VAL A 84 7.565 -0.754 10.069 1.00 0.00 C ATOM 1322 O VAL A 84 7.824 -0.415 11.224 1.00 0.00 O ATOM 1323 CB VAL A 84 5.609 0.546 9.192 1.00 0.00 C ATOM 1324 CG1 VAL A 84 6.572 1.215 8.226 1.00 0.00 C ATOM 1325 CG2 VAL A 84 4.230 0.409 8.556 1.00 0.00 C ATOM 0 H VAL A 84 5.280 -0.990 11.462 1.00 0.00 H new ATOM 0 HA VAL A 84 6.113 -1.484 8.683 1.00 0.00 H new ATOM 0 HB VAL A 84 5.536 1.165 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.197 2.204 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.551 1.311 8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.660 0.610 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.855 1.396 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.302 -0.211 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.546 -0.056 9.266 1.00 0.00 H new ATOM 1335 N TYR A 85 8.512 -1.062 9.197 1.00 0.00 N ATOM 1336 CA TYR A 85 9.915 -1.040 9.568 1.00 0.00 C ATOM 1337 C TYR A 85 10.508 0.324 9.260 1.00 0.00 C ATOM 1338 O TYR A 85 10.041 1.023 8.362 1.00 0.00 O ATOM 1339 CB TYR A 85 10.641 -2.138 8.815 1.00 0.00 C ATOM 1340 CG TYR A 85 10.130 -3.493 9.240 1.00 0.00 C ATOM 1341 CD1 TYR A 85 9.011 -4.017 8.612 1.00 0.00 C ATOM 1342 CD2 TYR A 85 10.759 -4.209 10.247 1.00 0.00 C ATOM 1343 CE1 TYR A 85 8.515 -5.246 8.982 1.00 0.00 C ATOM 1344 CE2 TYR A 85 10.265 -5.444 10.619 1.00 0.00 C ATOM 1345 CZ TYR A 85 9.147 -5.958 9.992 1.00 0.00 C ATOM 1346 OH TYR A 85 8.658 -7.193 10.352 1.00 0.00 O ATOM 0 H TYR A 85 8.333 -1.330 8.229 1.00 0.00 H new ATOM 0 HA TYR A 85 10.024 -1.218 10.638 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.498 -2.008 7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.712 -2.070 9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.525 -3.457 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.631 -3.803 10.738 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.643 -5.652 8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.753 -6.008 11.400 1.00 0.00 H new ATOM 0 HH TYR A 85 9.209 -7.566 11.072 1.00 0.00 H new ATOM 1356 N SER A 86 11.559 0.684 9.996 1.00 0.00 N ATOM 1357 CA SER A 86 12.209 1.991 9.896 1.00 0.00 C ATOM 1358 C SER A 86 12.879 2.274 8.554 1.00 0.00 C ATOM 1359 O SER A 86 13.227 3.420 8.273 1.00 0.00 O ATOM 1360 CB SER A 86 13.242 2.125 10.996 1.00 0.00 C ATOM 1361 OG SER A 86 14.303 1.232 10.802 1.00 0.00 O ATOM 0 H SER A 86 11.988 0.069 10.687 1.00 0.00 H new ATOM 0 HA SER A 86 11.408 2.724 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.622 3.146 11.020 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.775 1.936 11.963 1.00 0.00 H new ATOM 0 HG SER A 86 14.957 1.339 11.524 1.00 0.00 H new ATOM 1367 N ASN A 87 13.083 1.245 7.735 1.00 0.00 N ATOM 1368 CA ASN A 87 13.627 1.438 6.401 1.00 0.00 C ATOM 1369 C ASN A 87 12.527 1.640 5.356 1.00 0.00 C ATOM 1370 O ASN A 87 12.817 1.676 4.160 1.00 0.00 O ATOM 1371 CB ASN A 87 14.494 0.258 6.017 1.00 0.00 C ATOM 1372 CG ASN A 87 13.733 -1.033 5.868 1.00 0.00 C ATOM 1373 OD1 ASN A 87 12.496 -1.093 5.879 1.00 0.00 O ATOM 1374 ND2 ASN A 87 14.482 -2.098 5.724 1.00 0.00 N ATOM 0 H ASN A 87 12.880 0.274 7.974 1.00 0.00 H new ATOM 0 HA ASN A 87 14.231 2.345 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.000 0.481 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.269 0.127 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.049 -3.015 5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.498 -2.010 5.720 1.00 0.00 H new ATOM 1381 N GLY A 88 11.274 1.764 5.796 1.00 0.00 N ATOM 1382 CA GLY A 88 10.154 1.996 4.903 1.00 0.00 C ATOM 1383 C GLY A 88 9.285 0.769 4.667 1.00 0.00 C ATOM 1384 O GLY A 88 8.144 0.918 4.237 1.00 0.00 O ATOM 0 H GLY A 88 11.014 1.706 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.535 2.793 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.534 2.349 3.944 1.00 0.00 H new ATOM 1388 N HIS A 89 9.779 -0.439 4.932 1.00 0.00 N ATOM 1389 CA HIS A 89 8.967 -1.621 4.637 1.00 0.00 C ATOM 1390 C HIS A 89 7.606 -1.647 5.327 1.00 0.00 C ATOM 1391 O HIS A 89 7.497 -1.631 6.552 1.00 0.00 O ATOM 1392 CB HIS A 89 9.742 -2.890 5.017 1.00 0.00 C ATOM 1393 CG HIS A 89 9.071 -4.184 4.675 1.00 0.00 C ATOM 1394 ND1 HIS A 89 7.979 -4.662 5.368 1.00 0.00 N ATOM 1395 CD2 HIS A 89 9.344 -5.105 3.722 1.00 0.00 C ATOM 1396 CE1 HIS A 89 7.607 -5.821 4.853 1.00 0.00 C ATOM 1397 NE2 HIS A 89 8.420 -6.111 3.853 1.00 0.00 N ATOM 0 H HIS A 89 10.698 -0.624 5.334 1.00 0.00 H new ATOM 0 HA HIS A 89 8.768 -1.578 3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.713 -2.863 4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.930 -2.872 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.140 -5.057 2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.780 -6.427 5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.369 -6.948 3.272 1.00 0.00 H new ATOM 1405 N ILE A 90 6.541 -1.702 4.531 1.00 0.00 N ATOM 1406 CA ILE A 90 5.206 -1.767 5.115 1.00 0.00 C ATOM 1407 C ILE A 90 4.691 -3.195 5.124 1.00 0.00 C ATOM 1408 O ILE A 90 4.411 -3.779 4.073 1.00 0.00 O ATOM 1409 CB ILE A 90 4.214 -0.877 4.349 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.654 0.585 4.404 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.819 -1.043 4.914 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.856 1.482 3.490 1.00 0.00 C ATOM 0 H ILE A 90 6.572 -1.703 3.511 1.00 0.00 H new ATOM 0 HA ILE A 90 5.286 -1.403 6.139 1.00 0.00 H new ATOM 0 HB ILE A 90 4.200 -1.186 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.562 0.947 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.709 0.650 4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.125 -0.408 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.510 -2.084 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.816 -0.757 5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.219 2.506 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.968 1.144 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.804 1.445 3.772 1.00 0.00 H new ATOM 1424 N CYS A 91 4.488 -3.765 6.307 1.00 0.00 N ATOM 1425 CA CYS A 91 4.072 -5.156 6.293 1.00 0.00 C ATOM 1426 C CYS A 91 2.567 -5.337 6.335 1.00 0.00 C ATOM 1427 O CYS A 91 1.944 -5.374 7.397 1.00 0.00 O ATOM 1428 CB CYS A 91 4.683 -5.905 7.474 1.00 0.00 C ATOM 1429 SG CYS A 91 4.287 -7.669 7.499 1.00 0.00 S ATOM 0 H CYS A 91 4.595 -3.325 7.221 1.00 0.00 H new ATOM 0 HA CYS A 91 4.429 -5.562 5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.766 -5.785 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.334 -5.450 8.401 1.00 0.00 H new ATOM 0 HG CYS A 91 4.847 -8.225 8.532 1.00 0.00 H new ATOM 1435 N LEU A 92 2.011 -5.445 5.136 1.00 0.00 N ATOM 1436 CA LEU A 92 0.594 -5.730 4.951 1.00 0.00 C ATOM 1437 C LEU A 92 0.505 -7.245 4.811 1.00 0.00 C ATOM 1438 O LEU A 92 1.379 -7.836 4.176 1.00 0.00 O ATOM 1439 CB LEU A 92 0.040 -5.065 3.688 1.00 0.00 C ATOM 1440 CG LEU A 92 0.158 -3.546 3.542 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -0.331 -3.174 2.152 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -0.661 -2.840 4.613 1.00 0.00 C ATOM 0 H LEU A 92 2.529 -5.338 4.264 1.00 0.00 H new ATOM 0 HA LEU A 92 0.010 -5.345 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.538 -5.519 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.017 -5.322 3.616 1.00 0.00 H new ATOM 0 HG LEU A 92 1.194 -3.232 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.259 -2.095 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.284 -3.675 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.369 -3.485 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.564 -1.761 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.709 -3.124 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.297 -3.129 5.599 1.00 0.00 H new ATOM 1454 N SER A 93 -0.541 -7.890 5.340 1.00 0.00 N ATOM 1455 CA SER A 93 -0.591 -9.352 5.231 1.00 0.00 C ATOM 1456 C SER A 93 -0.734 -9.836 3.802 1.00 0.00 C ATOM 1457 O SER A 93 -0.243 -10.915 3.459 1.00 0.00 O ATOM 1458 CB SER A 93 -1.776 -9.956 5.943 1.00 0.00 C ATOM 1459 OG SER A 93 -2.952 -9.610 5.263 1.00 0.00 O ATOM 0 H SER A 93 -1.325 -7.452 5.823 1.00 0.00 H new ATOM 0 HA SER A 93 0.355 -9.662 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.674 -11.040 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.818 -9.597 6.971 1.00 0.00 H new ATOM 0 HG SER A 93 -3.346 -10.413 4.862 1.00 0.00 H new ATOM 1465 N ILE A 94 -1.363 -8.996 2.976 1.00 0.00 N ATOM 1466 CA ILE A 94 -1.598 -9.242 1.563 1.00 0.00 C ATOM 1467 C ILE A 94 -0.342 -9.262 0.731 1.00 0.00 C ATOM 1468 O ILE A 94 -0.403 -9.591 -0.447 1.00 0.00 O ATOM 1469 CB ILE A 94 -2.545 -8.198 0.958 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -1.906 -6.810 1.013 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.869 -8.218 1.703 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -2.679 -5.768 0.243 1.00 0.00 C ATOM 0 H ILE A 94 -1.732 -8.098 3.289 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.047 -10.235 1.533 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.731 -8.441 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.823 -6.496 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.892 -6.868 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.540 -7.476 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.319 -9.207 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.699 -7.986 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.172 -4.806 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.739 -6.061 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.685 -5.683 0.655 1.00 0.00 H new ATOM 1484 N LEU A 95 0.799 -8.899 1.288 1.00 0.00 N ATOM 1485 CA LEU A 95 2.000 -8.952 0.495 1.00 0.00 C ATOM 1486 C LEU A 95 2.668 -10.314 0.623 1.00 0.00 C ATOM 1487 O LEU A 95 3.574 -10.636 -0.149 1.00 0.00 O ATOM 1488 CB LEU A 95 2.895 -7.822 0.960 1.00 0.00 C ATOM 1489 CG LEU A 95 2.200 -6.478 0.758 1.00 0.00 C ATOM 1490 CD1 LEU A 95 3.059 -5.387 1.361 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.935 -6.257 -0.726 1.00 0.00 C ATOM 0 H LEU A 95 0.914 -8.577 2.249 1.00 0.00 H new ATOM 0 HA LEU A 95 1.780 -8.826 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.144 -7.956 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.833 -7.841 0.406 1.00 0.00 H new ATOM 0 HG LEU A 95 1.234 -6.461 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.572 -4.422 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.193 -5.576 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.032 -5.376 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.439 -5.297 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.880 -6.261 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.296 -7.055 -1.104 1.00 0.00 H new ATOM 1503 N THR A 96 2.210 -11.117 1.591 1.00 0.00 N ATOM 1504 CA THR A 96 2.749 -12.449 1.802 1.00 0.00 C ATOM 1505 C THR A 96 1.615 -13.460 1.695 1.00 0.00 C ATOM 1506 O THR A 96 1.139 -13.775 0.602 1.00 0.00 O ATOM 1507 CB THR A 96 3.434 -12.602 3.176 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.495 -12.297 4.215 1.00 0.00 O ATOM 1509 CG2 THR A 96 4.623 -11.659 3.288 1.00 0.00 C ATOM 0 H THR A 96 1.465 -10.859 2.238 1.00 0.00 H new ATOM 0 HA THR A 96 3.508 -12.623 1.039 1.00 0.00 H new ATOM 0 HB THR A 96 3.784 -13.629 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.644 -12.895 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.094 -11.781 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.346 -11.890 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.283 -10.630 3.175 1.00 0.00 H new ATOM 1517 N GLU A 97 1.154 -13.919 2.857 1.00 0.00 N ATOM 1518 CA GLU A 97 0.148 -14.966 2.979 1.00 0.00 C ATOM 1519 C GLU A 97 -1.220 -14.653 2.392 1.00 0.00 C ATOM 1520 O GLU A 97 -1.897 -15.569 1.924 1.00 0.00 O ATOM 1521 CB GLU A 97 -0.033 -15.311 4.457 1.00 0.00 C ATOM 1522 CG GLU A 97 1.165 -16.010 5.080 1.00 0.00 C ATOM 1523 CD GLU A 97 0.979 -16.311 6.541 1.00 0.00 C ATOM 1524 OE1 GLU A 97 -0.001 -15.883 7.103 1.00 0.00 O ATOM 1525 OE2 GLU A 97 1.821 -16.976 7.097 1.00 0.00 O ATOM 0 H GLU A 97 1.478 -13.565 3.757 1.00 0.00 H new ATOM 0 HA GLU A 97 0.537 -15.796 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.235 -14.394 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.910 -15.949 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.354 -16.941 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.049 -15.385 4.954 1.00 0.00 H new ATOM 1532 N ASP A 98 -1.642 -13.393 2.403 1.00 0.00 N ATOM 1533 CA ASP A 98 -2.944 -13.077 1.841 1.00 0.00 C ATOM 1534 C ASP A 98 -2.844 -12.562 0.399 1.00 0.00 C ATOM 1535 O ASP A 98 -3.839 -12.069 -0.133 1.00 0.00 O ATOM 1536 CB ASP A 98 -3.696 -12.081 2.742 1.00 0.00 C ATOM 1537 CG ASP A 98 -4.100 -12.663 4.097 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -4.342 -13.846 4.152 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -4.174 -11.932 5.062 1.00 0.00 O ATOM 0 H ASP A 98 -1.121 -12.601 2.781 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.517 -14.004 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.067 -11.206 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.591 -11.738 2.222 1.00 0.00 H new ATOM 1544 N TRP A 99 -1.668 -12.650 -0.240 1.00 0.00 N ATOM 1545 CA TRP A 99 -1.581 -12.178 -1.619 1.00 0.00 C ATOM 1546 C TRP A 99 -2.429 -12.963 -2.590 1.00 0.00 C ATOM 1547 O TRP A 99 -2.387 -14.192 -2.661 1.00 0.00 O ATOM 1548 CB TRP A 99 -0.154 -12.171 -2.184 1.00 0.00 C ATOM 1549 CG TRP A 99 -0.161 -11.720 -3.630 1.00 0.00 C ATOM 1550 CD1 TRP A 99 0.129 -12.507 -4.707 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.525 -10.423 -4.180 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -0.014 -11.793 -5.869 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -0.420 -10.523 -5.569 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.939 -9.207 -3.624 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -0.713 -9.460 -6.407 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -1.236 -8.144 -4.462 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.129 -8.271 -5.819 1.00 0.00 C ATOM 0 H TRP A 99 -0.806 -13.025 0.156 1.00 0.00 H new ATOM 0 HA TRP A 99 -1.956 -11.158 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 99 0.475 -11.506 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 99 0.278 -13.169 -2.110 1.00 0.00 H new ATOM 0 HD1 TRP A 99 0.428 -13.543 -4.652 1.00 0.00 H new ATOM 0 HE1 TRP A 99 0.156 -12.153 -6.808 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -1.026 -9.098 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.622 -9.552 -7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.556 -7.204 -4.038 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.373 -7.428 -6.449 1.00 0.00 H new ATOM 1568 N SER A 100 -3.194 -12.196 -3.345 1.00 0.00 N ATOM 1569 CA SER A 100 -4.052 -12.685 -4.393 1.00 0.00 C ATOM 1570 C SER A 100 -3.833 -11.811 -5.614 1.00 0.00 C ATOM 1571 O SER A 100 -3.946 -10.594 -5.492 1.00 0.00 O ATOM 1572 CB SER A 100 -5.515 -12.625 -4.019 1.00 0.00 C ATOM 1573 OG SER A 100 -6.308 -13.005 -5.115 1.00 0.00 O ATOM 0 H SER A 100 -3.232 -11.182 -3.237 1.00 0.00 H new ATOM 0 HA SER A 100 -3.803 -13.730 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.710 -13.284 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.777 -11.615 -3.703 1.00 0.00 H new ATOM 0 HG SER A 100 -7.254 -12.965 -4.864 1.00 0.00 H new ATOM 1579 N PRO A 101 -3.528 -12.388 -6.783 1.00 0.00 N ATOM 1580 CA PRO A 101 -3.359 -11.705 -8.054 1.00 0.00 C ATOM 1581 C PRO A 101 -4.518 -10.793 -8.452 1.00 0.00 C ATOM 1582 O PRO A 101 -4.343 -9.908 -9.287 1.00 0.00 O ATOM 1583 CB PRO A 101 -3.202 -12.900 -9.003 1.00 0.00 C ATOM 1584 CG PRO A 101 -2.602 -13.982 -8.152 1.00 0.00 C ATOM 1585 CD PRO A 101 -3.209 -13.819 -6.782 1.00 0.00 C ATOM 0 HA PRO A 101 -2.526 -11.002 -8.049 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.163 -13.207 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.556 -12.655 -9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.823 -14.968 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.517 -13.889 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.096 -14.439 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.511 -14.085 -5.988 1.00 0.00 H new ATOM 1593 N ALA A 102 -5.706 -11.013 -7.882 1.00 0.00 N ATOM 1594 CA ALA A 102 -6.876 -10.189 -8.140 1.00 0.00 C ATOM 1595 C ALA A 102 -6.790 -8.815 -7.460 1.00 0.00 C ATOM 1596 O ALA A 102 -7.555 -7.916 -7.814 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.122 -10.916 -7.663 1.00 0.00 C ATOM 0 H ALA A 102 -5.878 -11.774 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.923 -10.016 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.000 -10.299 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.219 -11.861 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.043 -11.110 -6.593 1.00 0.00 H new ATOM 1603 N LEU A 103 -5.873 -8.635 -6.507 1.00 0.00 N ATOM 1604 CA LEU A 103 -5.735 -7.370 -5.793 1.00 0.00 C ATOM 1605 C LEU A 103 -5.078 -6.293 -6.649 1.00 0.00 C ATOM 1606 O LEU A 103 -4.161 -6.567 -7.426 1.00 0.00 O ATOM 1607 CB LEU A 103 -4.900 -7.588 -4.525 1.00 0.00 C ATOM 1608 CG LEU A 103 -5.506 -8.509 -3.458 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -4.492 -8.740 -2.345 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -6.763 -7.866 -2.901 1.00 0.00 C ATOM 0 H LEU A 103 -5.213 -9.355 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.737 -7.026 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.933 -7.996 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.711 -6.616 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.762 -9.471 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.925 -9.394 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.597 -9.206 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.227 -7.785 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.198 -8.516 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.512 -6.904 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.482 -7.716 -3.706 1.00 0.00 H new ATOM 1622 N SER A 104 -5.584 -5.070 -6.516 1.00 0.00 N ATOM 1623 CA SER A 104 -5.090 -3.898 -7.233 1.00 0.00 C ATOM 1624 C SER A 104 -4.189 -3.023 -6.374 1.00 0.00 C ATOM 1625 O SER A 104 -4.145 -3.209 -5.161 1.00 0.00 O ATOM 1626 CB SER A 104 -6.275 -3.080 -7.692 1.00 0.00 C ATOM 1627 OG SER A 104 -6.956 -2.526 -6.594 1.00 0.00 O ATOM 0 H SER A 104 -6.365 -4.862 -5.894 1.00 0.00 H new ATOM 0 HA SER A 104 -4.495 -4.250 -8.076 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.938 -2.284 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.955 -3.708 -8.268 1.00 0.00 H new ATOM 0 HG SER A 104 -7.802 -2.136 -6.897 1.00 0.00 H new ATOM 1633 N VAL A 105 -3.464 -2.076 -6.969 1.00 0.00 N ATOM 1634 CA VAL A 105 -2.702 -1.141 -6.148 1.00 0.00 C ATOM 1635 C VAL A 105 -3.632 -0.307 -5.273 1.00 0.00 C ATOM 1636 O VAL A 105 -3.211 0.144 -4.213 1.00 0.00 O ATOM 1637 CB VAL A 105 -1.847 -0.202 -7.009 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.744 0.784 -7.746 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -0.863 0.540 -6.109 1.00 0.00 C ATOM 0 H VAL A 105 -3.389 -1.939 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.042 -1.736 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.292 -0.780 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.131 1.448 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.435 0.238 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.308 1.373 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.251 1.210 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.414 1.120 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.220 -0.179 -5.601 1.00 0.00 H new ATOM 1649 N GLN A 106 -4.876 -0.093 -5.713 1.00 0.00 N ATOM 1650 CA GLN A 106 -5.883 0.605 -4.933 1.00 0.00 C ATOM 1651 C GLN A 106 -6.187 -0.226 -3.702 1.00 0.00 C ATOM 1652 O GLN A 106 -6.306 0.324 -2.610 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.157 0.852 -5.744 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.241 1.601 -4.983 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.477 1.854 -5.829 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.415 1.872 -7.061 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.614 2.044 -5.169 1.00 0.00 N ATOM 0 H GLN A 106 -5.207 -0.404 -6.626 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.500 1.584 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.901 1.417 -6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.556 -0.107 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.521 1.029 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.843 2.554 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.622 2.021 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.479 2.213 -5.682 1.00 0.00 H new ATOM 1666 N SER A 107 -6.326 -1.543 -3.902 1.00 0.00 N ATOM 1667 CA SER A 107 -6.596 -2.508 -2.836 1.00 0.00 C ATOM 1668 C SER A 107 -5.486 -2.421 -1.787 1.00 0.00 C ATOM 1669 O SER A 107 -5.757 -2.451 -0.584 1.00 0.00 O ATOM 1670 CB SER A 107 -6.610 -3.937 -3.369 1.00 0.00 C ATOM 1671 OG SER A 107 -7.592 -4.153 -4.351 1.00 0.00 O ATOM 0 H SER A 107 -6.252 -1.972 -4.825 1.00 0.00 H new ATOM 0 HA SER A 107 -7.571 -2.269 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.631 -4.172 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.777 -4.625 -2.540 1.00 0.00 H new ATOM 0 HG SER A 107 -7.442 -3.543 -5.103 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.244 -2.328 -2.275 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.048 -2.221 -1.449 1.00 0.00 C ATOM 1679 C VAL A 108 -2.978 -0.907 -0.682 1.00 0.00 C ATOM 1680 O VAL A 108 -2.706 -0.918 0.517 1.00 0.00 O ATOM 1681 CB VAL A 108 -1.782 -2.357 -2.319 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -0.566 -2.055 -1.474 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -1.669 -3.762 -2.895 1.00 0.00 C ATOM 0 H VAL A 108 -4.044 -2.325 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.102 -3.032 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.846 -1.651 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.333 -2.149 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.636 -1.039 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.517 -2.759 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.769 -3.834 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.615 -4.485 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.543 -3.974 -3.511 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.212 0.213 -1.359 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.195 1.511 -0.698 1.00 0.00 C ATOM 1695 C CYS A 109 -4.332 1.632 0.306 1.00 0.00 C ATOM 1696 O CYS A 109 -4.165 2.251 1.355 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.298 2.636 -1.722 1.00 0.00 C ATOM 1698 SG CYS A 109 -1.863 2.921 -2.767 1.00 0.00 S ATOM 0 H CYS A 109 -3.414 0.247 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.248 1.595 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.152 2.430 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.518 3.561 -1.189 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.831 2.313 -2.262 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.485 1.057 -0.015 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.622 1.062 0.886 1.00 0.00 C ATOM 1706 C LEU A 110 -6.269 0.232 2.110 1.00 0.00 C ATOM 1707 O LEU A 110 -6.654 0.600 3.220 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.875 0.542 0.188 1.00 0.00 C ATOM 1709 CG LEU A 110 -9.143 0.580 1.044 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.399 2.019 1.477 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -10.311 0.047 0.229 1.00 0.00 C ATOM 0 H LEU A 110 -5.654 0.579 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.845 2.082 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.043 1.131 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.698 -0.485 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.025 -0.042 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.301 2.060 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.550 2.381 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.529 2.647 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.218 0.071 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -10.449 0.666 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.105 -0.979 -0.074 1.00 0.00 H new ATOM 1723 N SER A 111 -5.594 -0.906 1.900 1.00 0.00 N ATOM 1724 CA SER A 111 -5.111 -1.743 2.991 1.00 0.00 C ATOM 1725 C SER A 111 -4.172 -0.935 3.888 1.00 0.00 C ATOM 1726 O SER A 111 -4.211 -1.125 5.102 1.00 0.00 O ATOM 1727 CB SER A 111 -4.411 -2.980 2.457 1.00 0.00 C ATOM 1728 OG SER A 111 -5.313 -3.799 1.764 1.00 0.00 O ATOM 0 H SER A 111 -5.372 -1.265 0.972 1.00 0.00 H new ATOM 0 HA SER A 111 -5.965 -2.074 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.597 -2.686 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.966 -3.537 3.282 1.00 0.00 H new ATOM 0 HG SER A 111 -5.433 -3.456 0.854 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.323 -0.080 3.305 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.450 0.820 4.064 1.00 0.00 C ATOM 1736 C ILE A 112 -3.283 1.795 4.889 1.00 0.00 C ATOM 1737 O ILE A 112 -2.935 2.064 6.037 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.490 1.609 3.155 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.496 0.640 2.538 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.769 2.693 3.945 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.307 1.243 1.422 1.00 0.00 C ATOM 0 H ILE A 112 -3.223 0.006 2.294 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.848 0.195 4.723 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.057 2.102 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.183 0.284 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.034 -0.230 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.096 3.238 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.500 3.382 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.194 2.235 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.997 0.498 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.364 1.574 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.871 2.096 1.799 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.348 2.353 4.306 1.00 0.00 N ATOM 1754 CA ILE A 113 -5.237 3.236 5.059 1.00 0.00 C ATOM 1755 C ILE A 113 -5.831 2.489 6.248 1.00 0.00 C ATOM 1756 O ILE A 113 -5.894 3.037 7.350 1.00 0.00 O ATOM 1757 CB ILE A 113 -6.400 3.793 4.209 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.880 4.756 3.146 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -7.407 4.485 5.115 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -6.908 5.139 2.103 1.00 0.00 C ATOM 0 H ILE A 113 -4.611 2.211 3.331 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.625 4.076 5.386 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.892 2.966 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.520 5.661 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -5.024 4.302 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.227 4.878 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.797 3.769 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.919 5.305 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.459 5.825 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.251 4.244 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.755 5.624 2.588 1.00 0.00 H new ATOM 1772 N SER A 114 -6.296 1.260 6.012 1.00 0.00 N ATOM 1773 CA SER A 114 -6.851 0.420 7.064 1.00 0.00 C ATOM 1774 C SER A 114 -5.804 0.120 8.128 1.00 0.00 C ATOM 1775 O SER A 114 -6.113 0.137 9.316 1.00 0.00 O ATOM 1776 CB SER A 114 -7.377 -0.882 6.487 1.00 0.00 C ATOM 1777 OG SER A 114 -8.474 -0.662 5.644 1.00 0.00 O ATOM 0 H SER A 114 -6.297 0.825 5.089 1.00 0.00 H new ATOM 0 HA SER A 114 -7.675 0.965 7.525 1.00 0.00 H new ATOM 0 HB2 SER A 114 -6.584 -1.382 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.668 -1.550 7.298 1.00 0.00 H new ATOM 0 HG SER A 114 -8.164 -0.278 4.797 1.00 0.00 H new ATOM 1783 N MET A 115 -4.573 -0.154 7.708 1.00 0.00 N ATOM 1784 CA MET A 115 -3.450 -0.408 8.598 1.00 0.00 C ATOM 1785 C MET A 115 -3.199 0.754 9.552 1.00 0.00 C ATOM 1786 O MET A 115 -3.062 0.567 10.765 1.00 0.00 O ATOM 1787 CB MET A 115 -2.195 -0.660 7.769 1.00 0.00 C ATOM 1788 CG MET A 115 -0.956 -0.896 8.596 1.00 0.00 C ATOM 1789 SD MET A 115 0.551 -0.919 7.622 1.00 0.00 S ATOM 1790 CE MET A 115 0.623 0.837 7.261 1.00 0.00 C ATOM 0 H MET A 115 -4.325 -0.206 6.720 1.00 0.00 H new ATOM 0 HA MET A 115 -3.695 -1.284 9.199 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.362 -1.525 7.127 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.026 0.195 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.879 -0.116 9.354 1.00 0.00 H new ATOM 0 HG3 MET A 115 -1.054 -1.845 9.123 1.00 0.00 H new ATOM 0 HE1 MET A 115 1.563 1.067 6.760 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.210 1.110 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 115 0.559 1.402 8.191 1.00 0.00 H new ATOM 1800 N LEU A 116 -3.102 1.950 8.980 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.881 3.176 9.728 1.00 0.00 C ATOM 1802 C LEU A 116 -4.058 3.550 10.632 1.00 0.00 C ATOM 1803 O LEU A 116 -3.857 3.948 11.780 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.644 4.316 8.724 1.00 0.00 C ATOM 1805 CG LEU A 116 -1.347 4.286 7.896 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -1.437 5.348 6.814 1.00 0.00 C ATOM 1807 CD2 LEU A 116 -0.149 4.565 8.786 1.00 0.00 C ATOM 0 H LEU A 116 -3.176 2.093 7.973 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.019 3.016 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.484 4.331 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.668 5.257 9.274 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.224 3.301 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.524 5.339 6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.292 5.140 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.559 6.328 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.762 4.541 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.257 5.548 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.091 3.806 9.566 1.00 0.00 H new ATOM 1819 N SER A 117 -5.289 3.395 10.140 1.00 0.00 N ATOM 1820 CA SER A 117 -6.462 3.780 10.918 1.00 0.00 C ATOM 1821 C SER A 117 -6.983 2.763 11.930 1.00 0.00 C ATOM 1822 O SER A 117 -7.615 3.157 12.911 1.00 0.00 O ATOM 1823 CB SER A 117 -7.582 4.123 9.955 1.00 0.00 C ATOM 1824 OG SER A 117 -7.978 3.000 9.221 1.00 0.00 O ATOM 0 H SER A 117 -5.496 3.010 9.218 1.00 0.00 H new ATOM 0 HA SER A 117 -6.131 4.624 11.524 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.434 4.518 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.253 4.908 9.275 1.00 0.00 H new ATOM 0 HG SER A 117 -7.344 2.847 8.489 1.00 0.00 H new ATOM 1830 N SER A 118 -6.738 1.472 11.716 1.00 0.00 N ATOM 1831 CA SER A 118 -7.149 0.450 12.676 1.00 0.00 C ATOM 1832 C SER A 118 -5.914 -0.222 13.255 1.00 0.00 C ATOM 1833 O SER A 118 -5.883 -1.442 13.414 1.00 0.00 O ATOM 1834 CB SER A 118 -8.051 -0.597 12.047 1.00 0.00 C ATOM 1835 OG SER A 118 -7.421 -1.261 10.987 1.00 0.00 O ATOM 0 H SER A 118 -6.260 1.110 10.891 1.00 0.00 H new ATOM 0 HA SER A 118 -7.719 0.943 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.348 -1.322 12.804 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.963 -0.121 11.686 1.00 0.00 H new ATOM 0 HG SER A 118 -7.194 -0.615 10.286 1.00 0.00 H new