USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.6!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.53 K(o=-0.53,f=-2.5!) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0456) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 43:sc= 0.167 USER MOD Single : A 24 SER OG : rot -155:sc= 0.328 USER MOD Single : A 25 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 37 THR OG1 : rot 140:sc= 1.52 USER MOD Single : A 38 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.011) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00261 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -137:sc= 0 (180deg=-0.903) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 83:sc= -1.16 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -151:sc= 0.0709 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -8.22! C(o=-8.2!,f=-10!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.644 K(o=-0.64,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.25) USER MOD Single : A 83 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.27) USER MOD Single : A 84 HIS : no HD1:sc= -0.974 X(o=-0.97,f=-0.96) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -3.842 -13.220 -9.398 1.00 0.00 N ATOM 41 CA ASN A 4 -3.667 -11.869 -8.877 1.00 0.00 C ATOM 42 C ASN A 4 -3.190 -11.909 -7.426 1.00 0.00 C ATOM 43 O ASN A 4 -3.663 -12.727 -6.637 1.00 0.00 O ATOM 44 CB ASN A 4 -4.980 -11.088 -8.975 1.00 0.00 C ATOM 45 CG ASN A 4 -4.757 -9.600 -9.160 1.00 0.00 C ATOM 46 OD1 ASN A 4 -4.545 -8.867 -8.194 1.00 0.00 O ATOM 47 ND2 ASN A 4 -4.805 -9.145 -10.407 1.00 0.00 N ATOM 0 HA ASN A 4 -2.910 -11.366 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.566 -11.471 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.567 -11.255 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.663 -8.152 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.984 -9.788 -11.178 1.00 0.00 H new ATOM 54 N PRO A 5 -2.245 -11.025 -7.052 1.00 0.00 N ATOM 55 CA PRO A 5 -1.710 -10.974 -5.686 1.00 0.00 C ATOM 56 C PRO A 5 -2.795 -10.716 -4.645 1.00 0.00 C ATOM 57 O PRO A 5 -2.721 -11.217 -3.524 1.00 0.00 O ATOM 58 CB PRO A 5 -0.723 -9.801 -5.724 1.00 0.00 C ATOM 59 CG PRO A 5 -0.385 -9.629 -7.166 1.00 0.00 C ATOM 60 CD PRO A 5 -1.621 -10.015 -7.924 1.00 0.00 C ATOM 0 HA PRO A 5 -1.255 -11.922 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.169 -8.896 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.167 -10.015 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.100 -8.599 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.459 -10.258 -7.448 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.278 -9.161 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.381 -10.423 -8.906 1.00 0.00 H new ATOM 68 N ALA A 6 -3.800 -9.934 -5.023 1.00 0.00 N ATOM 69 CA ALA A 6 -4.901 -9.606 -4.124 1.00 0.00 C ATOM 70 C ALA A 6 -5.962 -10.702 -4.126 1.00 0.00 C ATOM 71 O ALA A 6 -6.780 -10.793 -3.210 1.00 0.00 O ATOM 72 CB ALA A 6 -5.519 -8.272 -4.515 1.00 0.00 C ATOM 0 H ALA A 6 -3.875 -9.514 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.500 -9.529 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.340 -8.038 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.763 -7.489 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.898 -8.332 -5.535 1.00 0.00 H new ATOM 78 N GLU A 7 -5.938 -11.532 -5.161 1.00 0.00 N ATOM 79 CA GLU A 7 -6.905 -12.618 -5.296 1.00 0.00 C ATOM 80 C GLU A 7 -6.450 -13.857 -4.530 1.00 0.00 C ATOM 81 O GLU A 7 -7.265 -14.566 -3.937 1.00 0.00 O ATOM 82 CB GLU A 7 -7.110 -12.964 -6.772 1.00 0.00 C ATOM 83 CG GLU A 7 -8.092 -12.046 -7.483 1.00 0.00 C ATOM 84 CD GLU A 7 -8.845 -12.747 -8.596 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.768 -13.530 -8.288 1.00 0.00 O ATOM 86 OE2 GLU A 7 -8.511 -12.514 -9.777 1.00 0.00 O ATOM 0 H GLU A 7 -5.260 -11.475 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.851 -12.281 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.149 -12.920 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.465 -13.992 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.805 -11.652 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.553 -11.193 -7.895 1.00 0.00 H new ATOM 93 N ASN A 8 -5.146 -14.109 -4.543 1.00 0.00 N ATOM 94 CA ASN A 8 -4.582 -15.266 -3.856 1.00 0.00 C ATOM 95 C ASN A 8 -4.313 -14.966 -2.384 1.00 0.00 C ATOM 96 O ASN A 8 -4.362 -15.861 -1.541 1.00 0.00 O ATOM 97 CB ASN A 8 -3.289 -15.709 -4.542 1.00 0.00 C ATOM 98 CG ASN A 8 -3.442 -17.038 -5.255 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.212 -17.160 -6.207 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.707 -18.045 -4.796 1.00 0.00 N ATOM 0 H ASN A 8 -4.459 -13.527 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.314 -16.072 -3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.982 -14.948 -5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.495 -15.787 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.769 -18.963 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.081 -17.900 -4.004 1.00 0.00 H new ATOM 107 N PHE A 9 -4.031 -13.703 -2.079 1.00 0.00 N ATOM 108 CA PHE A 9 -3.750 -13.293 -0.708 1.00 0.00 C ATOM 109 C PHE A 9 -5.030 -13.210 0.117 1.00 0.00 C ATOM 110 O PHE A 9 -5.090 -13.717 1.237 1.00 0.00 O ATOM 111 CB PHE A 9 -3.032 -11.938 -0.696 1.00 0.00 C ATOM 112 CG PHE A 9 -3.186 -11.176 0.592 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.435 -11.512 1.706 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.081 -10.121 0.683 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.574 -10.810 2.889 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.224 -9.416 1.863 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.470 -9.760 2.967 1.00 0.00 C ATOM 0 H PHE A 9 -3.991 -12.947 -2.762 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.103 -14.047 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.971 -12.099 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.414 -11.328 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.733 -12.331 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.673 -9.847 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.983 -11.082 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.925 -8.597 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.580 -9.210 3.890 1.00 0.00 H new ATOM 127 N ARG A 10 -6.052 -12.576 -0.447 1.00 0.00 N ATOM 128 CA ARG A 10 -7.325 -12.413 0.244 1.00 0.00 C ATOM 129 C ARG A 10 -7.992 -13.757 0.521 1.00 0.00 C ATOM 130 O ARG A 10 -8.556 -13.966 1.593 1.00 0.00 O ATOM 131 CB ARG A 10 -8.264 -11.530 -0.580 1.00 0.00 C ATOM 132 CG ARG A 10 -7.999 -10.043 -0.419 1.00 0.00 C ATOM 133 CD ARG A 10 -8.839 -9.221 -1.384 1.00 0.00 C ATOM 134 NE ARG A 10 -10.041 -8.690 -0.748 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.580 -7.515 -1.054 1.00 0.00 C ATOM 136 NH1 ARG A 10 -10.025 -6.745 -1.980 1.00 0.00 N ATOM 137 NH2 ARG A 10 -11.679 -7.106 -0.432 1.00 0.00 N ATOM 0 H ARG A 10 -6.023 -12.167 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.120 -11.934 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.168 -11.796 -1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.294 -11.740 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.219 -9.742 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.942 -9.840 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.241 -8.397 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.123 -9.840 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.493 -9.253 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.180 -7.054 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.443 -5.844 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.110 -7.694 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.092 -6.204 -0.667 1.00 0.00 H new ATOM 151 N VAL A 11 -7.921 -14.665 -0.445 1.00 0.00 N ATOM 152 CA VAL A 11 -8.538 -15.979 -0.305 1.00 0.00 C ATOM 153 C VAL A 11 -7.842 -16.838 0.751 1.00 0.00 C ATOM 154 O VAL A 11 -8.498 -17.581 1.483 1.00 0.00 O ATOM 155 CB VAL A 11 -8.550 -16.741 -1.646 1.00 0.00 C ATOM 156 CG1 VAL A 11 -7.134 -17.047 -2.110 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.367 -18.019 -1.530 1.00 0.00 C ATOM 0 H VAL A 11 -7.443 -14.516 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.563 -15.797 0.018 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.019 -16.102 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.170 -17.585 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.585 -16.115 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.631 -17.661 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.363 -18.542 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.932 -18.661 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.393 -17.772 -1.256 1.00 0.00 H new ATOM 167 N LEU A 12 -6.517 -16.737 0.834 1.00 0.00 N ATOM 168 CA LEU A 12 -5.756 -17.530 1.798 1.00 0.00 C ATOM 169 C LEU A 12 -5.869 -16.969 3.216 1.00 0.00 C ATOM 170 O LEU A 12 -5.723 -17.706 4.190 1.00 0.00 O ATOM 171 CB LEU A 12 -4.284 -17.619 1.375 1.00 0.00 C ATOM 172 CG LEU A 12 -3.379 -16.486 1.872 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.726 -16.863 3.193 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.318 -16.162 0.832 1.00 0.00 C ATOM 0 H LEU A 12 -5.952 -16.120 0.251 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.186 -18.532 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.879 -18.566 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.239 -17.644 0.286 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.993 -15.600 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.088 -16.046 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.498 -17.052 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.124 -17.762 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.683 -15.356 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.709 -17.047 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.800 -15.851 -0.095 1.00 0.00 H new ATOM 186 N VAL A 13 -6.122 -15.669 3.332 1.00 0.00 N ATOM 187 CA VAL A 13 -6.242 -15.040 4.644 1.00 0.00 C ATOM 188 C VAL A 13 -7.698 -14.958 5.099 1.00 0.00 C ATOM 189 O VAL A 13 -7.975 -14.622 6.251 1.00 0.00 O ATOM 190 CB VAL A 13 -5.622 -13.630 4.663 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.143 -13.693 4.312 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.362 -12.699 3.716 1.00 0.00 C ATOM 0 H VAL A 13 -6.247 -15.035 2.542 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.690 -15.674 5.338 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.719 -13.229 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.722 -12.688 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.623 -14.318 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.023 -14.119 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.905 -11.710 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.306 -13.093 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.406 -12.626 4.020 1.00 0.00 H new ATOM 202 N LYS A 14 -8.625 -15.264 4.196 1.00 0.00 N ATOM 203 CA LYS A 14 -10.049 -15.218 4.521 1.00 0.00 C ATOM 204 C LYS A 14 -10.598 -16.613 4.807 1.00 0.00 C ATOM 205 O LYS A 14 -11.604 -16.759 5.503 1.00 0.00 O ATOM 206 CB LYS A 14 -10.839 -14.577 3.378 1.00 0.00 C ATOM 207 CG LYS A 14 -10.900 -13.061 3.454 1.00 0.00 C ATOM 208 CD LYS A 14 -12.050 -12.508 2.627 1.00 0.00 C ATOM 209 CE LYS A 14 -12.147 -10.995 2.748 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.021 -10.409 1.694 1.00 0.00 N ATOM 0 H LYS A 14 -8.418 -15.545 3.238 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.162 -14.612 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.388 -14.867 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.854 -14.974 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.016 -12.752 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.959 -12.640 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.912 -12.782 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.986 -12.961 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.539 -10.734 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.150 -10.560 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.061 -9.376 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.634 -10.636 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.979 -10.804 1.778 1.00 0.00 H new ATOM 224 N GLN A 15 -9.939 -17.633 4.267 1.00 0.00 N ATOM 225 CA GLN A 15 -10.370 -19.014 4.468 1.00 0.00 C ATOM 226 C GLN A 15 -10.484 -19.338 5.953 1.00 0.00 C ATOM 227 O GLN A 15 -11.336 -20.129 6.361 1.00 0.00 O ATOM 228 CB GLN A 15 -9.395 -19.982 3.794 1.00 0.00 C ATOM 229 CG GLN A 15 -7.941 -19.732 4.153 1.00 0.00 C ATOM 230 CD GLN A 15 -7.003 -20.746 3.527 1.00 0.00 C ATOM 231 OE1 GLN A 15 -6.161 -21.334 4.206 1.00 0.00 O ATOM 232 NE2 GLN A 15 -7.144 -20.955 2.223 1.00 0.00 N ATOM 0 H GLN A 15 -9.106 -17.531 3.688 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.354 -19.129 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.659 -21.002 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.511 -19.907 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.657 -18.731 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.828 -19.759 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.855 -20.445 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.541 -21.625 1.746 1.00 0.00 H new ATOM 241 N LYS A 16 -9.622 -18.724 6.759 1.00 0.00 N ATOM 242 CA LYS A 16 -9.630 -18.945 8.200 1.00 0.00 C ATOM 243 C LYS A 16 -8.728 -17.941 8.912 1.00 0.00 C ATOM 244 O LYS A 16 -9.188 -17.175 9.760 1.00 0.00 O ATOM 245 CB LYS A 16 -9.181 -20.373 8.525 1.00 0.00 C ATOM 246 CG LYS A 16 -7.933 -20.808 7.775 1.00 0.00 C ATOM 247 CD LYS A 16 -7.490 -22.202 8.191 1.00 0.00 C ATOM 248 CE LYS A 16 -6.265 -22.652 7.412 1.00 0.00 C ATOM 249 NZ LYS A 16 -5.004 -22.405 8.167 1.00 0.00 N ATOM 0 H LYS A 16 -8.909 -18.069 6.437 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.651 -18.804 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.996 -20.451 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.993 -21.062 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.128 -20.792 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.128 -20.098 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.268 -22.211 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.305 -22.908 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.350 -23.715 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.227 -22.124 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.188 -22.647 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.951 -21.402 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.991 -22.994 9.024 1.00 0.00 H new ATOM 263 N LYS A 17 -7.446 -17.944 8.549 1.00 0.00 N ATOM 264 CA LYS A 17 -6.467 -17.041 9.153 1.00 0.00 C ATOM 265 C LYS A 17 -5.062 -17.311 8.616 1.00 0.00 C ATOM 266 O LYS A 17 -4.205 -16.428 8.640 1.00 0.00 O ATOM 267 CB LYS A 17 -6.469 -17.187 10.677 1.00 0.00 C ATOM 268 CG LYS A 17 -6.255 -18.615 11.152 1.00 0.00 C ATOM 269 CD LYS A 17 -4.892 -18.788 11.804 1.00 0.00 C ATOM 270 CE LYS A 17 -5.006 -19.445 13.170 1.00 0.00 C ATOM 271 NZ LYS A 17 -5.504 -18.497 14.203 1.00 0.00 N ATOM 0 H LYS A 17 -7.060 -18.564 7.837 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.752 -16.023 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.687 -16.553 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.419 -16.822 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.036 -18.884 11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.344 -19.298 10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.254 -19.394 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.411 -17.815 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.680 -20.299 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.031 -19.830 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.567 -18.984 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.848 -17.694 14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.445 -18.149 13.930 1.00 0.00 H new ATOM 285 N ALA A 18 -4.844 -18.532 8.124 1.00 0.00 N ATOM 286 CA ALA A 18 -3.546 -18.938 7.585 1.00 0.00 C ATOM 287 C ALA A 18 -2.390 -18.342 8.385 1.00 0.00 C ATOM 288 O ALA A 18 -2.007 -18.874 9.429 1.00 0.00 O ATOM 289 CB ALA A 18 -3.438 -18.545 6.119 1.00 0.00 C ATOM 0 H ALA A 18 -5.556 -19.261 8.088 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.477 -20.023 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.467 -18.853 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.229 -19.036 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.541 -17.464 6.024 1.00 0.00 H new ATOM 295 N SER A 19 -1.837 -17.236 7.892 1.00 0.00 N ATOM 296 CA SER A 19 -0.724 -16.570 8.558 1.00 0.00 C ATOM 297 C SER A 19 -0.415 -15.232 7.891 1.00 0.00 C ATOM 298 O SER A 19 0.074 -15.193 6.761 1.00 0.00 O ATOM 299 CB SER A 19 0.519 -17.462 8.536 1.00 0.00 C ATOM 300 OG SER A 19 0.738 -17.998 7.242 1.00 0.00 O ATOM 0 H SER A 19 -2.144 -16.782 7.031 1.00 0.00 H new ATOM 0 HA SER A 19 -1.011 -16.384 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.390 -16.885 8.847 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.401 -18.273 9.254 1.00 0.00 H new ATOM 0 HG SER A 19 0.591 -17.300 6.570 1.00 0.00 H new ATOM 306 N PHE A 20 -0.723 -14.141 8.589 1.00 0.00 N ATOM 307 CA PHE A 20 -0.473 -12.797 8.072 1.00 0.00 C ATOM 308 C PHE A 20 1.015 -12.444 8.138 1.00 0.00 C ATOM 309 O PHE A 20 1.393 -11.397 8.665 1.00 0.00 O ATOM 310 CB PHE A 20 -1.286 -11.771 8.866 1.00 0.00 C ATOM 311 CG PHE A 20 -1.673 -10.558 8.069 1.00 0.00 C ATOM 312 CD1 PHE A 20 -2.781 -10.583 7.238 1.00 0.00 C ATOM 313 CD2 PHE A 20 -0.929 -9.392 8.154 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.141 -9.467 6.505 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.283 -8.273 7.423 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.390 -8.311 6.598 1.00 0.00 C ATOM 0 H PHE A 20 -1.147 -14.162 9.516 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.781 -12.776 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.189 -12.250 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.707 -11.455 9.734 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.371 -11.485 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.063 -9.357 8.798 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.007 -9.499 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.695 -7.370 7.497 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.668 -7.438 6.026 1.00 0.00 H new ATOM 326 N GLU A 21 1.853 -13.321 7.594 1.00 0.00 N ATOM 327 CA GLU A 21 3.295 -13.106 7.589 1.00 0.00 C ATOM 328 C GLU A 21 3.883 -13.455 6.226 1.00 0.00 C ATOM 329 O GLU A 21 4.507 -12.616 5.574 1.00 0.00 O ATOM 330 CB GLU A 21 3.963 -13.949 8.676 1.00 0.00 C ATOM 331 CG GLU A 21 4.791 -13.131 9.654 1.00 0.00 C ATOM 332 CD GLU A 21 5.325 -13.963 10.804 1.00 0.00 C ATOM 333 OE1 GLU A 21 6.163 -14.855 10.553 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.905 -13.723 11.956 1.00 0.00 O ATOM 0 H GLU A 21 1.556 -14.190 7.150 1.00 0.00 H new ATOM 0 HA GLU A 21 3.484 -12.052 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.195 -14.492 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.603 -14.694 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.626 -12.673 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.181 -12.319 10.050 1.00 0.00 H new ATOM 341 N GLU A 22 3.683 -14.699 5.805 1.00 0.00 N ATOM 342 CA GLU A 22 4.181 -15.162 4.519 1.00 0.00 C ATOM 343 C GLU A 22 3.368 -14.553 3.382 1.00 0.00 C ATOM 344 O GLU A 22 3.917 -14.157 2.353 1.00 0.00 O ATOM 345 CB GLU A 22 4.119 -16.688 4.448 1.00 0.00 C ATOM 346 CG GLU A 22 4.572 -17.377 5.725 1.00 0.00 C ATOM 347 CD GLU A 22 5.719 -18.342 5.493 1.00 0.00 C ATOM 348 OE1 GLU A 22 5.452 -19.493 5.087 1.00 0.00 O ATOM 349 OE2 GLU A 22 6.882 -17.946 5.715 1.00 0.00 O ATOM 0 H GLU A 22 3.177 -15.406 6.339 1.00 0.00 H new ATOM 0 HA GLU A 22 5.219 -14.844 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.096 -16.991 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.741 -17.030 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.877 -16.624 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.731 -17.916 6.160 1.00 0.00 H new ATOM 356 N ALA A 23 2.055 -14.480 3.580 1.00 0.00 N ATOM 357 CA ALA A 23 1.159 -13.917 2.578 1.00 0.00 C ATOM 358 C ALA A 23 1.415 -12.425 2.397 1.00 0.00 C ATOM 359 O ALA A 23 1.280 -11.891 1.295 1.00 0.00 O ATOM 360 CB ALA A 23 -0.290 -14.163 2.969 1.00 0.00 C ATOM 0 H ALA A 23 1.588 -14.805 4.427 1.00 0.00 H new ATOM 0 HA ALA A 23 1.355 -14.413 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.948 -13.737 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.469 -15.235 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.492 -13.693 3.931 1.00 0.00 H new ATOM 366 N SER A 24 1.787 -11.758 3.484 1.00 0.00 N ATOM 367 CA SER A 24 2.069 -10.330 3.443 1.00 0.00 C ATOM 368 C SER A 24 3.428 -10.075 2.805 1.00 0.00 C ATOM 369 O SER A 24 3.537 -9.336 1.825 1.00 0.00 O ATOM 370 CB SER A 24 2.037 -9.741 4.855 1.00 0.00 C ATOM 371 OG SER A 24 0.744 -9.854 5.425 1.00 0.00 O ATOM 0 H SER A 24 1.900 -12.184 4.404 1.00 0.00 H new ATOM 0 HA SER A 24 1.301 -9.845 2.840 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.762 -10.257 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.333 -8.693 4.822 1.00 0.00 H new ATOM 0 HG SER A 24 0.625 -9.160 6.106 1.00 0.00 H new ATOM 377 N ASN A 25 4.464 -10.685 3.376 1.00 0.00 N ATOM 378 CA ASN A 25 5.821 -10.539 2.858 1.00 0.00 C ATOM 379 C ASN A 25 5.861 -10.823 1.360 1.00 0.00 C ATOM 380 O ASN A 25 6.487 -10.087 0.594 1.00 0.00 O ATOM 381 CB ASN A 25 6.774 -11.484 3.594 1.00 0.00 C ATOM 382 CG ASN A 25 7.464 -10.812 4.765 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.629 -10.426 4.676 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.745 -10.671 5.873 1.00 0.00 N ATOM 0 H ASN A 25 4.389 -11.285 4.197 1.00 0.00 H new ATOM 0 HA ASN A 25 6.141 -9.510 3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.218 -12.350 3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.525 -11.854 2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.156 -10.228 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.782 -11.006 5.902 1.00 0.00 H new ATOM 391 N GLN A 26 5.188 -11.893 0.950 1.00 0.00 N ATOM 392 CA GLN A 26 5.138 -12.273 -0.457 1.00 0.00 C ATOM 393 C GLN A 26 4.443 -11.192 -1.274 1.00 0.00 C ATOM 394 O GLN A 26 4.890 -10.840 -2.366 1.00 0.00 O ATOM 395 CB GLN A 26 4.408 -13.607 -0.625 1.00 0.00 C ATOM 396 CG GLN A 26 5.318 -14.817 -0.497 1.00 0.00 C ATOM 397 CD GLN A 26 4.602 -16.119 -0.802 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.855 -16.638 0.029 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.827 -16.653 -1.996 1.00 0.00 N ATOM 0 H GLN A 26 4.669 -12.513 1.573 1.00 0.00 H new ATOM 0 HA GLN A 26 6.160 -12.385 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.618 -13.676 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.925 -13.627 -1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.164 -14.704 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.723 -14.857 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.454 -16.188 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.373 -17.528 -2.257 1.00 0.00 H new ATOM 408 N LEU A 27 3.341 -10.674 -0.740 1.00 0.00 N ATOM 409 CA LEU A 27 2.586 -9.625 -1.412 1.00 0.00 C ATOM 410 C LEU A 27 3.479 -8.422 -1.694 1.00 0.00 C ATOM 411 O LEU A 27 3.489 -7.892 -2.807 1.00 0.00 O ATOM 412 CB LEU A 27 1.387 -9.196 -0.564 1.00 0.00 C ATOM 413 CG LEU A 27 0.067 -9.061 -1.327 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.059 -8.683 -0.380 1.00 0.00 C ATOM 415 CD2 LEU A 27 0.193 -8.032 -2.441 1.00 0.00 C ATOM 0 H LEU A 27 2.952 -10.965 0.157 1.00 0.00 H new ATOM 0 HA LEU A 27 2.221 -10.023 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.252 -9.920 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.617 -8.239 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.168 -10.026 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.990 -8.591 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.168 -9.455 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.828 -7.731 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.756 -7.951 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.454 -7.064 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.972 -8.343 -3.137 1.00 0.00 H new ATOM 427 N ILE A 28 4.227 -7.993 -0.679 1.00 0.00 N ATOM 428 CA ILE A 28 5.124 -6.855 -0.832 1.00 0.00 C ATOM 429 C ILE A 28 6.214 -7.161 -1.854 1.00 0.00 C ATOM 430 O ILE A 28 6.656 -6.277 -2.589 1.00 0.00 O ATOM 431 CB ILE A 28 5.760 -6.450 0.521 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.704 -4.932 0.698 1.00 0.00 C ATOM 433 CG2 ILE A 28 7.196 -6.948 0.632 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.356 -4.428 1.161 1.00 0.00 C ATOM 0 H ILE A 28 4.229 -8.414 0.250 1.00 0.00 H new ATOM 0 HA ILE A 28 4.530 -6.015 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 28 5.184 -6.920 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.463 -4.630 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.956 -4.454 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.612 -6.647 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.211 -8.035 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.793 -6.519 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.389 -3.344 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.595 -4.699 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.110 -4.878 2.123 1.00 0.00 H new ATOM 446 N ASN A 29 6.640 -8.422 -1.893 1.00 0.00 N ATOM 447 CA ASN A 29 7.664 -8.850 -2.834 1.00 0.00 C ATOM 448 C ASN A 29 7.141 -8.721 -4.257 1.00 0.00 C ATOM 449 O ASN A 29 7.841 -8.235 -5.148 1.00 0.00 O ATOM 450 CB ASN A 29 8.076 -10.297 -2.555 1.00 0.00 C ATOM 451 CG ASN A 29 9.570 -10.513 -2.705 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.331 -10.349 -1.752 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.995 -10.883 -3.908 1.00 0.00 N ATOM 0 H ASN A 29 6.290 -9.161 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 29 8.540 -8.212 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.772 -10.570 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.545 -10.961 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.989 -11.043 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.327 -11.007 -4.669 1.00 0.00 H new ATOM 460 N HIS A 30 5.902 -9.159 -4.459 1.00 0.00 N ATOM 461 CA HIS A 30 5.269 -9.078 -5.768 1.00 0.00 C ATOM 462 C HIS A 30 5.192 -7.624 -6.212 1.00 0.00 C ATOM 463 O HIS A 30 5.496 -7.296 -7.359 1.00 0.00 O ATOM 464 CB HIS A 30 3.869 -9.691 -5.725 1.00 0.00 C ATOM 465 CG HIS A 30 3.827 -11.119 -6.174 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.550 -12.121 -5.564 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.142 -11.711 -7.181 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.313 -13.268 -6.176 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.462 -13.046 -7.161 1.00 0.00 N ATOM 0 H HIS A 30 5.318 -9.573 -3.732 1.00 0.00 H new ATOM 0 HA HIS A 30 5.868 -9.640 -6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.484 -9.627 -4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.203 -9.101 -6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.469 -11.224 -7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.742 -14.224 -5.915 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.101 -13.752 -7.803 1.00 0.00 H new ATOM 478 N ILE A 31 4.776 -6.758 -5.290 1.00 0.00 N ATOM 479 CA ILE A 31 4.677 -5.334 -5.578 1.00 0.00 C ATOM 480 C ILE A 31 6.025 -4.802 -6.047 1.00 0.00 C ATOM 481 O ILE A 31 6.116 -4.126 -7.073 1.00 0.00 O ATOM 482 CB ILE A 31 4.213 -4.532 -4.343 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.773 -4.902 -3.979 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.331 -3.036 -4.603 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.297 -4.288 -2.678 1.00 0.00 C ATOM 0 H ILE A 31 4.504 -7.019 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 31 3.933 -5.209 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 31 4.859 -4.786 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.111 -4.584 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.692 -5.987 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.000 -2.486 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.370 -2.785 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.708 -2.765 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.269 -4.594 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.935 -4.626 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.344 -3.201 -2.750 1.00 0.00 H new ATOM 497 N GLU A 32 7.071 -5.109 -5.281 1.00 0.00 N ATOM 498 CA GLU A 32 8.422 -4.678 -5.623 1.00 0.00 C ATOM 499 C GLU A 32 8.786 -5.125 -7.035 1.00 0.00 C ATOM 500 O GLU A 32 9.352 -4.357 -7.814 1.00 0.00 O ATOM 501 CB GLU A 32 9.430 -5.241 -4.620 1.00 0.00 C ATOM 502 CG GLU A 32 9.491 -4.463 -3.316 1.00 0.00 C ATOM 503 CD GLU A 32 10.547 -4.997 -2.367 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.716 -4.570 -2.479 1.00 0.00 O ATOM 505 OE2 GLU A 32 10.205 -5.843 -1.514 1.00 0.00 O ATOM 0 H GLU A 32 7.007 -5.654 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 32 8.454 -3.589 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.173 -6.278 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.420 -5.247 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.698 -3.415 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.517 -4.501 -2.828 1.00 0.00 H new ATOM 512 N GLN A 33 8.456 -6.373 -7.355 1.00 0.00 N ATOM 513 CA GLN A 33 8.737 -6.922 -8.676 1.00 0.00 C ATOM 514 C GLN A 33 8.042 -6.092 -9.747 1.00 0.00 C ATOM 515 O GLN A 33 8.633 -5.764 -10.775 1.00 0.00 O ATOM 516 CB GLN A 33 8.276 -8.377 -8.758 1.00 0.00 C ATOM 517 CG GLN A 33 9.354 -9.379 -8.377 1.00 0.00 C ATOM 518 CD GLN A 33 8.878 -10.815 -8.484 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.968 -11.234 -7.768 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.494 -11.578 -9.379 1.00 0.00 N ATOM 0 H GLN A 33 7.994 -7.022 -6.718 1.00 0.00 H new ATOM 0 HA GLN A 33 9.813 -6.888 -8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.416 -8.514 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.940 -8.586 -9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.221 -9.238 -9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.682 -9.184 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.243 -11.189 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.218 -12.553 -9.494 1.00 0.00 H new ATOM 529 N PHE A 34 6.775 -5.773 -9.504 1.00 0.00 N ATOM 530 CA PHE A 34 5.998 -4.965 -10.436 1.00 0.00 C ATOM 531 C PHE A 34 6.701 -3.640 -10.721 1.00 0.00 C ATOM 532 O PHE A 34 6.591 -3.094 -11.818 1.00 0.00 O ATOM 533 CB PHE A 34 4.598 -4.702 -9.876 1.00 0.00 C ATOM 534 CG PHE A 34 3.638 -5.837 -10.097 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.333 -6.266 -11.380 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.038 -6.474 -9.023 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.450 -7.308 -11.586 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.153 -7.517 -9.222 1.00 0.00 C ATOM 539 CZ PHE A 34 1.859 -7.934 -10.506 1.00 0.00 C ATOM 0 H PHE A 34 6.265 -6.062 -8.669 1.00 0.00 H new ATOM 0 HA PHE A 34 5.908 -5.519 -11.370 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.675 -4.505 -8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.195 -3.801 -10.338 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.791 -5.780 -12.228 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.265 -6.152 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.222 -7.633 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.692 -8.005 -8.376 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.168 -8.749 -10.665 1.00 0.00 H new ATOM 549 N LEU A 35 7.422 -3.128 -9.725 1.00 0.00 N ATOM 550 CA LEU A 35 8.144 -1.867 -9.872 1.00 0.00 C ATOM 551 C LEU A 35 9.382 -2.041 -10.747 1.00 0.00 C ATOM 552 O LEU A 35 9.930 -1.067 -11.265 1.00 0.00 O ATOM 553 CB LEU A 35 8.549 -1.325 -8.498 1.00 0.00 C ATOM 554 CG LEU A 35 7.413 -0.695 -7.691 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.679 -0.832 -6.200 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.238 0.767 -8.071 1.00 0.00 C ATOM 0 H LEU A 35 7.521 -3.567 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 35 7.479 -1.153 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.980 -2.139 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.334 -0.581 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 35 6.489 -1.224 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.861 -0.378 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.755 -1.888 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.613 -0.328 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.426 1.200 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.161 1.309 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.002 0.841 -9.132 1.00 0.00 H new ATOM 568 N ASP A 36 9.818 -3.287 -10.907 1.00 0.00 N ATOM 569 CA ASP A 36 10.992 -3.590 -11.719 1.00 0.00 C ATOM 570 C ASP A 36 10.722 -3.283 -13.189 1.00 0.00 C ATOM 571 O ASP A 36 11.629 -3.321 -14.020 1.00 0.00 O ATOM 572 CB ASP A 36 11.393 -5.056 -11.555 1.00 0.00 C ATOM 573 CG ASP A 36 12.830 -5.313 -11.967 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.061 -5.618 -13.156 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.723 -5.210 -11.101 1.00 0.00 O ATOM 0 H ASP A 36 9.376 -4.103 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 36 11.814 -2.961 -11.376 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.258 -5.352 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.729 -5.680 -12.153 1.00 0.00 H new ATOM 580 N THR A 37 9.464 -2.979 -13.497 1.00 0.00 N ATOM 581 CA THR A 37 9.058 -2.659 -14.856 1.00 0.00 C ATOM 582 C THR A 37 8.298 -1.340 -14.886 1.00 0.00 C ATOM 583 O THR A 37 7.209 -1.226 -14.324 1.00 0.00 O ATOM 584 CB THR A 37 8.172 -3.766 -15.456 1.00 0.00 C ATOM 585 OG1 THR A 37 7.777 -4.688 -14.433 1.00 0.00 O ATOM 586 CG2 THR A 37 8.910 -4.512 -16.557 1.00 0.00 C ATOM 0 H THR A 37 8.706 -2.948 -12.816 1.00 0.00 H new ATOM 0 HA THR A 37 9.965 -2.576 -15.455 1.00 0.00 H new ATOM 0 HB THR A 37 7.286 -3.298 -15.885 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.839 -4.940 -14.564 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.264 -5.289 -16.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.184 -3.814 -17.348 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.811 -4.968 -16.147 1.00 0.00 H new ATOM 594 N ASN A 38 8.888 -0.345 -15.534 1.00 0.00 N ATOM 595 CA ASN A 38 8.279 0.978 -15.636 1.00 0.00 C ATOM 596 C ASN A 38 7.158 0.998 -16.673 1.00 0.00 C ATOM 597 O ASN A 38 7.221 1.740 -17.655 1.00 0.00 O ATOM 598 CB ASN A 38 9.340 2.020 -15.993 1.00 0.00 C ATOM 599 CG ASN A 38 8.876 3.436 -15.715 1.00 0.00 C ATOM 600 OD1 ASN A 38 8.769 3.851 -14.561 1.00 0.00 O ATOM 601 ND2 ASN A 38 8.597 4.186 -16.775 1.00 0.00 N ATOM 0 H ASN A 38 9.792 -0.428 -16.000 1.00 0.00 H new ATOM 0 HA ASN A 38 7.845 1.222 -14.666 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.248 1.820 -15.424 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.598 1.926 -17.048 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.280 5.147 -16.650 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.700 3.801 -17.714 1.00 0.00 H new ATOM 608 N GLU A 39 6.134 0.181 -16.450 1.00 0.00 N ATOM 609 CA GLU A 39 4.995 0.113 -17.360 1.00 0.00 C ATOM 610 C GLU A 39 3.709 0.512 -16.643 1.00 0.00 C ATOM 611 O GLU A 39 3.503 0.164 -15.481 1.00 0.00 O ATOM 612 CB GLU A 39 4.860 -1.297 -17.936 1.00 0.00 C ATOM 613 CG GLU A 39 5.717 -1.538 -19.169 1.00 0.00 C ATOM 614 CD GLU A 39 5.115 -0.936 -20.424 1.00 0.00 C ATOM 615 OE1 GLU A 39 5.354 0.262 -20.683 1.00 0.00 O ATOM 616 OE2 GLU A 39 4.403 -1.664 -21.148 1.00 0.00 O ATOM 0 H GLU A 39 6.069 -0.444 -15.647 1.00 0.00 H new ATOM 0 HA GLU A 39 5.167 0.813 -18.177 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.132 -2.021 -17.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.815 -1.478 -18.189 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.708 -1.114 -19.007 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.848 -2.611 -19.312 1.00 0.00 H new ATOM 623 N THR A 40 2.849 1.244 -17.345 1.00 0.00 N ATOM 624 CA THR A 40 1.584 1.697 -16.774 1.00 0.00 C ATOM 625 C THR A 40 0.722 0.526 -16.290 1.00 0.00 C ATOM 626 O THR A 40 0.233 0.545 -15.160 1.00 0.00 O ATOM 627 CB THR A 40 0.778 2.538 -17.783 1.00 0.00 C ATOM 628 OG1 THR A 40 1.657 3.404 -18.513 1.00 0.00 O ATOM 629 CG2 THR A 40 -0.282 3.368 -17.073 1.00 0.00 C ATOM 0 H THR A 40 3.005 1.536 -18.310 1.00 0.00 H new ATOM 0 HA THR A 40 1.841 2.318 -15.916 1.00 0.00 H new ATOM 0 HB THR A 40 0.282 1.857 -18.474 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.137 3.934 -19.153 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.838 3.953 -17.806 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.967 2.707 -16.542 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.198 4.040 -16.362 1.00 0.00 H new ATOM 637 N PRO A 41 0.520 -0.512 -17.130 1.00 0.00 N ATOM 638 CA PRO A 41 -0.293 -1.677 -16.756 1.00 0.00 C ATOM 639 C PRO A 41 0.251 -2.398 -15.526 1.00 0.00 C ATOM 640 O PRO A 41 -0.466 -3.155 -14.872 1.00 0.00 O ATOM 641 CB PRO A 41 -0.216 -2.591 -17.985 1.00 0.00 C ATOM 642 CG PRO A 41 0.184 -1.696 -19.107 1.00 0.00 C ATOM 643 CD PRO A 41 1.056 -0.638 -18.499 1.00 0.00 C ATOM 0 HA PRO A 41 -1.309 -1.385 -16.491 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.512 -3.389 -17.838 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.176 -3.067 -18.183 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.722 -2.251 -19.876 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.690 -1.254 -19.585 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.105 -0.933 -18.496 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.991 0.302 -19.046 1.00 0.00 H new ATOM 651 N TYR A 42 1.522 -2.160 -15.220 1.00 0.00 N ATOM 652 CA TYR A 42 2.162 -2.792 -14.070 1.00 0.00 C ATOM 653 C TYR A 42 1.922 -1.990 -12.795 1.00 0.00 C ATOM 654 O TYR A 42 1.715 -2.559 -11.723 1.00 0.00 O ATOM 655 CB TYR A 42 3.665 -2.946 -14.317 1.00 0.00 C ATOM 656 CG TYR A 42 4.017 -4.144 -15.171 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.629 -4.212 -16.504 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.739 -5.208 -14.644 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.949 -5.305 -17.286 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.063 -6.304 -15.420 1.00 0.00 C ATOM 661 CZ TYR A 42 4.666 -6.348 -16.739 1.00 0.00 C ATOM 662 OH TYR A 42 4.987 -7.439 -17.514 1.00 0.00 O ATOM 0 H TYR A 42 2.129 -1.535 -15.751 1.00 0.00 H new ATOM 0 HA TYR A 42 1.718 -3.779 -13.940 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.040 -2.043 -14.799 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.176 -3.031 -13.358 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.068 -3.396 -16.936 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.052 -5.178 -13.611 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.639 -5.342 -18.320 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.625 -7.123 -14.995 1.00 0.00 H new ATOM 0 HH TYR A 42 5.494 -8.083 -16.978 1.00 0.00 H new ATOM 672 N PHE A 43 1.949 -0.665 -12.916 1.00 0.00 N ATOM 673 CA PHE A 43 1.732 0.210 -11.768 1.00 0.00 C ATOM 674 C PHE A 43 0.292 0.110 -11.276 1.00 0.00 C ATOM 675 O PHE A 43 0.002 0.386 -10.111 1.00 0.00 O ATOM 676 CB PHE A 43 2.065 1.657 -12.131 1.00 0.00 C ATOM 677 CG PHE A 43 3.532 1.973 -12.048 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.160 2.084 -10.818 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.281 2.157 -13.198 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.509 2.373 -10.738 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.631 2.446 -13.124 1.00 0.00 C ATOM 682 CZ PHE A 43 6.245 2.554 -11.893 1.00 0.00 C ATOM 0 H PHE A 43 2.118 -0.175 -13.795 1.00 0.00 H new ATOM 0 HA PHE A 43 2.394 -0.113 -10.964 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.714 1.859 -13.143 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.519 2.325 -11.465 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.589 1.943 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.805 2.074 -14.164 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.987 2.457 -9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.204 2.587 -14.028 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.299 2.780 -11.833 1.00 0.00 H new ATOM 692 N MET A 44 -0.607 -0.288 -12.171 1.00 0.00 N ATOM 693 CA MET A 44 -2.016 -0.429 -11.825 1.00 0.00 C ATOM 694 C MET A 44 -2.217 -1.611 -10.884 1.00 0.00 C ATOM 695 O MET A 44 -3.125 -1.611 -10.051 1.00 0.00 O ATOM 696 CB MET A 44 -2.859 -0.618 -13.089 1.00 0.00 C ATOM 697 CG MET A 44 -2.951 0.631 -13.950 1.00 0.00 C ATOM 698 SD MET A 44 -3.853 0.351 -15.485 1.00 0.00 S ATOM 699 CE MET A 44 -3.941 2.018 -16.135 1.00 0.00 C ATOM 0 H MET A 44 -0.385 -0.518 -13.140 1.00 0.00 H new ATOM 0 HA MET A 44 -2.338 0.481 -11.319 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.434 -1.428 -13.682 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.864 -0.927 -12.803 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.442 1.423 -13.384 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.946 0.982 -14.183 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.941 2.203 -16.528 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.727 2.731 -15.339 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.209 2.136 -16.934 1.00 0.00 H new ATOM 709 N LYS A 45 -1.358 -2.617 -11.026 1.00 0.00 N ATOM 710 CA LYS A 45 -1.428 -3.809 -10.191 1.00 0.00 C ATOM 711 C LYS A 45 -0.875 -3.524 -8.799 1.00 0.00 C ATOM 712 O LYS A 45 -1.304 -4.129 -7.813 1.00 0.00 O ATOM 713 CB LYS A 45 -0.649 -4.955 -10.840 1.00 0.00 C ATOM 714 CG LYS A 45 -1.320 -6.310 -10.685 1.00 0.00 C ATOM 715 CD LYS A 45 -1.300 -7.094 -11.988 1.00 0.00 C ATOM 716 CE LYS A 45 -2.086 -8.389 -11.872 1.00 0.00 C ATOM 717 NZ LYS A 45 -1.709 -9.365 -12.932 1.00 0.00 N ATOM 0 H LYS A 45 -0.604 -2.629 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.474 -4.100 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.521 -4.741 -11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.348 -5.000 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.813 -6.881 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.351 -6.172 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.719 -6.483 -12.788 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.269 -7.316 -12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.912 -8.833 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.152 -8.174 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.268 -10.235 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.899 -8.952 -13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.697 -9.591 -12.852 1.00 0.00 H new ATOM 731 N SER A 46 0.074 -2.594 -8.721 1.00 0.00 N ATOM 732 CA SER A 46 0.679 -2.227 -7.448 1.00 0.00 C ATOM 733 C SER A 46 -0.339 -1.514 -6.566 1.00 0.00 C ATOM 734 O SER A 46 -0.535 -1.878 -5.407 1.00 0.00 O ATOM 735 CB SER A 46 1.899 -1.331 -7.674 1.00 0.00 C ATOM 736 OG SER A 46 2.734 -1.856 -8.692 1.00 0.00 O ATOM 0 H SER A 46 0.439 -2.083 -9.525 1.00 0.00 H new ATOM 0 HA SER A 46 1.004 -3.137 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.572 -0.328 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.464 -1.240 -6.746 1.00 0.00 H new ATOM 0 HG SER A 46 3.506 -1.265 -8.819 1.00 0.00 H new ATOM 742 N ILE A 47 -0.978 -0.489 -7.121 1.00 0.00 N ATOM 743 CA ILE A 47 -1.992 0.258 -6.391 1.00 0.00 C ATOM 744 C ILE A 47 -3.112 -0.673 -5.949 1.00 0.00 C ATOM 745 O ILE A 47 -3.619 -0.569 -4.831 1.00 0.00 O ATOM 746 CB ILE A 47 -2.588 1.394 -7.246 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.472 2.263 -7.828 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.543 2.238 -6.415 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.736 2.711 -9.248 1.00 0.00 C ATOM 0 H ILE A 47 -0.811 -0.159 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.508 0.699 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.147 0.952 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.340 3.142 -7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.536 1.706 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.955 3.036 -7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.353 1.611 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.005 2.673 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.904 3.323 -9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.839 1.838 -9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.655 3.296 -9.280 1.00 0.00 H new ATOM 761 N ASP A 48 -3.495 -1.587 -6.840 1.00 0.00 N ATOM 762 CA ASP A 48 -4.545 -2.552 -6.538 1.00 0.00 C ATOM 763 C ASP A 48 -4.103 -3.466 -5.401 1.00 0.00 C ATOM 764 O ASP A 48 -4.928 -4.038 -4.688 1.00 0.00 O ATOM 765 CB ASP A 48 -4.883 -3.381 -7.779 1.00 0.00 C ATOM 766 CG ASP A 48 -6.377 -3.510 -7.997 1.00 0.00 C ATOM 767 OD1 ASP A 48 -6.970 -2.595 -8.607 1.00 0.00 O ATOM 768 OD2 ASP A 48 -6.956 -4.527 -7.558 1.00 0.00 O ATOM 0 H ASP A 48 -3.094 -1.677 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.439 -2.009 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.429 -2.919 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.446 -4.374 -7.679 1.00 0.00 H new ATOM 773 N CYS A 49 -2.789 -3.593 -5.243 1.00 0.00 N ATOM 774 CA CYS A 49 -2.221 -4.424 -4.191 1.00 0.00 C ATOM 775 C CYS A 49 -2.244 -3.675 -2.864 1.00 0.00 C ATOM 776 O CYS A 49 -2.502 -4.260 -1.810 1.00 0.00 O ATOM 777 CB CYS A 49 -0.788 -4.828 -4.542 1.00 0.00 C ATOM 778 SG CYS A 49 -0.670 -6.341 -5.524 1.00 0.00 S ATOM 0 H CYS A 49 -2.098 -3.129 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.823 -5.328 -4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.316 -4.013 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.223 -4.961 -3.620 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.851 -6.058 -6.780 1.00 0.00 H new ATOM 784 N ILE A 50 -1.967 -2.375 -2.924 1.00 0.00 N ATOM 785 CA ILE A 50 -1.969 -1.538 -1.732 1.00 0.00 C ATOM 786 C ILE A 50 -3.397 -1.289 -1.254 1.00 0.00 C ATOM 787 O ILE A 50 -3.632 -1.026 -0.074 1.00 0.00 O ATOM 788 CB ILE A 50 -1.260 -0.187 -1.998 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.297 0.147 -0.858 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.268 0.939 -2.191 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.857 1.030 -1.283 1.00 0.00 C ATOM 0 H ILE A 50 -1.739 -1.880 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.421 -2.068 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.688 -0.286 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.849 0.643 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.099 -0.780 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.738 1.874 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.910 0.711 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.878 1.039 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.500 1.227 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.433 0.527 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.470 1.973 -1.670 1.00 0.00 H new ATOM 803 N ARG A 51 -4.346 -1.375 -2.184 1.00 0.00 N ATOM 804 CA ARG A 51 -5.755 -1.164 -1.867 1.00 0.00 C ATOM 805 C ARG A 51 -6.347 -2.401 -1.201 1.00 0.00 C ATOM 806 O ARG A 51 -7.254 -2.301 -0.373 1.00 0.00 O ATOM 807 CB ARG A 51 -6.542 -0.827 -3.136 1.00 0.00 C ATOM 808 CG ARG A 51 -6.475 0.642 -3.519 1.00 0.00 C ATOM 809 CD ARG A 51 -7.744 1.378 -3.125 1.00 0.00 C ATOM 810 NE ARG A 51 -7.640 1.976 -1.797 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.511 1.754 -0.817 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.546 0.949 -1.013 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.345 2.336 0.363 1.00 0.00 N ATOM 0 H ARG A 51 -4.163 -1.590 -3.164 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.827 -0.326 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.159 -1.427 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.585 -1.110 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.617 1.107 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.320 0.732 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.954 2.157 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.586 0.686 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.855 2.599 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.676 0.497 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.212 0.781 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.549 2.954 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.013 2.165 1.114 1.00 0.00 H new ATOM 827 N ALA A 52 -5.819 -3.565 -1.563 1.00 0.00 N ATOM 828 CA ALA A 52 -6.286 -4.823 -0.999 1.00 0.00 C ATOM 829 C ALA A 52 -5.651 -5.052 0.365 1.00 0.00 C ATOM 830 O ALA A 52 -6.279 -5.594 1.276 1.00 0.00 O ATOM 831 CB ALA A 52 -5.970 -5.977 -1.937 1.00 0.00 C ATOM 0 H ALA A 52 -5.067 -3.662 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.368 -4.771 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.326 -6.910 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.464 -5.813 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.893 -6.037 -2.091 1.00 0.00 H new ATOM 837 N PHE A 53 -4.396 -4.634 0.493 1.00 0.00 N ATOM 838 CA PHE A 53 -3.662 -4.776 1.742 1.00 0.00 C ATOM 839 C PHE A 53 -4.162 -3.772 2.776 1.00 0.00 C ATOM 840 O PHE A 53 -4.430 -4.131 3.923 1.00 0.00 O ATOM 841 CB PHE A 53 -2.164 -4.574 1.501 1.00 0.00 C ATOM 842 CG PHE A 53 -1.286 -5.348 2.447 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.438 -5.225 3.820 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.304 -6.197 1.960 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.629 -5.934 4.687 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.507 -6.908 2.823 1.00 0.00 C ATOM 847 CZ PHE A 53 0.344 -6.776 4.189 1.00 0.00 C ATOM 0 H PHE A 53 -3.865 -4.192 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.828 -5.783 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.927 -4.868 0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.931 -3.513 1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.198 -4.567 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.172 -6.304 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.758 -5.829 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.268 -7.566 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.977 -7.331 4.865 1.00 0.00 H new ATOM 857 N ARG A 54 -4.274 -2.510 2.365 1.00 0.00 N ATOM 858 CA ARG A 54 -4.746 -1.453 3.256 1.00 0.00 C ATOM 859 C ARG A 54 -6.080 -1.820 3.892 1.00 0.00 C ATOM 860 O ARG A 54 -6.296 -1.590 5.080 1.00 0.00 O ATOM 861 CB ARG A 54 -4.888 -0.133 2.495 1.00 0.00 C ATOM 862 CG ARG A 54 -3.619 0.702 2.476 1.00 0.00 C ATOM 863 CD ARG A 54 -3.880 2.101 1.944 1.00 0.00 C ATOM 864 NE ARG A 54 -2.672 2.712 1.395 1.00 0.00 N ATOM 865 CZ ARG A 54 -2.521 4.023 1.224 1.00 0.00 C ATOM 866 NH1 ARG A 54 -3.498 4.857 1.554 1.00 0.00 N ATOM 867 NH2 ARG A 54 -1.391 4.501 0.721 1.00 0.00 N ATOM 0 H ARG A 54 -4.045 -2.195 1.422 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.005 -1.336 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.187 -0.346 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.690 0.451 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.209 0.766 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.868 0.211 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.648 2.058 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.270 2.727 2.746 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.901 2.100 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.369 4.494 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.378 5.861 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.637 3.864 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.276 5.506 0.590 1.00 0.00 H new ATOM 881 N GLU A 55 -6.974 -2.392 3.096 1.00 0.00 N ATOM 882 CA GLU A 55 -8.291 -2.782 3.584 1.00 0.00 C ATOM 883 C GLU A 55 -8.196 -3.923 4.594 1.00 0.00 C ATOM 884 O GLU A 55 -8.769 -3.849 5.681 1.00 0.00 O ATOM 885 CB GLU A 55 -9.186 -3.197 2.415 1.00 0.00 C ATOM 886 CG GLU A 55 -10.633 -2.759 2.571 1.00 0.00 C ATOM 887 CD GLU A 55 -11.488 -3.134 1.377 1.00 0.00 C ATOM 888 OE1 GLU A 55 -12.026 -4.261 1.363 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.618 -2.303 0.455 1.00 0.00 O ATOM 0 H GLU A 55 -6.812 -2.596 2.110 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.728 -1.919 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.785 -2.775 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.153 -4.281 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.051 -3.213 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.668 -1.679 2.714 1.00 0.00 H new ATOM 896 N GLU A 56 -7.460 -4.968 4.234 1.00 0.00 N ATOM 897 CA GLU A 56 -7.307 -6.136 5.099 1.00 0.00 C ATOM 898 C GLU A 56 -6.550 -5.805 6.383 1.00 0.00 C ATOM 899 O GLU A 56 -6.792 -6.413 7.429 1.00 0.00 O ATOM 900 CB GLU A 56 -6.581 -7.252 4.349 1.00 0.00 C ATOM 901 CG GLU A 56 -7.467 -8.003 3.369 1.00 0.00 C ATOM 902 CD GLU A 56 -7.922 -9.348 3.905 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.233 -9.899 4.789 1.00 0.00 O ATOM 904 OE2 GLU A 56 -8.967 -9.849 3.440 1.00 0.00 O ATOM 0 H GLU A 56 -6.958 -5.032 3.348 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.308 -6.466 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.736 -6.825 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.173 -7.958 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.341 -7.395 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.924 -8.153 2.436 1.00 0.00 H new ATOM 911 N ALA A 57 -5.643 -4.838 6.307 1.00 0.00 N ATOM 912 CA ALA A 57 -4.841 -4.452 7.464 1.00 0.00 C ATOM 913 C ALA A 57 -5.555 -3.419 8.332 1.00 0.00 C ATOM 914 O ALA A 57 -5.775 -3.642 9.524 1.00 0.00 O ATOM 915 CB ALA A 57 -3.493 -3.913 7.008 1.00 0.00 C ATOM 0 H ALA A 57 -5.444 -4.307 5.459 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.688 -5.343 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.902 -3.628 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.964 -4.683 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.646 -3.041 6.372 1.00 0.00 H new ATOM 921 N ILE A 58 -5.913 -2.292 7.726 1.00 0.00 N ATOM 922 CA ILE A 58 -6.588 -1.218 8.449 1.00 0.00 C ATOM 923 C ILE A 58 -7.850 -1.723 9.137 1.00 0.00 C ATOM 924 O ILE A 58 -8.118 -1.379 10.288 1.00 0.00 O ATOM 925 CB ILE A 58 -6.954 -0.046 7.516 1.00 0.00 C ATOM 926 CG1 ILE A 58 -5.687 0.616 6.972 1.00 0.00 C ATOM 927 CG2 ILE A 58 -7.813 0.974 8.251 1.00 0.00 C ATOM 928 CD1 ILE A 58 -5.923 1.425 5.714 1.00 0.00 C ATOM 0 H ILE A 58 -5.748 -2.098 6.738 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.887 -0.861 9.203 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.529 -0.439 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.268 1.266 7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.944 -0.154 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.061 1.794 7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.730 0.497 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.263 1.363 9.108 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.983 1.866 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.314 0.775 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.643 2.217 5.921 1.00 0.00 H new ATOM 940 N LYS A 59 -8.627 -2.537 8.426 1.00 0.00 N ATOM 941 CA LYS A 59 -9.858 -3.085 8.978 1.00 0.00 C ATOM 942 C LYS A 59 -9.611 -3.713 10.342 1.00 0.00 C ATOM 943 O LYS A 59 -10.318 -3.415 11.305 1.00 0.00 O ATOM 944 CB LYS A 59 -10.463 -4.126 8.035 1.00 0.00 C ATOM 945 CG LYS A 59 -11.490 -3.552 7.071 1.00 0.00 C ATOM 946 CD LYS A 59 -12.903 -3.953 7.462 1.00 0.00 C ATOM 947 CE LYS A 59 -13.942 -3.175 6.671 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.161 -3.754 5.317 1.00 0.00 N ATOM 0 H LYS A 59 -8.425 -2.829 7.470 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.562 -2.261 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.662 -4.594 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.933 -4.911 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.410 -2.465 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.278 -3.901 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.039 -5.021 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.050 -3.779 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.884 -3.168 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.622 -2.138 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.877 -3.194 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.268 -3.738 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.491 -4.736 5.409 1.00 0.00 H new ATOM 962 N PHE A 60 -8.601 -4.582 10.425 1.00 0.00 N ATOM 963 CA PHE A 60 -8.284 -5.249 11.686 1.00 0.00 C ATOM 964 C PHE A 60 -7.025 -6.102 11.572 1.00 0.00 C ATOM 965 O PHE A 60 -7.100 -7.308 11.339 1.00 0.00 O ATOM 966 CB PHE A 60 -9.462 -6.117 12.152 1.00 0.00 C ATOM 967 CG PHE A 60 -10.308 -6.665 11.031 1.00 0.00 C ATOM 968 CD1 PHE A 60 -9.768 -7.515 10.076 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.650 -6.328 10.938 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.550 -8.014 9.052 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.435 -6.826 9.916 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.884 -7.670 8.972 1.00 0.00 C ATOM 0 H PHE A 60 -7.997 -4.837 9.644 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.099 -4.470 12.426 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.075 -6.949 12.740 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.095 -5.526 12.814 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.725 -7.789 10.134 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.087 -5.668 11.673 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.117 -8.673 8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.479 -6.555 9.855 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.496 -8.060 8.172 1.00 0.00 H new ATOM 982 N SER A 61 -5.867 -5.474 11.749 1.00 0.00 N ATOM 983 CA SER A 61 -4.604 -6.192 11.670 1.00 0.00 C ATOM 984 C SER A 61 -3.440 -5.334 12.150 1.00 0.00 C ATOM 985 O SER A 61 -3.195 -5.222 13.352 1.00 0.00 O ATOM 986 CB SER A 61 -4.353 -6.679 10.241 1.00 0.00 C ATOM 987 OG SER A 61 -3.431 -7.756 10.223 1.00 0.00 O ATOM 0 H SER A 61 -5.779 -4.477 11.946 1.00 0.00 H new ATOM 0 HA SER A 61 -4.674 -7.056 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.294 -6.994 9.790 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.969 -5.858 9.636 1.00 0.00 H new ATOM 0 HG SER A 61 -2.941 -7.753 9.374 1.00 0.00 H new ATOM 993 N GLU A 62 -2.727 -4.726 11.211 1.00 0.00 N ATOM 994 CA GLU A 62 -1.580 -3.894 11.550 1.00 0.00 C ATOM 995 C GLU A 62 -1.614 -2.579 10.786 1.00 0.00 C ATOM 996 O GLU A 62 -0.746 -2.304 9.958 1.00 0.00 O ATOM 997 CB GLU A 62 -0.279 -4.642 11.258 1.00 0.00 C ATOM 998 CG GLU A 62 0.004 -5.773 12.232 1.00 0.00 C ATOM 999 CD GLU A 62 1.194 -5.486 13.127 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.159 -4.471 13.854 1.00 0.00 O ATOM 1001 OE2 GLU A 62 2.161 -6.276 13.100 1.00 0.00 O ATOM 0 H GLU A 62 -2.922 -4.793 10.212 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.628 -3.669 12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.321 -5.047 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.550 -3.935 11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.878 -5.945 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.187 -6.691 11.674 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.630 -1.776 11.066 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.785 -0.478 10.414 1.00 0.00 C ATOM 1010 C GLU A 63 -1.523 0.375 10.566 1.00 0.00 C ATOM 1011 O GLU A 63 -1.167 1.135 9.664 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.990 0.265 10.997 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.992 0.322 12.516 1.00 0.00 C ATOM 1014 CD GLU A 63 -5.107 -0.503 13.129 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -6.285 -0.239 12.810 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.802 -1.413 13.928 1.00 0.00 O ATOM 0 H GLU A 63 -3.362 -1.998 11.741 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.950 -0.655 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.005 1.281 10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.905 -0.221 10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.033 -0.035 12.891 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.094 1.359 12.837 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.850 0.239 11.706 1.00 0.00 N ATOM 1024 CA GLN A 64 0.365 1.007 11.978 1.00 0.00 C ATOM 1025 C GLN A 64 1.539 0.518 11.132 1.00 0.00 C ATOM 1026 O GLN A 64 2.495 1.260 10.892 1.00 0.00 O ATOM 1027 CB GLN A 64 0.729 0.921 13.462 1.00 0.00 C ATOM 1028 CG GLN A 64 -0.276 1.600 14.377 1.00 0.00 C ATOM 1029 CD GLN A 64 -0.013 1.315 15.843 1.00 0.00 C ATOM 1030 OE1 GLN A 64 -0.456 0.300 16.379 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.713 2.213 16.500 1.00 0.00 N ATOM 0 H GLN A 64 -1.124 -0.395 12.457 1.00 0.00 H new ATOM 0 HA GLN A 64 0.162 2.045 11.713 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.815 -0.128 13.746 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.709 1.374 13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.246 2.676 14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.281 1.265 14.120 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.060 3.041 16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.923 2.075 17.489 1.00 0.00 H new ATOM 1040 N ARG A 65 1.469 -0.729 10.681 1.00 0.00 N ATOM 1041 CA ARG A 65 2.530 -1.292 9.859 1.00 0.00 C ATOM 1042 C ARG A 65 2.476 -0.690 8.462 1.00 0.00 C ATOM 1043 O ARG A 65 3.447 -0.748 7.704 1.00 0.00 O ATOM 1044 CB ARG A 65 2.420 -2.820 9.798 1.00 0.00 C ATOM 1045 CG ARG A 65 1.798 -3.355 8.514 1.00 0.00 C ATOM 1046 CD ARG A 65 1.830 -4.874 8.474 1.00 0.00 C ATOM 1047 NE ARG A 65 3.044 -5.379 7.837 1.00 0.00 N ATOM 1048 CZ ARG A 65 3.763 -6.389 8.314 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.393 -7.003 9.431 1.00 0.00 N ATOM 1050 NH2 ARG A 65 4.855 -6.790 7.676 1.00 0.00 N ATOM 0 H ARG A 65 0.694 -1.365 10.870 1.00 0.00 H new ATOM 0 HA ARG A 65 3.491 -1.046 10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.416 -3.249 9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.827 -3.164 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.767 -3.009 8.435 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.335 -2.955 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.764 -5.265 9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.957 -5.241 7.934 1.00 0.00 H new ATOM 0 HE ARG A 65 3.358 -4.930 6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.554 -6.700 9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.947 -7.778 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.144 -6.322 6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.405 -7.566 8.045 1.00 0.00 H new ATOM 1064 N PHE A 66 1.331 -0.095 8.138 1.00 0.00 N ATOM 1065 CA PHE A 66 1.138 0.525 6.837 1.00 0.00 C ATOM 1066 C PHE A 66 1.612 1.969 6.869 1.00 0.00 C ATOM 1067 O PHE A 66 2.311 2.414 5.962 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.326 0.454 6.405 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.496 -0.111 5.023 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.115 0.492 3.935 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.253 -1.252 4.815 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.028 -0.030 2.665 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.396 -1.780 3.546 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.784 -1.169 2.470 1.00 0.00 C ATOM 0 H PHE A 66 0.525 -0.031 8.760 1.00 0.00 H new ATOM 0 HA PHE A 66 1.731 -0.026 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.881 -0.160 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.760 1.453 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.710 1.381 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.736 -1.734 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.451 0.452 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.987 -2.671 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.896 -1.581 1.478 1.00 0.00 H new ATOM 1084 N ASN A 67 1.237 2.694 7.924 1.00 0.00 N ATOM 1085 CA ASN A 67 1.653 4.084 8.064 1.00 0.00 C ATOM 1086 C ASN A 67 3.141 4.122 8.375 1.00 0.00 C ATOM 1087 O ASN A 67 3.816 5.132 8.166 1.00 0.00 O ATOM 1088 CB ASN A 67 0.860 4.810 9.158 1.00 0.00 C ATOM 1089 CG ASN A 67 0.452 3.919 10.303 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.283 3.543 11.127 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.835 3.600 10.374 1.00 0.00 N ATOM 0 H ASN A 67 0.653 2.344 8.684 1.00 0.00 H new ATOM 0 HA ASN A 67 1.452 4.603 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.462 5.632 9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.034 5.250 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.174 3.017 11.139 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.484 3.938 9.664 1.00 0.00 H new ATOM 1098 N ASN A 68 3.639 2.996 8.875 1.00 0.00 N ATOM 1099 CA ASN A 68 5.052 2.869 9.194 1.00 0.00 C ATOM 1100 C ASN A 68 5.854 2.852 7.900 1.00 0.00 C ATOM 1101 O ASN A 68 6.733 3.690 7.683 1.00 0.00 O ATOM 1102 CB ASN A 68 5.314 1.592 9.997 1.00 0.00 C ATOM 1103 CG ASN A 68 6.792 1.355 10.242 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.412 2.027 11.066 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.363 0.395 9.524 1.00 0.00 N ATOM 0 H ASN A 68 3.085 2.161 9.067 1.00 0.00 H new ATOM 0 HA ASN A 68 5.359 3.718 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.796 1.655 10.954 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.896 0.739 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.355 0.189 9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.810 -0.137 8.852 1.00 0.00 H new ATOM 1112 N PHE A 69 5.540 1.885 7.042 1.00 0.00 N ATOM 1113 CA PHE A 69 6.207 1.766 5.749 1.00 0.00 C ATOM 1114 C PHE A 69 5.821 2.921 4.827 1.00 0.00 C ATOM 1115 O PHE A 69 6.576 3.284 3.927 1.00 0.00 O ATOM 1116 CB PHE A 69 5.854 0.431 5.090 1.00 0.00 C ATOM 1117 CG PHE A 69 6.945 -0.104 4.205 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.954 -0.897 4.729 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.960 0.187 2.850 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.958 -1.390 3.916 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.962 -0.303 2.034 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.963 -1.092 2.567 1.00 0.00 C ATOM 0 H PHE A 69 4.830 1.174 7.218 1.00 0.00 H new ATOM 0 HA PHE A 69 7.283 1.806 5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.634 -0.302 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.945 0.554 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.956 -1.132 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.180 0.803 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.738 -2.008 4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.963 -0.069 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.747 -1.475 1.931 1.00 0.00 H new ATOM 1132 N LEU A 70 4.639 3.488 5.057 1.00 0.00 N ATOM 1133 CA LEU A 70 4.162 4.609 4.249 1.00 0.00 C ATOM 1134 C LEU A 70 5.033 5.836 4.476 1.00 0.00 C ATOM 1135 O LEU A 70 5.451 6.498 3.527 1.00 0.00 O ATOM 1136 CB LEU A 70 2.703 4.949 4.577 1.00 0.00 C ATOM 1137 CG LEU A 70 1.686 4.627 3.474 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.319 5.189 3.832 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.149 5.179 2.132 1.00 0.00 C ATOM 0 H LEU A 70 3.997 3.192 5.792 1.00 0.00 H new ATOM 0 HA LEU A 70 4.222 4.311 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.417 4.410 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.639 6.013 4.807 1.00 0.00 H new ATOM 0 HG LEU A 70 1.608 3.543 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.391 4.952 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.022 4.748 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.389 6.271 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.412 4.938 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.259 6.261 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.107 4.733 1.866 1.00 0.00 H new ATOM 1151 N LYS A 71 5.292 6.140 5.744 1.00 0.00 N ATOM 1152 CA LYS A 71 6.117 7.285 6.101 1.00 0.00 C ATOM 1153 C LYS A 71 7.504 7.168 5.480 1.00 0.00 C ATOM 1154 O LYS A 71 8.060 8.154 4.991 1.00 0.00 O ATOM 1155 CB LYS A 71 6.234 7.404 7.622 1.00 0.00 C ATOM 1156 CG LYS A 71 5.008 8.015 8.282 1.00 0.00 C ATOM 1157 CD LYS A 71 5.139 8.033 9.796 1.00 0.00 C ATOM 1158 CE LYS A 71 4.034 8.854 10.442 1.00 0.00 C ATOM 1159 NZ LYS A 71 4.225 8.983 11.913 1.00 0.00 N ATOM 0 H LYS A 71 4.941 5.608 6.541 1.00 0.00 H new ATOM 0 HA LYS A 71 5.637 8.183 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.407 6.414 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.107 8.010 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.866 9.032 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.121 7.448 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.105 7.012 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.109 8.445 10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.008 9.846 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.070 8.387 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.451 9.549 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.224 8.038 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.133 9.452 12.105 1.00 0.00 H new ATOM 1173 N ALA A 72 8.056 5.959 5.494 1.00 0.00 N ATOM 1174 CA ALA A 72 9.383 5.723 4.929 1.00 0.00 C ATOM 1175 C ALA A 72 9.344 5.729 3.404 1.00 0.00 C ATOM 1176 O ALA A 72 10.191 6.337 2.750 1.00 0.00 O ATOM 1177 CB ALA A 72 9.946 4.404 5.439 1.00 0.00 C ATOM 0 H ALA A 72 7.609 5.131 5.888 1.00 0.00 H new ATOM 0 HA ALA A 72 10.036 6.535 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.935 4.240 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.023 4.437 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.284 3.589 5.146 1.00 0.00 H new ATOM 1183 N LEU A 73 8.356 5.038 2.846 1.00 0.00 N ATOM 1184 CA LEU A 73 8.193 4.954 1.400 1.00 0.00 C ATOM 1185 C LEU A 73 8.048 6.342 0.784 1.00 0.00 C ATOM 1186 O LEU A 73 8.760 6.689 -0.156 1.00 0.00 O ATOM 1187 CB LEU A 73 6.968 4.099 1.058 1.00 0.00 C ATOM 1188 CG LEU A 73 6.507 4.164 -0.400 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.394 3.297 -1.279 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.053 3.729 -0.516 1.00 0.00 C ATOM 0 H LEU A 73 7.652 4.525 3.377 1.00 0.00 H new ATOM 0 HA LEU A 73 9.085 4.487 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.191 3.061 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.141 4.408 1.697 1.00 0.00 H new ATOM 0 HG LEU A 73 6.588 5.196 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.051 3.356 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.423 3.650 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.344 2.263 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.740 3.781 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.950 2.705 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.427 4.389 0.084 1.00 0.00 H new ATOM 1202 N GLN A 74 7.126 7.128 1.325 1.00 0.00 N ATOM 1203 CA GLN A 74 6.877 8.478 0.829 1.00 0.00 C ATOM 1204 C GLN A 74 8.170 9.281 0.732 1.00 0.00 C ATOM 1205 O GLN A 74 8.473 9.867 -0.311 1.00 0.00 O ATOM 1206 CB GLN A 74 5.884 9.200 1.743 1.00 0.00 C ATOM 1207 CG GLN A 74 5.550 10.611 1.286 1.00 0.00 C ATOM 1208 CD GLN A 74 6.324 11.671 2.046 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.869 11.410 3.119 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.375 12.876 1.492 1.00 0.00 N ATOM 0 H GLN A 74 6.536 6.854 2.110 1.00 0.00 H new ATOM 0 HA GLN A 74 6.453 8.394 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.964 8.618 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.296 9.242 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.764 10.704 0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.482 10.786 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.909 13.048 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.881 13.630 1.957 1.00 0.00 H new ATOM 1219 N GLU A 75 8.933 9.298 1.819 1.00 0.00 N ATOM 1220 CA GLU A 75 10.191 10.037 1.857 1.00 0.00 C ATOM 1221 C GLU A 75 11.196 9.463 0.862 1.00 0.00 C ATOM 1222 O GLU A 75 11.860 10.206 0.134 1.00 0.00 O ATOM 1223 CB GLU A 75 10.781 10.006 3.267 1.00 0.00 C ATOM 1224 CG GLU A 75 10.148 11.013 4.213 1.00 0.00 C ATOM 1225 CD GLU A 75 10.643 10.865 5.639 1.00 0.00 C ATOM 1226 OE1 GLU A 75 10.072 10.040 6.383 1.00 0.00 O ATOM 1227 OE2 GLU A 75 11.603 11.573 6.011 1.00 0.00 O ATOM 0 H GLU A 75 8.704 8.810 2.685 1.00 0.00 H new ATOM 0 HA GLU A 75 9.982 11.070 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.660 9.005 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.852 10.199 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.363 12.022 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.065 10.893 4.194 1.00 0.00 H new ATOM 1234 N LYS A 76 11.297 8.138 0.834 1.00 0.00 N ATOM 1235 CA LYS A 76 12.224 7.454 -0.061 1.00 0.00 C ATOM 1236 C LYS A 76 11.941 7.799 -1.520 1.00 0.00 C ATOM 1237 O LYS A 76 12.831 8.252 -2.244 1.00 0.00 O ATOM 1238 CB LYS A 76 12.134 5.941 0.143 1.00 0.00 C ATOM 1239 CG LYS A 76 13.062 5.416 1.225 1.00 0.00 C ATOM 1240 CD LYS A 76 13.062 3.897 1.272 1.00 0.00 C ATOM 1241 CE LYS A 76 13.894 3.375 2.432 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.844 1.890 2.529 1.00 0.00 N ATOM 0 H LYS A 76 10.746 7.514 1.423 1.00 0.00 H new ATOM 0 HA LYS A 76 13.232 7.791 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.107 5.678 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.367 5.442 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.075 5.775 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.753 5.811 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.038 3.535 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.455 3.503 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.928 3.696 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.533 3.812 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.424 1.575 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.860 1.584 2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.213 1.472 1.651 1.00 0.00 H new ATOM 1256 N VAL A 77 10.698 7.588 -1.948 1.00 0.00 N ATOM 1257 CA VAL A 77 10.317 7.873 -3.327 1.00 0.00 C ATOM 1258 C VAL A 77 10.358 9.371 -3.600 1.00 0.00 C ATOM 1259 O VAL A 77 10.572 9.800 -4.735 1.00 0.00 O ATOM 1260 CB VAL A 77 8.916 7.318 -3.675 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.661 6.005 -2.955 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.825 8.328 -3.348 1.00 0.00 C ATOM 0 H VAL A 77 9.945 7.224 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 77 11.044 7.368 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 77 8.891 7.132 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.670 5.634 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.412 5.274 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.718 6.164 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.852 7.908 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.851 8.560 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.989 9.240 -3.922 1.00 0.00 H new ATOM 1272 N GLU A 78 10.148 10.163 -2.552 1.00 0.00 N ATOM 1273 CA GLU A 78 10.178 11.611 -2.679 1.00 0.00 C ATOM 1274 C GLU A 78 11.519 12.052 -3.243 1.00 0.00 C ATOM 1275 O GLU A 78 11.581 12.807 -4.214 1.00 0.00 O ATOM 1276 CB GLU A 78 9.935 12.278 -1.324 1.00 0.00 C ATOM 1277 CG GLU A 78 8.585 12.970 -1.219 1.00 0.00 C ATOM 1278 CD GLU A 78 8.603 14.137 -0.253 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.021 13.942 0.908 1.00 0.00 O ATOM 1280 OE2 GLU A 78 8.197 15.248 -0.657 1.00 0.00 O ATOM 0 H GLU A 78 9.956 9.824 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 78 9.383 11.916 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.010 11.525 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.723 13.008 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.284 13.324 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.835 12.248 -0.897 1.00 0.00 H new ATOM 1287 N ILE A 79 12.592 11.571 -2.625 1.00 0.00 N ATOM 1288 CA ILE A 79 13.940 11.905 -3.072 1.00 0.00 C ATOM 1289 C ILE A 79 14.196 11.362 -4.476 1.00 0.00 C ATOM 1290 O ILE A 79 14.079 12.088 -5.463 1.00 0.00 O ATOM 1291 CB ILE A 79 15.011 11.354 -2.111 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.782 11.888 -0.696 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.406 11.719 -2.600 1.00 0.00 C ATOM 1294 CD1 ILE A 79 14.749 10.806 0.359 1.00 0.00 C ATOM 0 H ILE A 79 12.556 10.951 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 79 14.011 12.993 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 79 14.929 10.267 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.572 12.598 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.841 12.437 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.149 11.322 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.567 11.293 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.501 12.804 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.583 11.257 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.941 10.108 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.699 10.272 0.362 1.00 0.00 H new ATOM 1306 N LYS A 80 14.546 10.082 -4.557 1.00 0.00 N ATOM 1307 CA LYS A 80 14.817 9.441 -5.839 1.00 0.00 C ATOM 1308 C LYS A 80 14.552 7.941 -5.764 1.00 0.00 C ATOM 1309 O LYS A 80 15.306 7.201 -5.132 1.00 0.00 O ATOM 1310 CB LYS A 80 16.263 9.696 -6.268 1.00 0.00 C ATOM 1311 CG LYS A 80 16.553 9.283 -7.702 1.00 0.00 C ATOM 1312 CD LYS A 80 17.609 10.174 -8.335 1.00 0.00 C ATOM 1313 CE LYS A 80 17.305 10.444 -9.799 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.543 10.687 -10.590 1.00 0.00 N ATOM 0 H LYS A 80 14.649 9.468 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 80 14.146 9.873 -6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.486 10.757 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.933 9.154 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.890 8.247 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.635 9.331 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.662 11.118 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.587 9.700 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.767 9.595 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.648 11.310 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.291 10.867 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.044 11.513 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.159 9.851 -10.535 1.00 0.00 H new ATOM 1328 N GLN A 81 13.480 7.501 -6.419 1.00 0.00 N ATOM 1329 CA GLN A 81 13.105 6.092 -6.434 1.00 0.00 C ATOM 1330 C GLN A 81 11.880 5.881 -7.319 1.00 0.00 C ATOM 1331 O GLN A 81 11.998 5.470 -8.473 1.00 0.00 O ATOM 1332 CB GLN A 81 12.816 5.598 -5.015 1.00 0.00 C ATOM 1333 CG GLN A 81 13.834 4.594 -4.503 1.00 0.00 C ATOM 1334 CD GLN A 81 13.528 4.117 -3.097 1.00 0.00 C ATOM 1335 OE1 GLN A 81 12.633 3.299 -2.887 1.00 0.00 O ATOM 1336 NE2 GLN A 81 14.272 4.629 -2.123 1.00 0.00 N ATOM 0 H GLN A 81 12.853 8.106 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 81 13.938 5.519 -6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.790 6.453 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.826 5.143 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.862 3.736 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.826 5.046 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.004 5.305 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.111 4.346 -1.156 1.00 0.00 H new ATOM 1345 N LEU A 82 10.705 6.168 -6.766 1.00 0.00 N ATOM 1346 CA LEU A 82 9.454 6.022 -7.503 1.00 0.00 C ATOM 1347 C LEU A 82 8.482 7.143 -7.154 1.00 0.00 C ATOM 1348 O LEU A 82 7.477 6.922 -6.476 1.00 0.00 O ATOM 1349 CB LEU A 82 8.812 4.661 -7.216 1.00 0.00 C ATOM 1350 CG LEU A 82 9.111 4.075 -5.835 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.886 3.360 -5.285 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.296 3.125 -5.907 1.00 0.00 C ATOM 0 H LEU A 82 10.593 6.503 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 82 9.684 6.083 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.732 4.757 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.147 3.953 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 82 9.365 4.892 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.116 2.949 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.060 4.066 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.603 2.552 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.496 2.717 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.069 2.311 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.174 3.665 -6.261 1.00 0.00 H new ATOM 1364 N ASN A 83 8.787 8.348 -7.625 1.00 0.00 N ATOM 1365 CA ASN A 83 7.941 9.506 -7.368 1.00 0.00 C ATOM 1366 C ASN A 83 6.638 9.402 -8.152 1.00 0.00 C ATOM 1367 O ASN A 83 5.620 9.979 -7.767 1.00 0.00 O ATOM 1368 CB ASN A 83 8.677 10.796 -7.741 1.00 0.00 C ATOM 1369 CG ASN A 83 7.782 12.018 -7.659 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.096 12.364 -8.621 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.786 12.678 -6.507 1.00 0.00 N ATOM 0 H ASN A 83 9.615 8.547 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 83 7.706 9.529 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.530 10.929 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.072 10.706 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.204 13.508 -6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.371 12.355 -5.736 1.00 0.00 H new ATOM 1378 N HIS A 84 6.679 8.660 -9.254 1.00 0.00 N ATOM 1379 CA HIS A 84 5.502 8.472 -10.096 1.00 0.00 C ATOM 1380 C HIS A 84 4.399 7.752 -9.328 1.00 0.00 C ATOM 1381 O HIS A 84 3.221 8.085 -9.456 1.00 0.00 O ATOM 1382 CB HIS A 84 5.862 7.684 -11.358 1.00 0.00 C ATOM 1383 CG HIS A 84 6.973 6.699 -11.160 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.190 6.797 -11.803 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.049 5.591 -10.385 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.964 5.793 -11.433 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.295 5.048 -10.573 1.00 0.00 N ATOM 0 H HIS A 84 7.515 8.179 -9.585 1.00 0.00 H new ATOM 0 HA HIS A 84 5.137 9.456 -10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.977 7.153 -11.708 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.146 8.384 -12.144 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.273 5.206 -9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.972 5.612 -11.776 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.648 4.204 -10.121 1.00 0.00 H new ATOM 1396 N PHE A 85 4.788 6.765 -8.525 1.00 0.00 N ATOM 1397 CA PHE A 85 3.827 6.004 -7.737 1.00 0.00 C ATOM 1398 C PHE A 85 3.130 6.906 -6.727 1.00 0.00 C ATOM 1399 O PHE A 85 2.015 6.621 -6.291 1.00 0.00 O ATOM 1400 CB PHE A 85 4.520 4.847 -7.011 1.00 0.00 C ATOM 1401 CG PHE A 85 3.564 3.811 -6.488 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.849 3.006 -7.362 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.380 3.641 -5.124 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.969 2.054 -6.886 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.500 2.689 -4.643 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.794 1.894 -5.525 1.00 0.00 C ATOM 0 H PHE A 85 5.759 6.475 -8.404 1.00 0.00 H new ATOM 0 HA PHE A 85 3.081 5.594 -8.417 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.224 4.370 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.102 5.246 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.982 3.125 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.930 4.259 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.418 1.435 -7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.365 2.567 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.107 1.149 -5.151 1.00 0.00 H new ATOM 1416 N TRP A 86 3.795 7.998 -6.362 1.00 0.00 N ATOM 1417 CA TRP A 86 3.240 8.942 -5.406 1.00 0.00 C ATOM 1418 C TRP A 86 2.216 9.851 -6.079 1.00 0.00 C ATOM 1419 O TRP A 86 1.094 9.999 -5.593 1.00 0.00 O ATOM 1420 CB TRP A 86 4.356 9.775 -4.778 1.00 0.00 C ATOM 1421 CG TRP A 86 3.898 10.579 -3.605 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.934 11.935 -3.479 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.330 10.075 -2.392 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.422 12.309 -2.260 1.00 0.00 N ATOM 1425 CE2 TRP A 86 3.044 11.183 -1.574 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.036 8.794 -1.920 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.478 11.047 -0.309 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.474 8.660 -0.666 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.200 9.780 0.126 1.00 0.00 C ATOM 0 H TRP A 86 4.718 8.248 -6.715 1.00 0.00 H new ATOM 0 HA TRP A 86 2.736 8.380 -4.620 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.163 9.113 -4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.769 10.446 -5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.310 12.616 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.337 13.267 -1.921 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.244 7.924 -2.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.266 11.909 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.242 7.674 -0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.759 9.642 1.102 1.00 0.00 H new ATOM 1440 N GLU A 87 2.605 10.452 -7.201 1.00 0.00 N ATOM 1441 CA GLU A 87 1.714 11.337 -7.942 1.00 0.00 C ATOM 1442 C GLU A 87 0.510 10.555 -8.452 1.00 0.00 C ATOM 1443 O GLU A 87 -0.524 11.129 -8.799 1.00 0.00 O ATOM 1444 CB GLU A 87 2.453 11.986 -9.114 1.00 0.00 C ATOM 1445 CG GLU A 87 3.425 13.076 -8.690 1.00 0.00 C ATOM 1446 CD GLU A 87 4.171 13.680 -9.864 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.920 12.940 -10.535 1.00 0.00 O ATOM 1448 OE2 GLU A 87 4.005 14.894 -10.111 1.00 0.00 O ATOM 0 H GLU A 87 3.530 10.342 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 87 1.370 12.125 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.998 11.216 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.723 12.410 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.879 13.862 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.143 12.662 -7.982 1.00 0.00 H new ATOM 1455 N ILE A 88 0.661 9.237 -8.489 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.406 8.355 -8.939 1.00 0.00 C ATOM 1457 C ILE A 88 -1.340 8.028 -7.779 1.00 0.00 C ATOM 1458 O ILE A 88 -2.529 8.347 -7.817 1.00 0.00 O ATOM 1459 CB ILE A 88 0.150 7.046 -9.540 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.763 7.313 -10.917 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -0.945 5.995 -9.642 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.691 6.216 -11.389 1.00 0.00 C ATOM 0 H ILE A 88 1.516 8.755 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.957 8.879 -9.720 1.00 0.00 H new ATOM 0 HB ILE A 88 0.929 6.666 -8.878 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.039 7.437 -11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.313 8.254 -10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.533 5.080 -10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.342 5.786 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.746 6.365 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.088 6.473 -12.371 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.514 6.106 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.141 5.277 -11.454 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.789 7.383 -6.756 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.559 7.012 -5.572 1.00 0.00 C ATOM 1476 C VAL A 89 -2.340 8.203 -5.015 1.00 0.00 C ATOM 1477 O VAL A 89 -3.406 8.032 -4.423 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.647 6.436 -4.467 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.400 6.302 -3.152 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.080 5.091 -4.898 1.00 0.00 C ATOM 0 H VAL A 89 0.192 7.105 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.266 6.244 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 89 0.179 7.130 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.734 5.894 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.756 7.282 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.250 5.633 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.561 4.697 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.897 4.394 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.503 5.217 -5.810 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.818 9.409 -5.219 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.483 10.611 -4.728 1.00 0.00 C ATOM 1492 C VAL A 90 -3.591 11.042 -5.686 1.00 0.00 C ATOM 1493 O VAL A 90 -4.719 11.298 -5.266 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.491 11.777 -4.514 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -0.885 12.235 -5.832 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.175 12.936 -3.806 1.00 0.00 C ATOM 0 H VAL A 90 -0.944 9.579 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.919 10.362 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.679 11.415 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.192 13.056 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.350 11.405 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.678 12.573 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.461 13.748 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.011 13.289 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.544 12.603 -2.836 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.256 11.130 -6.970 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.223 11.512 -7.993 1.00 0.00 C ATOM 1508 C GLN A 91 -5.465 10.628 -7.928 1.00 0.00 C ATOM 1509 O GLN A 91 -6.571 11.073 -8.237 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.590 11.420 -9.383 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.017 12.737 -9.879 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.963 13.475 -10.805 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.276 13.001 -11.898 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -4.426 14.642 -10.372 1.00 0.00 N ATOM 0 H GLN A 91 -2.319 10.941 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.523 12.543 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.797 10.673 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.340 11.070 -10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.783 13.372 -9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.079 12.547 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.140 14.997 -9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.067 15.183 -10.952 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.276 9.375 -7.522 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.384 8.428 -7.414 1.00 0.00 C ATOM 1525 C ASP A 92 -7.281 8.754 -6.221 1.00 0.00 C ATOM 1526 O ASP A 92 -8.158 7.968 -5.863 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.847 7.002 -7.285 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.468 6.404 -8.626 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.320 6.620 -9.069 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.318 5.718 -9.231 1.00 0.00 O ATOM 0 H ASP A 92 -4.367 8.992 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.983 8.510 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.975 7.003 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.601 6.374 -6.810 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.057 9.913 -5.610 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.856 10.318 -4.468 1.00 0.00 C ATOM 1537 C GLY A 93 -7.483 9.580 -3.196 1.00 0.00 C ATOM 1538 O GLY A 93 -7.979 9.905 -2.117 1.00 0.00 O ATOM 0 H GLY A 93 -6.336 10.579 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.736 11.390 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.909 10.144 -4.688 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.611 8.583 -3.320 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.180 7.804 -2.164 1.00 0.00 C ATOM 1544 C ILE A 94 -5.351 8.661 -1.215 1.00 0.00 C ATOM 1545 O ILE A 94 -4.519 9.458 -1.650 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.353 6.571 -2.581 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.973 5.894 -3.806 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.250 5.590 -1.422 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.076 4.856 -4.443 1.00 0.00 C ATOM 0 H ILE A 94 -6.191 8.297 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.083 7.463 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.349 6.901 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.911 5.422 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.217 6.655 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.664 4.724 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.764 6.076 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.249 5.267 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.581 4.418 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.148 5.327 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.852 4.074 -3.718 1.00 0.00 H new ATOM 1561 N THR A 95 -5.582 8.496 0.083 1.00 0.00 N ATOM 1562 CA THR A 95 -4.859 9.264 1.089 1.00 0.00 C ATOM 1563 C THR A 95 -4.299 8.364 2.183 1.00 0.00 C ATOM 1564 O THR A 95 -4.693 7.205 2.314 1.00 0.00 O ATOM 1565 CB THR A 95 -5.762 10.337 1.730 1.00 0.00 C ATOM 1566 OG1 THR A 95 -5.134 10.878 2.898 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.117 9.754 2.103 1.00 0.00 C ATOM 0 H THR A 95 -6.263 7.838 0.462 1.00 0.00 H new ATOM 0 HA THR A 95 -4.032 9.753 0.575 1.00 0.00 H new ATOM 0 HB THR A 95 -5.913 11.132 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.715 11.559 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.736 10.530 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.608 9.373 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.979 8.941 2.816 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.374 8.911 2.965 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.742 8.173 4.052 1.00 0.00 C ATOM 1577 C LEU A 96 -3.775 7.644 5.039 1.00 0.00 C ATOM 1578 O LEU A 96 -4.970 7.915 4.918 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.741 9.070 4.788 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.324 9.124 4.198 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.623 8.263 5.019 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.308 8.693 2.737 1.00 0.00 C ATOM 0 H LEU A 96 -3.044 9.871 2.864 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.218 7.323 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.142 10.083 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.670 8.730 5.821 1.00 0.00 H new ATOM 0 HG LEU A 96 0.015 10.159 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.623 8.311 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.651 8.630 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.274 7.230 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.711 8.744 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.676 7.670 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.948 9.356 2.155 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.296 6.889 6.020 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.160 6.313 7.041 1.00 0.00 C ATOM 1596 C ILE A 97 -4.671 7.396 7.990 1.00 0.00 C ATOM 1597 O ILE A 97 -3.885 8.095 8.631 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.409 5.218 7.838 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.722 3.835 7.260 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.759 5.273 9.320 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -3.006 3.546 5.955 1.00 0.00 C ATOM 0 H ILE A 97 -2.308 6.661 6.130 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.015 5.857 6.542 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.339 5.404 7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.448 3.074 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.797 3.752 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.216 4.492 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.481 6.247 9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.831 5.120 9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.275 2.549 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.299 4.284 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.929 3.596 6.112 1.00 0.00 H new ATOM 1613 N THR A 98 -5.992 7.540 8.065 1.00 0.00 N ATOM 1614 CA THR A 98 -6.601 8.539 8.935 1.00 0.00 C ATOM 1615 C THR A 98 -7.206 7.902 10.182 1.00 0.00 C ATOM 1616 O THR A 98 -7.688 6.770 10.143 1.00 0.00 O ATOM 1617 CB THR A 98 -7.696 9.333 8.198 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.664 9.029 6.798 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.511 10.829 8.402 1.00 0.00 C ATOM 0 H THR A 98 -6.658 6.979 7.535 1.00 0.00 H new ATOM 0 HA THR A 98 -5.803 9.219 9.233 1.00 0.00 H new ATOM 0 HB THR A 98 -8.663 9.044 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.364 9.536 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.296 11.368 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.566 11.061 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.538 11.131 8.015 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.158 8.639 11.288 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.698 8.179 12.566 1.00 0.00 C ATOM 1629 C LYS A 99 -9.030 7.444 12.404 1.00 0.00 C ATOM 1630 O LYS A 99 -9.077 6.214 12.420 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.877 9.366 13.516 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.174 10.679 12.806 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.525 11.780 13.795 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.278 12.417 14.386 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.603 13.339 15.508 1.00 0.00 N ATOM 0 H LYS A 99 -6.745 9.571 11.325 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.981 7.472 12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.689 9.146 14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.972 9.482 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.307 10.980 12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.000 10.538 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.122 12.543 13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.139 11.369 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.605 11.636 14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.747 12.965 13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.725 13.752 15.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.224 14.099 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.087 12.811 16.262 1.00 0.00 H new ATOM 1649 N GLU A 100 -10.107 8.208 12.253 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.446 7.639 12.114 1.00 0.00 C ATOM 1651 C GLU A 100 -11.538 6.661 10.943 1.00 0.00 C ATOM 1652 O GLU A 100 -12.430 5.815 10.908 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.475 8.758 11.954 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.911 8.264 11.878 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.909 9.297 12.362 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.763 9.771 13.509 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -15.836 9.631 11.596 1.00 0.00 O ATOM 0 H GLU A 100 -10.080 9.227 12.224 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.660 7.075 13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.382 9.448 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.246 9.323 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.144 7.993 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.012 7.358 12.476 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.620 6.779 9.985 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.608 5.885 8.826 1.00 0.00 C ATOM 1666 C GLU A 101 -10.426 4.425 9.250 1.00 0.00 C ATOM 1667 O GLU A 101 -10.323 3.533 8.407 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.499 6.286 7.853 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.787 5.902 6.411 1.00 0.00 C ATOM 1670 CD GLU A 101 -8.526 5.769 5.580 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -7.928 4.672 5.582 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -8.137 6.760 4.929 1.00 0.00 O ATOM 0 H GLU A 101 -9.879 7.480 9.987 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.573 5.978 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.349 7.364 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.566 5.817 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.331 4.958 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.436 6.653 5.962 1.00 0.00 H new ATOM 1679 N ALA A 102 -10.390 4.194 10.558 1.00 0.00 N ATOM 1680 CA ALA A 102 -10.233 2.852 11.104 1.00 0.00 C ATOM 1681 C ALA A 102 -11.038 2.704 12.388 1.00 0.00 C ATOM 1682 O ALA A 102 -11.794 1.747 12.556 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.764 2.549 11.358 1.00 0.00 C ATOM 0 H ALA A 102 -10.468 4.926 11.264 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.611 2.135 10.375 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.665 1.543 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.211 2.617 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.362 3.270 12.070 1.00 0.00 H new ATOM 1689 N SER A 103 -10.869 3.669 13.288 1.00 0.00 N ATOM 1690 CA SER A 103 -11.572 3.675 14.566 1.00 0.00 C ATOM 1691 C SER A 103 -11.201 4.920 15.364 1.00 0.00 C ATOM 1692 O SER A 103 -10.508 5.800 14.857 1.00 0.00 O ATOM 1693 CB SER A 103 -11.227 2.421 15.374 1.00 0.00 C ATOM 1694 OG SER A 103 -12.273 2.088 16.270 1.00 0.00 O ATOM 0 H SER A 103 -10.245 4.464 13.153 1.00 0.00 H new ATOM 0 HA SER A 103 -12.644 3.682 14.369 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.045 1.587 14.697 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.305 2.586 15.932 1.00 0.00 H new ATOM 0 HG SER A 103 -12.029 1.283 16.773 1.00 0.00 H new ATOM 1700 N GLY A 104 -11.695 5.003 16.598 1.00 0.00 N ATOM 1701 CA GLY A 104 -11.383 6.138 17.450 1.00 0.00 C ATOM 1702 C GLY A 104 -9.951 6.109 17.946 1.00 0.00 C ATOM 1703 O GLY A 104 -9.699 6.133 19.150 1.00 0.00 O ATOM 0 H GLY A 104 -12.305 4.305 17.022 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.555 7.062 16.898 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.061 6.146 18.304 1.00 0.00 H new ATOM 1707 N SER A 105 -9.014 6.059 17.006 1.00 0.00 N ATOM 1708 CA SER A 105 -7.598 6.023 17.339 1.00 0.00 C ATOM 1709 C SER A 105 -6.897 7.265 16.835 1.00 0.00 C ATOM 1710 O SER A 105 -7.011 7.621 15.663 1.00 0.00 O ATOM 1711 CB SER A 105 -6.940 4.770 16.758 1.00 0.00 C ATOM 1712 OG SER A 105 -7.242 3.626 17.537 1.00 0.00 O ATOM 0 H SER A 105 -9.212 6.043 16.006 1.00 0.00 H new ATOM 0 HA SER A 105 -7.506 5.992 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.282 4.617 15.735 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.860 4.910 16.715 1.00 0.00 H new ATOM 0 HG SER A 105 -6.811 2.839 17.143 1.00 0.00 H new ATOM 1718 N SER A 106 -6.166 7.922 17.723 1.00 0.00 N ATOM 1719 CA SER A 106 -5.455 9.132 17.368 1.00 0.00 C ATOM 1720 C SER A 106 -4.462 8.878 16.247 1.00 0.00 C ATOM 1721 O SER A 106 -3.657 7.948 16.301 1.00 0.00 O ATOM 1722 CB SER A 106 -4.728 9.700 18.588 1.00 0.00 C ATOM 1723 OG SER A 106 -5.639 10.001 19.631 1.00 0.00 O ATOM 0 H SER A 106 -6.052 7.634 18.695 1.00 0.00 H new ATOM 0 HA SER A 106 -6.188 9.858 17.018 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.990 8.981 18.942 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.185 10.601 18.304 1.00 0.00 H new ATOM 0 HG SER A 106 -5.149 10.361 20.400 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.535 9.722 15.235 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.640 9.643 14.089 1.00 0.00 C ATOM 1731 C VAL A 107 -3.116 11.027 13.756 1.00 0.00 C ATOM 1732 O VAL A 107 -3.884 11.969 13.553 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.311 9.012 12.851 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.621 9.451 11.566 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -4.287 7.499 12.966 1.00 0.00 C ATOM 0 H VAL A 107 -5.214 10.481 15.181 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.813 8.988 14.365 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.345 9.355 12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.116 8.990 10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.676 10.536 11.476 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.576 9.142 11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.762 7.060 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.255 7.155 13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.827 7.194 13.862 1.00 0.00 H new ATOM 1745 N THR A 108 -1.800 11.134 13.707 1.00 0.00 N ATOM 1746 CA THR A 108 -1.134 12.395 13.440 1.00 0.00 C ATOM 1747 C THR A 108 -1.721 13.134 12.240 1.00 0.00 C ATOM 1748 O THR A 108 -2.203 12.524 11.284 1.00 0.00 O ATOM 1749 CB THR A 108 0.362 12.155 13.194 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.767 10.929 13.816 1.00 0.00 O ATOM 1751 CG2 THR A 108 1.188 13.302 13.745 1.00 0.00 C ATOM 0 H THR A 108 -1.164 10.350 13.851 1.00 0.00 H new ATOM 0 HA THR A 108 -1.285 13.020 14.320 1.00 0.00 H new ATOM 0 HB THR A 108 0.528 12.091 12.119 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.722 10.780 13.654 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.245 13.111 13.560 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.895 14.230 13.254 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.018 13.390 14.818 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.670 14.463 12.313 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.161 15.331 11.247 1.00 0.00 C ATOM 1761 C ALA A 109 -1.097 15.491 10.170 1.00 0.00 C ATOM 1762 O ALA A 109 -1.363 15.987 9.075 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.563 16.687 11.809 1.00 0.00 C ATOM 0 H ALA A 109 -1.287 14.967 13.113 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.042 14.872 10.799 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.927 17.322 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.352 16.555 12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.699 17.157 12.279 1.00 0.00 H new ATOM 1769 N GLU A 110 0.114 15.065 10.506 1.00 0.00 N ATOM 1770 CA GLU A 110 1.253 15.162 9.606 1.00 0.00 C ATOM 1771 C GLU A 110 1.281 13.972 8.654 1.00 0.00 C ATOM 1772 O GLU A 110 1.962 13.994 7.632 1.00 0.00 O ATOM 1773 CB GLU A 110 2.558 15.228 10.400 1.00 0.00 C ATOM 1774 CG GLU A 110 2.861 16.610 10.958 1.00 0.00 C ATOM 1775 CD GLU A 110 3.984 16.594 11.976 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.159 16.706 11.566 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.690 16.469 13.183 1.00 0.00 O ATOM 0 H GLU A 110 0.333 14.643 11.409 1.00 0.00 H new ATOM 0 HA GLU A 110 1.152 16.077 9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.509 14.515 11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.381 14.916 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.127 17.278 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.962 17.016 11.421 1.00 0.00 H new ATOM 1784 N GLU A 111 0.543 12.930 9.009 1.00 0.00 N ATOM 1785 CA GLU A 111 0.496 11.724 8.203 1.00 0.00 C ATOM 1786 C GLU A 111 -0.504 11.865 7.058 1.00 0.00 C ATOM 1787 O GLU A 111 -0.197 11.538 5.914 1.00 0.00 O ATOM 1788 CB GLU A 111 0.131 10.519 9.079 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.471 9.360 8.305 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.369 8.044 9.052 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.627 7.852 9.782 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.285 7.209 8.909 1.00 0.00 O ATOM 0 H GLU A 111 -0.031 12.898 9.851 1.00 0.00 H new ATOM 0 HA GLU A 111 1.484 11.566 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.026 10.173 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.576 10.839 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.519 9.574 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.035 9.268 7.344 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.697 12.360 7.367 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.740 12.509 6.361 1.00 0.00 C ATOM 1801 C ALA A 112 -2.676 13.845 5.616 1.00 0.00 C ATOM 1802 O ALA A 112 -2.849 13.889 4.398 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.106 12.339 7.006 1.00 0.00 C ATOM 0 H ALA A 112 -1.965 12.664 8.303 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.573 11.730 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.882 12.451 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.176 11.348 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.240 13.096 7.779 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.431 14.928 6.347 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.400 16.262 5.746 1.00 0.00 C ATOM 1811 C LYS A 113 -1.053 16.609 5.112 1.00 0.00 C ATOM 1812 O LYS A 113 -1.006 17.104 3.985 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.760 17.317 6.794 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.914 18.216 6.380 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.322 19.153 7.505 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.796 19.004 7.846 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.248 20.038 8.819 1.00 0.00 N ATOM 0 H LYS A 113 -2.252 14.911 7.351 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.137 16.256 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.017 16.817 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.883 17.933 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.626 18.800 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.767 17.603 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.720 18.945 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.117 20.183 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.389 19.079 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.974 18.012 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.258 19.902 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.700 19.950 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.102 20.984 8.413 1.00 0.00 H new ATOM 1831 N LYS A 114 0.039 16.357 5.825 1.00 0.00 N ATOM 1832 CA LYS A 114 1.368 16.691 5.315 1.00 0.00 C ATOM 1833 C LYS A 114 1.715 15.894 4.062 1.00 0.00 C ATOM 1834 O LYS A 114 2.312 16.427 3.125 1.00 0.00 O ATOM 1835 CB LYS A 114 2.427 16.459 6.392 1.00 0.00 C ATOM 1836 CG LYS A 114 3.488 17.546 6.445 1.00 0.00 C ATOM 1837 CD LYS A 114 4.546 17.345 5.371 1.00 0.00 C ATOM 1838 CE LYS A 114 5.635 18.403 5.457 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.158 19.730 4.977 1.00 0.00 N ATOM 0 H LYS A 114 0.034 15.927 6.750 1.00 0.00 H new ATOM 0 HA LYS A 114 1.354 17.747 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.937 16.393 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.911 15.499 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.018 18.521 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.961 17.547 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.990 16.355 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.079 17.381 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.975 18.491 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.494 18.089 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.929 20.424 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.857 19.652 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.355 20.042 5.559 1.00 0.00 H new ATOM 1853 N PHE A 115 1.344 14.619 4.044 1.00 0.00 N ATOM 1854 CA PHE A 115 1.632 13.756 2.904 1.00 0.00 C ATOM 1855 C PHE A 115 0.906 14.226 1.646 1.00 0.00 C ATOM 1856 O PHE A 115 1.504 14.321 0.574 1.00 0.00 O ATOM 1857 CB PHE A 115 1.236 12.315 3.220 1.00 0.00 C ATOM 1858 CG PHE A 115 2.246 11.580 4.053 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.620 12.058 5.298 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.816 10.405 3.594 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.540 11.378 6.069 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.738 9.720 4.359 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.100 10.208 5.598 1.00 0.00 C ATOM 0 H PHE A 115 0.844 14.160 4.805 1.00 0.00 H new ATOM 0 HA PHE A 115 2.704 13.806 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.279 12.317 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.087 11.775 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.186 12.974 5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.536 10.019 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.821 11.760 7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.175 8.804 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.821 9.674 6.199 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.382 14.520 1.782 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.186 14.971 0.650 1.00 0.00 C ATOM 1875 C LEU A 116 -1.260 16.495 0.596 1.00 0.00 C ATOM 1876 O LEU A 116 -2.284 17.061 0.215 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.595 14.381 0.730 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.713 12.923 0.280 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.594 11.987 1.472 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.028 12.696 -0.452 1.00 0.00 C ATOM 0 H LEU A 116 -0.892 14.455 2.663 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.703 14.621 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.947 14.457 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.262 14.989 0.119 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.896 12.706 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.680 10.954 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.627 12.132 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.390 12.203 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.095 11.654 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.860 12.930 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.072 13.342 -1.329 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.169 17.152 0.976 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.113 18.608 0.964 1.00 0.00 C ATOM 1894 C ALA A 117 0.040 19.139 -0.461 1.00 0.00 C ATOM 1895 O ALA A 117 0.611 18.467 -1.320 1.00 0.00 O ATOM 1896 CB ALA A 117 1.035 19.097 1.836 1.00 0.00 C ATOM 0 H ALA A 117 0.687 16.699 1.296 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.051 18.988 1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.066 20.186 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.886 18.754 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.976 18.701 1.454 1.00 0.00 H new