USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 180:sc= 0.113 USER MOD Set 1.2: A 119 ASN : amide:sc= -4.97! C(o=-4.9!,f=-9.1!) USER MOD Set 2.1: A 21 THR OG1 : rot 114:sc= 0.744 USER MOD Set 2.2: A 100 GLN : amide:sc= 1.06 K(o=1.8,f=0.098) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.0478 X(o=-2.4,f=-2.4) USER MOD Set 3.2: A 81 THR OG1 : rot -80:sc= -2.36! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc=-0.00531 (180deg=-0.134) USER MOD Single : A 13 ASN : amide:sc= -9.15! C(o=-9.1!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.6) USER MOD Single : A 16 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.3!) USER MOD Single : A 31 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -1.18 (180deg=-2.8!) USER MOD Single : A 42 MET CE :methyl 163:sc= -0.029 (180deg=-0.341) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.296 USER MOD Single : A 48 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 56:sc= 0.0728 USER MOD Single : A 63 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 64 HIS : no HE2:sc= -19.6! C(o=-20!,f=-25!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= 0.0707 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.0897 F(o=-0.73,f=-0.09) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -108:sc= -1.78 (180deg=-5.23!) USER MOD Single : A 106 SER OG : rot 15:sc= 0.745 USER MOD Single : A 111 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -22.147 -5.746 -4.091 1.00 0.00 N ATOM 21 CA LYS A 2 -21.023 -5.054 -4.713 1.00 0.00 C ATOM 22 C LYS A 2 -19.704 -5.473 -4.072 1.00 0.00 C ATOM 23 O LYS A 2 -19.648 -5.764 -2.877 1.00 0.00 O ATOM 24 CB LYS A 2 -21.203 -3.539 -4.596 1.00 0.00 C ATOM 25 CG LYS A 2 -20.805 -2.781 -5.853 1.00 0.00 C ATOM 26 CD LYS A 2 -22.007 -2.504 -6.741 1.00 0.00 C ATOM 27 CE LYS A 2 -21.599 -2.339 -8.195 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.394 -0.908 -8.556 1.00 0.00 N ATOM 0 HA LYS A 2 -20.997 -5.329 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.246 -3.322 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.609 -3.174 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.331 -1.839 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.066 -3.358 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.722 -3.322 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.513 -1.601 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.680 -2.895 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.366 -2.769 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.117 -0.839 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.278 -0.382 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.644 -0.504 -7.960 1.00 0.00 H new ATOM 42 N LYS A 3 -18.644 -5.503 -4.873 1.00 0.00 N ATOM 43 CA LYS A 3 -17.325 -5.887 -4.383 1.00 0.00 C ATOM 44 C LYS A 3 -16.246 -4.968 -4.948 1.00 0.00 C ATOM 45 O LYS A 3 -16.330 -4.526 -6.093 1.00 0.00 O ATOM 46 CB LYS A 3 -17.023 -7.340 -4.751 1.00 0.00 C ATOM 47 CG LYS A 3 -16.911 -7.581 -6.248 1.00 0.00 C ATOM 48 CD LYS A 3 -15.874 -8.646 -6.565 1.00 0.00 C ATOM 49 CE LYS A 3 -16.404 -10.041 -6.274 1.00 0.00 C ATOM 50 NZ LYS A 3 -17.421 -10.469 -7.273 1.00 0.00 N ATOM 0 H LYS A 3 -18.673 -5.266 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.325 -5.790 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.091 -7.640 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.808 -7.979 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.880 -7.887 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.643 -6.650 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.587 -8.576 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.975 -8.467 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.576 -10.750 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.844 -10.061 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.582 -11.493 -7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.313 -9.962 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.080 -10.251 -8.231 1.00 0.00 H new ATOM 64 N LEU A 4 -15.234 -4.684 -4.134 1.00 0.00 N ATOM 65 CA LEU A 4 -14.139 -3.816 -4.546 1.00 0.00 C ATOM 66 C LEU A 4 -12.824 -4.266 -3.911 1.00 0.00 C ATOM 67 O LEU A 4 -12.698 -4.299 -2.691 1.00 0.00 O ATOM 68 CB LEU A 4 -14.452 -2.367 -4.162 1.00 0.00 C ATOM 69 CG LEU A 4 -14.201 -2.011 -2.695 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.766 -1.543 -2.494 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.183 -0.947 -2.231 1.00 0.00 C ATOM 0 H LEU A 4 -15.151 -5.044 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.030 -3.880 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.853 -1.705 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.498 -2.165 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.354 -2.906 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.608 -1.295 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.080 -2.338 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.582 -0.661 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.991 -0.705 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.062 -0.050 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.201 -1.321 -2.335 1.00 0.00 H new ATOM 83 N GLN A 5 -11.852 -4.625 -4.741 1.00 0.00 N ATOM 84 CA GLN A 5 -10.562 -5.092 -4.244 1.00 0.00 C ATOM 85 C GLN A 5 -9.486 -4.019 -4.330 1.00 0.00 C ATOM 86 O GLN A 5 -9.525 -3.136 -5.187 1.00 0.00 O ATOM 87 CB GLN A 5 -10.103 -6.312 -5.038 1.00 0.00 C ATOM 88 CG GLN A 5 -11.189 -7.355 -5.215 1.00 0.00 C ATOM 89 CD GLN A 5 -10.666 -8.652 -5.798 1.00 0.00 C ATOM 90 OE1 GLN A 5 -11.121 -9.102 -6.850 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.705 -9.264 -5.115 1.00 0.00 N ATOM 0 H GLN A 5 -11.931 -4.602 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.703 -5.350 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.756 -5.989 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.251 -6.767 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.654 -7.557 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.967 -6.956 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.357 -8.856 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.315 -10.142 -5.458 1.00 0.00 H new ATOM 100 N ILE A 6 -8.515 -4.125 -3.432 1.00 0.00 N ATOM 101 CA ILE A 6 -7.393 -3.197 -3.380 1.00 0.00 C ATOM 102 C ILE A 6 -6.129 -3.919 -2.924 1.00 0.00 C ATOM 103 O ILE A 6 -6.145 -4.642 -1.928 1.00 0.00 O ATOM 104 CB ILE A 6 -7.670 -2.007 -2.436 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.391 -2.476 -1.164 1.00 0.00 C ATOM 106 CG2 ILE A 6 -8.471 -0.934 -3.161 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.855 -2.810 -1.366 1.00 0.00 C ATOM 0 H ILE A 6 -8.483 -4.855 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.254 -2.806 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.717 -1.573 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.880 -3.356 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.309 -1.697 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.659 -0.101 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.907 -0.580 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.421 -1.352 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.289 -3.132 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.383 -1.927 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.948 -3.611 -2.099 1.00 0.00 H new ATOM 119 N ALA A 7 -5.036 -3.723 -3.652 1.00 0.00 N ATOM 120 CA ALA A 7 -3.769 -4.363 -3.307 1.00 0.00 C ATOM 121 C ALA A 7 -2.682 -3.318 -3.142 1.00 0.00 C ATOM 122 O ALA A 7 -2.455 -2.517 -4.040 1.00 0.00 O ATOM 123 CB ALA A 7 -3.378 -5.375 -4.374 1.00 0.00 C ATOM 0 H ALA A 7 -4.999 -3.130 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.890 -4.891 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.432 -5.843 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.152 -6.139 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.270 -4.869 -5.333 1.00 0.00 H new ATOM 129 N VAL A 8 -2.020 -3.318 -1.992 1.00 0.00 N ATOM 130 CA VAL A 8 -0.974 -2.340 -1.728 1.00 0.00 C ATOM 131 C VAL A 8 0.400 -2.977 -1.569 1.00 0.00 C ATOM 132 O VAL A 8 0.531 -4.177 -1.329 1.00 0.00 O ATOM 133 CB VAL A 8 -1.284 -1.484 -0.475 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.753 -1.593 -0.084 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.387 -1.875 0.693 1.00 0.00 C ATOM 0 H VAL A 8 -2.187 -3.979 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.955 -1.695 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.077 -0.444 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.941 -0.982 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.376 -1.243 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.995 -2.633 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.627 -1.258 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.548 -2.924 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.657 -1.723 0.417 1.00 0.00 H new ATOM 145 N GLY A 9 1.419 -2.135 -1.692 1.00 0.00 N ATOM 146 CA GLY A 9 2.787 -2.574 -1.548 1.00 0.00 C ATOM 147 C GLY A 9 3.646 -1.497 -0.915 1.00 0.00 C ATOM 148 O GLY A 9 3.872 -0.444 -1.511 1.00 0.00 O ATOM 0 H GLY A 9 1.315 -1.140 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.820 -3.475 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.192 -2.838 -2.525 1.00 0.00 H new ATOM 152 N ILE A 10 4.116 -1.755 0.297 1.00 0.00 N ATOM 153 CA ILE A 10 4.948 -0.786 1.014 1.00 0.00 C ATOM 154 C ILE A 10 6.326 -0.690 0.363 1.00 0.00 C ATOM 155 O ILE A 10 7.202 -1.512 0.626 1.00 0.00 O ATOM 156 CB ILE A 10 5.109 -1.143 2.514 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.035 -2.140 2.973 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.047 0.121 3.359 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.998 -2.353 4.472 1.00 0.00 C ATOM 0 H ILE A 10 3.939 -2.621 0.806 1.00 0.00 H new ATOM 0 HA ILE A 10 4.439 0.176 0.954 1.00 0.00 H new ATOM 0 HB ILE A 10 6.082 -1.617 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.059 -1.786 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.209 -3.098 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.161 -0.139 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.850 0.796 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.086 0.612 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.215 -3.070 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.961 -2.738 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.792 -1.405 4.969 1.00 0.00 H new ATOM 171 N ILE A 11 6.497 0.309 -0.503 1.00 0.00 N ATOM 172 CA ILE A 11 7.754 0.508 -1.225 1.00 0.00 C ATOM 173 C ILE A 11 8.878 1.018 -0.310 1.00 0.00 C ATOM 174 O ILE A 11 8.784 2.097 0.275 1.00 0.00 O ATOM 175 CB ILE A 11 7.542 1.464 -2.429 1.00 0.00 C ATOM 176 CG1 ILE A 11 8.524 1.129 -3.559 1.00 0.00 C ATOM 177 CG2 ILE A 11 7.659 2.923 -2.012 1.00 0.00 C ATOM 178 CD1 ILE A 11 8.619 2.191 -4.642 1.00 0.00 C ATOM 0 H ILE A 11 5.776 0.997 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 11 8.071 -0.465 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 11 6.528 1.316 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.514 0.975 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.225 0.186 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.505 3.563 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.905 3.147 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.651 3.105 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.335 1.874 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.641 2.330 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.950 3.131 -4.201 1.00 0.00 H new ATOM 190 N ARG A 12 9.938 0.212 -0.180 1.00 0.00 N ATOM 191 CA ARG A 12 11.082 0.553 0.670 1.00 0.00 C ATOM 192 C ARG A 12 12.200 1.221 -0.123 1.00 0.00 C ATOM 193 O ARG A 12 12.412 0.912 -1.299 1.00 0.00 O ATOM 194 CB ARG A 12 11.624 -0.706 1.350 1.00 0.00 C ATOM 195 CG ARG A 12 11.204 -0.838 2.802 1.00 0.00 C ATOM 196 CD ARG A 12 12.405 -0.872 3.733 1.00 0.00 C ATOM 197 NE ARG A 12 13.162 -2.115 3.608 1.00 0.00 N ATOM 198 CZ ARG A 12 12.792 -3.267 4.164 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.678 -3.339 4.881 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.537 -4.351 4.000 1.00 0.00 N ATOM 0 H ARG A 12 10.026 -0.686 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 12 10.731 1.260 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.282 -1.582 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.713 -0.700 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.558 -0.002 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.618 -1.748 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.058 -0.027 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.068 -0.755 4.763 1.00 0.00 H new ATOM 0 HE ARG A 12 14.024 -2.100 3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.099 -2.509 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.400 -4.225 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.393 -4.303 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.254 -5.234 4.426 1.00 0.00 H new ATOM 214 N ASN A 13 12.920 2.133 0.537 1.00 0.00 N ATOM 215 CA ASN A 13 14.026 2.848 -0.101 1.00 0.00 C ATOM 216 C ASN A 13 15.389 2.317 0.341 1.00 0.00 C ATOM 217 O ASN A 13 15.492 1.297 1.025 1.00 0.00 O ATOM 218 CB ASN A 13 13.950 4.356 0.162 1.00 0.00 C ATOM 219 CG ASN A 13 13.888 4.709 1.631 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.881 4.481 2.292 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.968 5.289 2.143 1.00 0.00 N ATOM 0 H ASN A 13 12.756 2.392 1.510 1.00 0.00 H new ATOM 0 HA ASN A 13 13.923 2.672 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.820 4.839 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.070 4.760 -0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.982 5.564 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.783 5.459 1.554 1.00 0.00 H new ATOM 228 N GLU A 14 16.428 3.021 -0.093 1.00 0.00 N ATOM 229 CA GLU A 14 17.817 2.668 0.190 1.00 0.00 C ATOM 230 C GLU A 14 18.224 2.912 1.649 1.00 0.00 C ATOM 231 O GLU A 14 19.380 2.695 2.011 1.00 0.00 O ATOM 232 CB GLU A 14 18.718 3.493 -0.729 1.00 0.00 C ATOM 233 CG GLU A 14 20.206 3.292 -0.486 1.00 0.00 C ATOM 234 CD GLU A 14 20.808 4.381 0.381 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.607 5.571 0.062 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.480 4.043 1.378 1.00 0.00 O ATOM 0 H GLU A 14 16.330 3.864 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 14 17.926 1.598 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.493 3.238 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.480 4.549 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.365 2.324 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.726 3.266 -1.443 1.00 0.00 H new ATOM 243 N ASN A 15 17.298 3.370 2.482 1.00 0.00 N ATOM 244 CA ASN A 15 17.620 3.641 3.881 1.00 0.00 C ATOM 245 C ASN A 15 16.693 2.885 4.827 1.00 0.00 C ATOM 246 O ASN A 15 16.200 3.445 5.806 1.00 0.00 O ATOM 247 CB ASN A 15 17.539 5.142 4.157 1.00 0.00 C ATOM 248 CG ASN A 15 18.255 5.535 5.434 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.663 4.678 6.220 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.413 6.835 5.649 1.00 0.00 N ATOM 0 H ASN A 15 16.331 3.560 2.220 1.00 0.00 H new ATOM 0 HA ASN A 15 18.637 3.294 4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.973 5.687 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.493 5.440 4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.888 7.159 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.059 7.511 4.972 1.00 0.00 H new ATOM 257 N ASN A 16 16.462 1.610 4.527 1.00 0.00 N ATOM 258 CA ASN A 16 15.594 0.764 5.348 1.00 0.00 C ATOM 259 C ASN A 16 14.305 1.492 5.725 1.00 0.00 C ATOM 260 O ASN A 16 13.698 1.213 6.759 1.00 0.00 O ATOM 261 CB ASN A 16 16.330 0.305 6.610 1.00 0.00 C ATOM 262 CG ASN A 16 16.646 1.450 7.554 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.744 2.117 8.062 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.931 1.683 7.793 1.00 0.00 N ATOM 0 H ASN A 16 16.865 1.136 3.718 1.00 0.00 H new ATOM 0 HA ASN A 16 15.327 -0.112 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.721 -0.433 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.258 -0.191 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.204 2.440 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.645 1.105 7.350 1.00 0.00 H new ATOM 271 N GLU A 17 13.894 2.419 4.870 1.00 0.00 N ATOM 272 CA GLU A 17 12.678 3.190 5.087 1.00 0.00 C ATOM 273 C GLU A 17 11.663 2.861 4.001 1.00 0.00 C ATOM 274 O GLU A 17 12.019 2.313 2.958 1.00 0.00 O ATOM 275 CB GLU A 17 12.986 4.687 5.097 1.00 0.00 C ATOM 276 CG GLU A 17 13.661 5.164 6.372 1.00 0.00 C ATOM 277 CD GLU A 17 14.939 5.935 6.108 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.955 6.750 5.161 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.923 5.724 6.847 1.00 0.00 O ATOM 0 H GLU A 17 14.391 2.656 4.012 1.00 0.00 H new ATOM 0 HA GLU A 17 12.258 2.925 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.627 4.923 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.057 5.241 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.969 5.796 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.885 4.304 7.003 1.00 0.00 H new ATOM 286 N ILE A 18 10.400 3.165 4.251 1.00 0.00 N ATOM 287 CA ILE A 18 9.354 2.866 3.283 1.00 0.00 C ATOM 288 C ILE A 18 8.549 4.111 2.909 1.00 0.00 C ATOM 289 O ILE A 18 8.053 4.828 3.778 1.00 0.00 O ATOM 290 CB ILE A 18 8.426 1.757 3.835 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.218 0.660 2.793 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.089 2.320 4.303 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.229 -0.734 3.382 1.00 0.00 C ATOM 0 H ILE A 18 10.075 3.614 5.107 1.00 0.00 H new ATOM 0 HA ILE A 18 9.833 2.510 2.371 1.00 0.00 H new ATOM 0 HB ILE A 18 8.918 1.320 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.267 0.825 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.000 0.734 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.466 1.510 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.259 3.050 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.585 2.803 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.076 -1.465 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.189 -0.918 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.430 -0.824 4.118 1.00 0.00 H new ATOM 305 N PHE A 19 8.420 4.357 1.606 1.00 0.00 N ATOM 306 CA PHE A 19 7.671 5.507 1.117 1.00 0.00 C ATOM 307 C PHE A 19 6.171 5.245 1.229 1.00 0.00 C ATOM 308 O PHE A 19 5.624 4.386 0.537 1.00 0.00 O ATOM 309 CB PHE A 19 8.077 5.831 -0.336 1.00 0.00 C ATOM 310 CG PHE A 19 6.967 6.358 -1.216 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.003 7.225 -0.718 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.889 5.978 -2.547 1.00 0.00 C ATOM 313 CE1 PHE A 19 4.988 7.696 -1.530 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.876 6.447 -3.362 1.00 0.00 C ATOM 315 CZ PHE A 19 4.925 7.306 -2.852 1.00 0.00 C ATOM 0 H PHE A 19 8.825 3.775 0.873 1.00 0.00 H new ATOM 0 HA PHE A 19 7.908 6.375 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.882 6.566 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.482 4.928 -0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.047 7.535 0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.630 5.306 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.244 8.369 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.829 6.141 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.132 7.673 -3.487 1.00 0.00 H new ATOM 325 N ILE A 20 5.517 6.004 2.100 1.00 0.00 N ATOM 326 CA ILE A 20 4.082 5.877 2.306 1.00 0.00 C ATOM 327 C ILE A 20 3.391 7.199 1.986 1.00 0.00 C ATOM 328 O ILE A 20 3.757 8.244 2.523 1.00 0.00 O ATOM 329 CB ILE A 20 3.732 5.472 3.758 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.991 5.365 4.625 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.963 4.161 3.776 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.705 5.397 6.110 1.00 0.00 C ATOM 0 H ILE A 20 5.962 6.717 2.677 1.00 0.00 H new ATOM 0 HA ILE A 20 3.733 5.090 1.638 1.00 0.00 H new ATOM 0 HB ILE A 20 3.100 6.254 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.512 4.438 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.665 6.184 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.726 3.892 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.039 4.273 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.572 3.376 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.641 5.317 6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.212 6.335 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.056 4.562 6.374 1.00 0.00 H new ATOM 344 N THR A 21 2.397 7.152 1.110 1.00 0.00 N ATOM 345 CA THR A 21 1.671 8.355 0.725 1.00 0.00 C ATOM 346 C THR A 21 0.790 8.851 1.868 1.00 0.00 C ATOM 347 O THR A 21 -0.190 8.204 2.236 1.00 0.00 O ATOM 348 CB THR A 21 0.817 8.091 -0.515 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.407 7.472 -0.161 1.00 0.00 O ATOM 350 CG2 THR A 21 1.497 7.208 -1.540 1.00 0.00 C ATOM 0 H THR A 21 2.076 6.298 0.654 1.00 0.00 H new ATOM 0 HA THR A 21 2.403 9.128 0.493 1.00 0.00 H new ATOM 0 HB THR A 21 0.651 9.072 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.150 8.080 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.834 7.063 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.419 7.683 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.728 6.242 -1.092 1.00 0.00 H new ATOM 358 N ARG A 22 1.143 10.006 2.425 1.00 0.00 N ATOM 359 CA ARG A 22 0.378 10.583 3.524 1.00 0.00 C ATOM 360 C ARG A 22 -0.779 11.421 2.990 1.00 0.00 C ATOM 361 O ARG A 22 -0.671 12.640 2.872 1.00 0.00 O ATOM 362 CB ARG A 22 1.281 11.446 4.409 1.00 0.00 C ATOM 363 CG ARG A 22 2.649 10.834 4.668 1.00 0.00 C ATOM 364 CD ARG A 22 3.596 11.835 5.314 1.00 0.00 C ATOM 365 NE ARG A 22 4.145 11.334 6.572 1.00 0.00 N ATOM 366 CZ ARG A 22 3.486 11.353 7.728 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.254 11.844 7.791 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.060 10.878 8.826 1.00 0.00 N ATOM 0 H ARG A 22 1.950 10.558 2.135 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.027 9.767 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.412 12.420 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.783 11.617 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.542 9.963 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.075 10.483 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.411 12.059 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.066 12.770 5.496 1.00 0.00 H new ATOM 0 HE ARG A 22 5.089 10.947 6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.807 12.210 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.754 11.856 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.006 10.499 8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.555 10.892 9.712 1.00 0.00 H new ATOM 493 N ASN A 31 -5.128 11.711 8.439 1.00 0.00 N ATOM 494 CA ASN A 31 -5.202 10.472 9.206 1.00 0.00 C ATOM 495 C ASN A 31 -5.430 9.258 8.302 1.00 0.00 C ATOM 496 O ASN A 31 -5.784 8.181 8.781 1.00 0.00 O ATOM 497 CB ASN A 31 -6.322 10.565 10.247 1.00 0.00 C ATOM 498 CG ASN A 31 -5.791 10.628 11.665 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.670 11.081 11.901 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.594 10.173 12.619 1.00 0.00 N ATOM 0 HA ASN A 31 -4.245 10.337 9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.926 11.451 10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.980 9.702 10.147 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.290 10.190 13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.515 9.806 12.379 1.00 0.00 H new ATOM 507 N LYS A 32 -5.225 9.431 6.997 1.00 0.00 N ATOM 508 CA LYS A 32 -5.412 8.340 6.045 1.00 0.00 C ATOM 509 C LYS A 32 -4.094 7.939 5.399 1.00 0.00 C ATOM 510 O LYS A 32 -4.065 7.413 4.287 1.00 0.00 O ATOM 511 CB LYS A 32 -6.431 8.723 4.973 1.00 0.00 C ATOM 512 CG LYS A 32 -7.742 7.961 5.086 1.00 0.00 C ATOM 513 CD LYS A 32 -8.939 8.897 5.051 1.00 0.00 C ATOM 514 CE LYS A 32 -9.409 9.148 3.628 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.889 9.286 3.547 1.00 0.00 N ATOM 0 H LYS A 32 -4.931 10.313 6.577 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.794 7.482 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.634 9.792 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.998 8.542 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.817 7.243 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.753 7.390 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.754 8.469 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.675 9.845 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.939 10.054 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.086 8.326 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.168 9.456 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.338 8.412 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.196 10.086 4.136 1.00 0.00 H new ATOM 529 N LEU A 33 -3.007 8.186 6.114 1.00 0.00 N ATOM 530 CA LEU A 33 -1.669 7.853 5.639 1.00 0.00 C ATOM 531 C LEU A 33 -1.640 6.440 5.055 1.00 0.00 C ATOM 532 O LEU A 33 -1.594 5.459 5.792 1.00 0.00 O ATOM 533 CB LEU A 33 -0.683 7.969 6.802 1.00 0.00 C ATOM 534 CG LEU A 33 0.776 8.191 6.409 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.632 8.413 7.647 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.295 7.010 5.606 1.00 0.00 C ATOM 0 H LEU A 33 -3.025 8.621 7.036 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.384 8.548 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.998 8.794 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.745 7.060 7.400 1.00 0.00 H new ATOM 0 HG LEU A 33 0.835 9.083 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.669 8.570 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.273 9.290 8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.569 7.539 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.336 7.184 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.224 6.103 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.698 6.895 4.701 1.00 0.00 H new ATOM 548 N GLU A 34 -1.687 6.336 3.727 1.00 0.00 N ATOM 549 CA GLU A 34 -1.688 5.029 3.072 1.00 0.00 C ATOM 550 C GLU A 34 -0.567 4.897 2.045 1.00 0.00 C ATOM 551 O GLU A 34 0.214 5.824 1.830 1.00 0.00 O ATOM 552 CB GLU A 34 -3.039 4.774 2.404 1.00 0.00 C ATOM 553 CG GLU A 34 -4.051 4.106 3.318 1.00 0.00 C ATOM 554 CD GLU A 34 -3.842 2.608 3.422 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.517 1.981 2.391 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.004 2.061 4.533 1.00 0.00 O ATOM 0 H GLU A 34 -1.724 7.132 3.090 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.514 4.281 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.447 5.722 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.888 4.149 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.985 4.548 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.057 4.304 2.947 1.00 0.00 H new ATOM 563 N PHE A 35 -0.497 3.723 1.423 1.00 0.00 N ATOM 564 CA PHE A 35 0.526 3.437 0.419 1.00 0.00 C ATOM 565 C PHE A 35 -0.090 3.097 -0.943 1.00 0.00 C ATOM 566 O PHE A 35 -1.271 2.765 -1.041 1.00 0.00 O ATOM 567 CB PHE A 35 1.437 2.280 0.872 1.00 0.00 C ATOM 568 CG PHE A 35 0.977 1.553 2.109 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.294 1.005 2.183 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.821 1.417 3.199 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.714 0.339 3.320 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.408 0.753 4.339 1.00 0.00 C ATOM 573 CZ PHE A 35 0.139 0.213 4.399 1.00 0.00 C ATOM 0 H PHE A 35 -1.140 2.950 1.597 1.00 0.00 H new ATOM 0 HA PHE A 35 1.122 4.344 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.519 1.562 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.437 2.674 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.965 1.099 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.816 1.836 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.708 -0.082 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.077 0.657 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.186 -0.307 5.288 1.00 0.00 H new ATOM 583 N PRO A 36 0.732 3.149 -2.009 1.00 0.00 N ATOM 584 CA PRO A 36 0.316 2.824 -3.382 1.00 0.00 C ATOM 585 C PRO A 36 -0.380 1.468 -3.467 1.00 0.00 C ATOM 586 O PRO A 36 -0.363 0.694 -2.511 1.00 0.00 O ATOM 587 CB PRO A 36 1.629 2.801 -4.179 1.00 0.00 C ATOM 588 CG PRO A 36 2.716 2.798 -3.158 1.00 0.00 C ATOM 589 CD PRO A 36 2.158 3.507 -1.961 1.00 0.00 C ATOM 0 HA PRO A 36 -0.406 3.547 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.686 1.918 -4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.707 3.670 -4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.012 1.780 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.605 3.305 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.629 3.173 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.307 4.585 -2.023 1.00 0.00 H new ATOM 597 N GLY A 37 -1.000 1.185 -4.613 1.00 0.00 N ATOM 598 CA GLY A 37 -1.693 -0.081 -4.776 1.00 0.00 C ATOM 599 C GLY A 37 -3.198 0.022 -4.657 1.00 0.00 C ATOM 600 O GLY A 37 -3.823 -0.608 -3.806 1.00 0.00 O ATOM 0 H GLY A 37 -1.034 1.804 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.444 -0.497 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.327 -0.783 -4.027 1.00 0.00 H new ATOM 604 N GLY A 38 -3.761 0.825 -5.533 1.00 0.00 N ATOM 605 CA GLY A 38 -5.195 1.031 -5.570 1.00 0.00 C ATOM 606 C GLY A 38 -5.767 0.850 -6.969 1.00 0.00 C ATOM 607 O GLY A 38 -5.334 1.529 -7.901 1.00 0.00 O ATOM 0 H GLY A 38 -3.243 1.351 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.678 0.331 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.425 2.035 -5.212 1.00 0.00 H new ATOM 611 N LYS A 39 -6.748 -0.060 -7.108 1.00 0.00 N ATOM 612 CA LYS A 39 -7.413 -0.338 -8.394 1.00 0.00 C ATOM 613 C LYS A 39 -7.099 -1.739 -8.927 1.00 0.00 C ATOM 614 O LYS A 39 -7.579 -2.113 -9.996 1.00 0.00 O ATOM 615 CB LYS A 39 -7.058 0.700 -9.463 1.00 0.00 C ATOM 616 CG LYS A 39 -7.894 0.573 -10.726 1.00 0.00 C ATOM 617 CD LYS A 39 -8.543 1.895 -11.104 1.00 0.00 C ATOM 618 CE LYS A 39 -9.642 2.277 -10.125 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.114 3.049 -8.966 1.00 0.00 N ATOM 0 H LYS A 39 -7.101 -0.622 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.481 -0.280 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.190 1.699 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.004 0.599 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.264 0.229 -11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.666 -0.182 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.786 2.679 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.959 1.823 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.397 2.869 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.136 1.375 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.802 3.780 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.956 2.406 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.215 3.500 -9.230 1.00 0.00 H new ATOM 633 N ILE A 40 -6.311 -2.523 -8.189 1.00 0.00 N ATOM 634 CA ILE A 40 -5.978 -3.882 -8.630 1.00 0.00 C ATOM 635 C ILE A 40 -7.242 -4.664 -8.953 1.00 0.00 C ATOM 636 O ILE A 40 -7.240 -5.586 -9.769 1.00 0.00 O ATOM 637 CB ILE A 40 -5.148 -4.651 -7.582 1.00 0.00 C ATOM 638 CG1 ILE A 40 -6.036 -5.205 -6.455 1.00 0.00 C ATOM 639 CG2 ILE A 40 -4.065 -3.745 -7.022 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.681 -6.620 -6.046 1.00 0.00 C ATOM 0 H ILE A 40 -5.897 -2.249 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.370 -3.781 -9.529 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.680 -5.505 -8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.955 -4.553 -5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.077 -5.179 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.480 -4.291 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.411 -3.417 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.525 -2.876 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.347 -6.946 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.790 -7.285 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.650 -6.649 -5.693 1.00 0.00 H new ATOM 652 N GLU A 41 -8.318 -4.268 -8.293 1.00 0.00 N ATOM 653 CA GLU A 41 -9.622 -4.889 -8.466 1.00 0.00 C ATOM 654 C GLU A 41 -9.930 -5.124 -9.939 1.00 0.00 C ATOM 655 O GLU A 41 -10.116 -6.264 -10.359 1.00 0.00 O ATOM 656 CB GLU A 41 -10.692 -4.001 -7.835 1.00 0.00 C ATOM 657 CG GLU A 41 -10.498 -2.516 -8.120 1.00 0.00 C ATOM 658 CD GLU A 41 -11.582 -1.945 -9.014 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.716 -2.469 -8.981 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.297 -0.974 -9.746 1.00 0.00 O ATOM 0 H GLU A 41 -8.312 -3.503 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.615 -5.860 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.671 -4.308 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.693 -4.158 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.484 -1.968 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.527 -2.365 -8.591 1.00 0.00 H new ATOM 667 N MET A 42 -9.972 -4.030 -10.706 1.00 0.00 N ATOM 668 CA MET A 42 -10.246 -4.069 -12.150 1.00 0.00 C ATOM 669 C MET A 42 -10.737 -5.441 -12.618 1.00 0.00 C ATOM 670 O MET A 42 -11.934 -5.649 -12.815 1.00 0.00 O ATOM 671 CB MET A 42 -8.987 -3.669 -12.929 1.00 0.00 C ATOM 672 CG MET A 42 -9.209 -2.509 -13.883 1.00 0.00 C ATOM 673 SD MET A 42 -7.773 -2.177 -14.921 1.00 0.00 S ATOM 674 CE MET A 42 -7.811 -3.595 -16.015 1.00 0.00 C ATOM 0 H MET A 42 -9.817 -3.089 -10.344 1.00 0.00 H new ATOM 0 HA MET A 42 -11.048 -3.357 -12.347 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.201 -3.403 -12.222 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.630 -4.530 -13.493 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.069 -2.725 -14.517 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.453 -1.614 -13.310 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.191 -3.397 -16.890 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.428 -4.470 -15.490 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.837 -3.783 -16.332 1.00 0.00 H new ATOM 684 N GLY A 43 -9.803 -6.371 -12.791 1.00 0.00 N ATOM 685 CA GLY A 43 -10.158 -7.707 -13.229 1.00 0.00 C ATOM 686 C GLY A 43 -8.949 -8.596 -13.413 1.00 0.00 C ATOM 687 O GLY A 43 -8.917 -9.442 -14.307 1.00 0.00 O ATOM 0 H GLY A 43 -8.806 -6.222 -12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.830 -8.159 -12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.705 -7.644 -14.170 1.00 0.00 H new ATOM 691 N GLU A 44 -7.957 -8.396 -12.567 1.00 0.00 N ATOM 692 CA GLU A 44 -6.727 -9.178 -12.632 1.00 0.00 C ATOM 693 C GLU A 44 -6.825 -10.429 -11.766 1.00 0.00 C ATOM 694 O GLU A 44 -7.877 -10.726 -11.200 1.00 0.00 O ATOM 695 CB GLU A 44 -5.536 -8.326 -12.193 1.00 0.00 C ATOM 696 CG GLU A 44 -4.781 -7.693 -13.350 1.00 0.00 C ATOM 697 CD GLU A 44 -5.192 -6.256 -13.598 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.411 -5.980 -13.607 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.297 -5.405 -13.783 1.00 0.00 O ATOM 0 H GLU A 44 -7.974 -7.698 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.580 -9.491 -13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.889 -7.539 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.849 -8.946 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.711 -7.731 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.953 -8.277 -14.254 1.00 0.00 H new ATOM 706 N THR A 45 -5.717 -11.160 -11.666 1.00 0.00 N ATOM 707 CA THR A 45 -5.672 -12.379 -10.868 1.00 0.00 C ATOM 708 C THR A 45 -5.084 -12.092 -9.490 1.00 0.00 C ATOM 709 O THR A 45 -4.316 -11.148 -9.324 1.00 0.00 O ATOM 710 CB THR A 45 -4.836 -13.448 -11.583 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.459 -13.010 -12.877 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.557 -14.769 -11.741 1.00 0.00 C ATOM 0 H THR A 45 -4.838 -10.927 -12.129 1.00 0.00 H new ATOM 0 HA THR A 45 -6.690 -12.749 -10.743 1.00 0.00 H new ATOM 0 HB THR A 45 -3.964 -13.601 -10.947 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.066 -13.758 -13.374 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.908 -15.479 -12.254 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.817 -15.161 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.465 -14.620 -12.325 1.00 0.00 H new ATOM 720 N PRO A 46 -5.430 -12.905 -8.478 1.00 0.00 N ATOM 721 CA PRO A 46 -4.926 -12.733 -7.114 1.00 0.00 C ATOM 722 C PRO A 46 -3.428 -12.436 -7.077 1.00 0.00 C ATOM 723 O PRO A 46 -2.932 -11.824 -6.132 1.00 0.00 O ATOM 724 CB PRO A 46 -5.228 -14.084 -6.439 1.00 0.00 C ATOM 725 CG PRO A 46 -5.769 -14.971 -7.517 1.00 0.00 C ATOM 726 CD PRO A 46 -6.328 -14.058 -8.565 1.00 0.00 C ATOM 0 HA PRO A 46 -5.393 -11.883 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.327 -14.510 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.951 -13.964 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.984 -15.605 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.541 -15.634 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.310 -14.514 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.363 -13.785 -8.358 1.00 0.00 H new ATOM 734 N GLU A 47 -2.711 -12.875 -8.108 1.00 0.00 N ATOM 735 CA GLU A 47 -1.271 -12.655 -8.184 1.00 0.00 C ATOM 736 C GLU A 47 -0.927 -11.543 -9.175 1.00 0.00 C ATOM 737 O GLU A 47 -0.025 -10.743 -8.931 1.00 0.00 O ATOM 738 CB GLU A 47 -0.559 -13.948 -8.586 1.00 0.00 C ATOM 739 CG GLU A 47 -0.008 -14.732 -7.406 1.00 0.00 C ATOM 740 CD GLU A 47 -1.059 -15.600 -6.742 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.320 -16.709 -7.254 1.00 0.00 O ATOM 742 OE2 GLU A 47 -1.619 -15.172 -5.711 1.00 0.00 O ATOM 0 H GLU A 47 -3.103 -13.384 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.930 -12.346 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.255 -14.580 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.259 -13.706 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.816 -15.360 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.401 -14.038 -6.672 1.00 0.00 H new ATOM 749 N GLN A 48 -1.645 -11.499 -10.295 1.00 0.00 N ATOM 750 CA GLN A 48 -1.402 -10.487 -11.319 1.00 0.00 C ATOM 751 C GLN A 48 -2.048 -9.152 -10.955 1.00 0.00 C ATOM 752 O GLN A 48 -1.772 -8.131 -11.585 1.00 0.00 O ATOM 753 CB GLN A 48 -1.927 -10.967 -12.672 1.00 0.00 C ATOM 754 CG GLN A 48 -1.250 -12.233 -13.174 1.00 0.00 C ATOM 755 CD GLN A 48 -0.892 -12.159 -14.645 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.427 -11.336 -15.386 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.020 -13.024 -15.076 1.00 0.00 N ATOM 0 H GLN A 48 -2.398 -12.151 -10.516 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.325 -10.333 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.999 -11.145 -12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.789 -10.175 -13.408 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.346 -12.412 -12.592 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.910 -13.084 -13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.438 -13.690 -14.426 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.302 -13.022 -16.056 1.00 0.00 H new ATOM 766 N ALA A 49 -2.907 -9.160 -9.941 1.00 0.00 N ATOM 767 CA ALA A 49 -3.582 -7.943 -9.507 1.00 0.00 C ATOM 768 C ALA A 49 -2.573 -6.890 -9.075 1.00 0.00 C ATOM 769 O ALA A 49 -2.602 -5.757 -9.554 1.00 0.00 O ATOM 770 CB ALA A 49 -4.550 -8.248 -8.375 1.00 0.00 C ATOM 0 H ALA A 49 -3.151 -9.993 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.147 -7.547 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.046 -7.329 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.297 -8.964 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.003 -8.670 -7.532 1.00 0.00 H new ATOM 776 N VAL A 50 -1.678 -7.270 -8.171 1.00 0.00 N ATOM 777 CA VAL A 50 -0.658 -6.352 -7.681 1.00 0.00 C ATOM 778 C VAL A 50 0.477 -6.204 -8.689 1.00 0.00 C ATOM 779 O VAL A 50 0.911 -5.096 -8.989 1.00 0.00 O ATOM 780 CB VAL A 50 -0.080 -6.804 -6.316 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.168 -7.401 -5.435 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.064 -7.796 -6.501 1.00 0.00 C ATOM 0 H VAL A 50 -1.638 -8.204 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.146 -5.387 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 50 0.318 -5.920 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.736 -7.710 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.942 -6.655 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.606 -8.266 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.448 -8.094 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.700 -8.676 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.862 -7.328 -7.078 1.00 0.00 H new ATOM 792 N VAL A 51 0.961 -7.335 -9.199 1.00 0.00 N ATOM 793 CA VAL A 51 2.054 -7.337 -10.161 1.00 0.00 C ATOM 794 C VAL A 51 1.732 -6.459 -11.359 1.00 0.00 C ATOM 795 O VAL A 51 2.607 -5.782 -11.900 1.00 0.00 O ATOM 796 CB VAL A 51 2.376 -8.765 -10.646 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.603 -8.765 -11.547 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.579 -9.700 -9.462 1.00 0.00 C ATOM 0 H VAL A 51 0.610 -8.262 -8.959 1.00 0.00 H new ATOM 0 HA VAL A 51 2.928 -6.935 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 51 1.528 -9.127 -11.227 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.812 -9.783 -11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.417 -8.133 -12.415 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.460 -8.380 -10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.805 -10.703 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.407 -9.340 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.670 -9.728 -8.861 1.00 0.00 H new ATOM 808 N ARG A 52 0.473 -6.474 -11.772 1.00 0.00 N ATOM 809 CA ARG A 52 0.044 -5.674 -12.907 1.00 0.00 C ATOM 810 C ARG A 52 -0.142 -4.214 -12.511 1.00 0.00 C ATOM 811 O ARG A 52 0.398 -3.313 -13.152 1.00 0.00 O ATOM 812 CB ARG A 52 -1.254 -6.230 -13.496 1.00 0.00 C ATOM 813 CG ARG A 52 -1.594 -5.663 -14.865 1.00 0.00 C ATOM 814 CD ARG A 52 -0.599 -6.118 -15.921 1.00 0.00 C ATOM 815 NE ARG A 52 -1.140 -7.184 -16.758 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.986 -6.979 -17.765 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.390 -5.750 -18.063 1.00 0.00 N ATOM 818 NH2 ARG A 52 -2.430 -8.006 -18.478 1.00 0.00 N ATOM 0 H ARG A 52 -0.266 -7.029 -11.340 1.00 0.00 H new ATOM 0 HA ARG A 52 0.825 -5.725 -13.666 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.174 -7.314 -13.571 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.074 -6.018 -12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.598 -5.977 -15.151 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.602 -4.574 -14.817 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.322 -5.270 -16.548 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.312 -6.466 -15.435 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.853 -8.142 -16.560 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.052 -4.956 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.038 -5.600 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.123 -8.953 -18.254 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.078 -7.849 -19.250 1.00 0.00 H new ATOM 832 N GLU A 53 -0.909 -3.987 -11.450 1.00 0.00 N ATOM 833 CA GLU A 53 -1.163 -2.635 -10.972 1.00 0.00 C ATOM 834 C GLU A 53 0.115 -1.992 -10.447 1.00 0.00 C ATOM 835 O GLU A 53 0.228 -0.769 -10.405 1.00 0.00 O ATOM 836 CB GLU A 53 -2.230 -2.642 -9.875 1.00 0.00 C ATOM 837 CG GLU A 53 -3.625 -2.306 -10.378 1.00 0.00 C ATOM 838 CD GLU A 53 -3.676 -0.993 -11.134 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.385 -0.994 -12.349 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.012 0.036 -10.512 1.00 0.00 O ATOM 0 H GLU A 53 -1.364 -4.720 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.526 -2.047 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.250 -3.626 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.949 -1.926 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.975 -3.108 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.310 -2.260 -9.532 1.00 0.00 H new ATOM 847 N LEU A 54 1.081 -2.818 -10.047 1.00 0.00 N ATOM 848 CA LEU A 54 2.343 -2.302 -9.529 1.00 0.00 C ATOM 849 C LEU A 54 2.946 -1.312 -10.509 1.00 0.00 C ATOM 850 O LEU A 54 3.389 -0.237 -10.121 1.00 0.00 O ATOM 851 CB LEU A 54 3.329 -3.440 -9.258 1.00 0.00 C ATOM 852 CG LEU A 54 3.830 -3.522 -7.817 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.660 -3.536 -6.843 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.703 -4.752 -7.630 1.00 0.00 C ATOM 0 H LEU A 54 1.014 -3.835 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 54 2.141 -1.792 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.852 -4.385 -9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.187 -3.325 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 54 4.433 -2.638 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.037 -3.595 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.076 -2.623 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.028 -4.400 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.052 -4.797 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.124 -5.647 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.560 -4.695 -8.301 1.00 0.00 H new ATOM 866 N GLN A 55 2.932 -1.670 -11.785 1.00 0.00 N ATOM 867 CA GLN A 55 3.455 -0.789 -12.820 1.00 0.00 C ATOM 868 C GLN A 55 2.652 0.506 -12.831 1.00 0.00 C ATOM 869 O GLN A 55 3.192 1.587 -13.069 1.00 0.00 O ATOM 870 CB GLN A 55 3.383 -1.475 -14.189 1.00 0.00 C ATOM 871 CG GLN A 55 4.743 -1.697 -14.829 1.00 0.00 C ATOM 872 CD GLN A 55 4.775 -1.290 -16.289 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.214 -1.971 -17.148 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.434 -0.174 -16.578 1.00 0.00 N ATOM 0 H GLN A 55 2.567 -2.559 -12.127 1.00 0.00 H new ATOM 0 HA GLN A 55 4.500 -0.562 -12.608 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.881 -2.436 -14.079 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.770 -0.870 -14.858 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.495 -1.129 -14.281 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.013 -2.750 -14.743 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.884 0.359 -15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.490 0.150 -17.544 1.00 0.00 H new ATOM 883 N GLU A 56 1.359 0.379 -12.551 1.00 0.00 N ATOM 884 CA GLU A 56 0.465 1.528 -12.503 1.00 0.00 C ATOM 885 C GLU A 56 0.647 2.301 -11.203 1.00 0.00 C ATOM 886 O GLU A 56 0.327 3.484 -11.129 1.00 0.00 O ATOM 887 CB GLU A 56 -0.990 1.073 -12.623 1.00 0.00 C ATOM 888 CG GLU A 56 -1.869 2.035 -13.407 1.00 0.00 C ATOM 889 CD GLU A 56 -3.324 1.975 -12.981 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.675 2.621 -11.969 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.113 1.282 -13.658 1.00 0.00 O ATOM 0 H GLU A 56 0.906 -0.513 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 56 0.711 2.181 -13.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.017 0.095 -13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.406 0.948 -11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.497 3.051 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.796 1.804 -14.470 1.00 0.00 H new ATOM 898 N GLU A 57 1.141 1.618 -10.172 1.00 0.00 N ATOM 899 CA GLU A 57 1.343 2.245 -8.872 1.00 0.00 C ATOM 900 C GLU A 57 2.826 2.452 -8.563 1.00 0.00 C ATOM 901 O GLU A 57 3.186 2.876 -7.465 1.00 0.00 O ATOM 902 CB GLU A 57 0.686 1.405 -7.777 1.00 0.00 C ATOM 903 CG GLU A 57 -0.825 1.563 -7.722 1.00 0.00 C ATOM 904 CD GLU A 57 -1.480 1.418 -9.082 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.805 0.275 -9.465 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.667 2.447 -9.763 1.00 0.00 O ATOM 0 H GLU A 57 1.407 0.634 -10.213 1.00 0.00 H new ATOM 0 HA GLU A 57 0.875 3.229 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.929 0.355 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.109 1.684 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.239 0.818 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.069 2.542 -7.309 1.00 0.00 H new ATOM 913 N VAL A 58 3.681 2.160 -9.539 1.00 0.00 N ATOM 914 CA VAL A 58 5.118 2.323 -9.376 1.00 0.00 C ATOM 915 C VAL A 58 5.704 3.020 -10.593 1.00 0.00 C ATOM 916 O VAL A 58 6.505 3.945 -10.469 1.00 0.00 O ATOM 917 CB VAL A 58 5.810 0.952 -9.175 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.307 1.030 -9.442 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.545 0.425 -7.774 1.00 0.00 C ATOM 0 H VAL A 58 3.400 1.808 -10.454 1.00 0.00 H new ATOM 0 HA VAL A 58 5.294 2.933 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 58 5.384 0.258 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.755 0.048 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.477 1.352 -10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.762 1.746 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.038 -0.539 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.935 1.130 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.472 0.305 -7.627 1.00 0.00 H new ATOM 929 N GLY A 59 5.277 2.576 -11.771 1.00 0.00 N ATOM 930 CA GLY A 59 5.741 3.164 -13.012 1.00 0.00 C ATOM 931 C GLY A 59 7.210 2.923 -13.297 1.00 0.00 C ATOM 932 O GLY A 59 7.599 2.684 -14.440 1.00 0.00 O ATOM 0 H GLY A 59 4.611 1.812 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.151 2.762 -13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.558 4.238 -12.984 1.00 0.00 H new ATOM 936 N ILE A 60 8.021 2.993 -12.262 1.00 0.00 N ATOM 937 CA ILE A 60 9.452 2.791 -12.385 1.00 0.00 C ATOM 938 C ILE A 60 9.811 1.321 -12.242 1.00 0.00 C ATOM 939 O ILE A 60 8.936 0.460 -12.156 1.00 0.00 O ATOM 940 CB ILE A 60 10.243 3.592 -11.327 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.472 3.721 -10.012 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.630 4.960 -11.861 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.360 3.612 -8.790 1.00 0.00 C ATOM 0 H ILE A 60 7.708 3.191 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 60 9.726 3.147 -13.378 1.00 0.00 H new ATOM 0 HB ILE A 60 11.155 3.033 -11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.955 4.680 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.707 2.946 -9.968 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.186 5.505 -11.098 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.252 4.842 -12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.730 5.517 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.754 3.712 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.858 2.642 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.109 4.404 -8.813 1.00 0.00 H new ATOM 955 N THR A 61 11.109 1.047 -12.225 1.00 0.00 N ATOM 956 CA THR A 61 11.613 -0.295 -12.097 1.00 0.00 C ATOM 957 C THR A 61 12.308 -0.471 -10.755 1.00 0.00 C ATOM 958 O THR A 61 13.507 -0.216 -10.636 1.00 0.00 O ATOM 959 CB THR A 61 12.608 -0.519 -13.213 1.00 0.00 C ATOM 960 OG1 THR A 61 13.376 0.652 -13.431 1.00 0.00 O ATOM 961 CG2 THR A 61 11.959 -0.888 -14.525 1.00 0.00 C ATOM 0 H THR A 61 11.836 1.758 -12.300 1.00 0.00 H new ATOM 0 HA THR A 61 10.794 -1.011 -12.156 1.00 0.00 H new ATOM 0 HB THR A 61 13.231 -1.352 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.807 0.921 -12.593 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.728 -1.035 -15.283 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.390 -1.809 -14.403 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.290 -0.087 -14.838 1.00 0.00 H new ATOM 969 N PRO A 62 11.568 -0.860 -9.707 1.00 0.00 N ATOM 970 CA PRO A 62 12.109 -1.007 -8.375 1.00 0.00 C ATOM 971 C PRO A 62 12.242 -2.441 -7.901 1.00 0.00 C ATOM 972 O PRO A 62 11.468 -3.313 -8.297 1.00 0.00 O ATOM 973 CB PRO A 62 11.001 -0.338 -7.590 1.00 0.00 C ATOM 974 CG PRO A 62 9.761 -0.869 -8.232 1.00 0.00 C ATOM 975 CD PRO A 62 10.117 -1.121 -9.685 1.00 0.00 C ATOM 0 HA PRO A 62 13.119 -0.608 -8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.047 -0.592 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.057 0.748 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.433 -1.788 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.942 -0.154 -8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.883 -2.141 -9.989 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.575 -0.456 -10.357 1.00 0.00 H new ATOM 983 N GLN A 63 13.173 -2.662 -6.983 1.00 0.00 N ATOM 984 CA GLN A 63 13.328 -3.970 -6.390 1.00 0.00 C ATOM 985 C GLN A 63 12.177 -4.129 -5.419 1.00 0.00 C ATOM 986 O GLN A 63 12.314 -3.901 -4.219 1.00 0.00 O ATOM 987 CB GLN A 63 14.660 -4.063 -5.653 1.00 0.00 C ATOM 988 CG GLN A 63 15.858 -4.163 -6.582 1.00 0.00 C ATOM 989 CD GLN A 63 17.178 -4.135 -5.837 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.216 -4.268 -4.613 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.269 -3.961 -6.573 1.00 0.00 N ATOM 0 H GLN A 63 13.824 -1.956 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 63 13.322 -4.754 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.776 -3.186 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.644 -4.934 -4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.790 -5.086 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.830 -3.339 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.190 -3.855 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.186 -3.933 -6.127 1.00 0.00 H new ATOM 1000 N HIS A 64 11.026 -4.459 -5.970 1.00 0.00 N ATOM 1001 CA HIS A 64 9.809 -4.577 -5.189 1.00 0.00 C ATOM 1002 C HIS A 64 9.152 -5.929 -5.403 1.00 0.00 C ATOM 1003 O HIS A 64 8.813 -6.296 -6.528 1.00 0.00 O ATOM 1004 CB HIS A 64 8.877 -3.436 -5.606 1.00 0.00 C ATOM 1005 CG HIS A 64 7.426 -3.628 -5.264 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.974 -4.530 -4.326 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.321 -3.017 -5.752 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.657 -4.468 -4.255 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.235 -3.555 -5.108 1.00 0.00 N ATOM 0 H HIS A 64 10.907 -4.652 -6.965 1.00 0.00 H new ATOM 0 HA HIS A 64 10.035 -4.506 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.224 -2.516 -5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.963 -3.295 -6.683 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.565 -5.150 -3.772 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.298 -2.247 -6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.031 -5.064 -3.608 1.00 0.00 H new ATOM 1018 N PHE A 65 8.983 -6.673 -4.314 1.00 0.00 N ATOM 1019 CA PHE A 65 8.379 -7.990 -4.389 1.00 0.00 C ATOM 1020 C PHE A 65 8.307 -8.650 -3.014 1.00 0.00 C ATOM 1021 O PHE A 65 8.883 -8.155 -2.048 1.00 0.00 O ATOM 1022 CB PHE A 65 9.207 -8.854 -5.316 1.00 0.00 C ATOM 1023 CG PHE A 65 8.422 -9.928 -6.014 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.289 -9.607 -6.743 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.817 -11.255 -5.944 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.562 -10.588 -7.390 1.00 0.00 C ATOM 1027 CE2 PHE A 65 8.094 -12.240 -6.590 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.965 -11.907 -7.313 1.00 0.00 C ATOM 0 H PHE A 65 9.256 -6.384 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 65 7.362 -7.884 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.678 -8.218 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 65 10.009 -9.319 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.970 -8.577 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.698 -11.522 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.680 -10.324 -7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.412 -13.270 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.399 -12.676 -7.817 1.00 0.00 H new ATOM 1038 N SER A 66 7.605 -9.785 -2.950 1.00 0.00 N ATOM 1039 CA SER A 66 7.443 -10.550 -1.709 1.00 0.00 C ATOM 1040 C SER A 66 6.171 -10.136 -0.980 1.00 0.00 C ATOM 1041 O SER A 66 5.754 -8.980 -1.045 1.00 0.00 O ATOM 1042 CB SER A 66 8.655 -10.389 -0.784 1.00 0.00 C ATOM 1043 OG SER A 66 8.830 -11.532 0.033 1.00 0.00 O ATOM 0 H SER A 66 7.134 -10.199 -3.754 1.00 0.00 H new ATOM 0 HA SER A 66 7.366 -11.602 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.552 -10.224 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.523 -9.507 -0.157 1.00 0.00 H new ATOM 0 HG SER A 66 9.610 -11.404 0.612 1.00 0.00 H new ATOM 1049 N LEU A 67 5.554 -11.092 -0.294 1.00 0.00 N ATOM 1050 CA LEU A 67 4.323 -10.833 0.443 1.00 0.00 C ATOM 1051 C LEU A 67 4.605 -10.545 1.914 1.00 0.00 C ATOM 1052 O LEU A 67 5.264 -11.329 2.597 1.00 0.00 O ATOM 1053 CB LEU A 67 3.374 -12.027 0.318 1.00 0.00 C ATOM 1054 CG LEU A 67 1.895 -11.669 0.154 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.444 -10.737 1.268 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.652 -11.034 -1.207 1.00 0.00 C ATOM 0 H LEU A 67 5.887 -12.054 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 67 3.853 -9.950 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.683 -12.628 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.484 -12.652 1.204 1.00 0.00 H new ATOM 0 HG LEU A 67 1.308 -12.585 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.390 -10.494 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.584 -11.227 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.034 -9.821 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.596 -10.785 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.249 -10.127 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.937 -11.735 -1.992 1.00 0.00 H new ATOM 1068 N PHE A 68 4.092 -9.418 2.397 1.00 0.00 N ATOM 1069 CA PHE A 68 4.275 -9.025 3.789 1.00 0.00 C ATOM 1070 C PHE A 68 3.112 -9.538 4.636 1.00 0.00 C ATOM 1071 O PHE A 68 3.312 -10.187 5.662 1.00 0.00 O ATOM 1072 CB PHE A 68 4.399 -7.493 3.888 1.00 0.00 C ATOM 1073 CG PHE A 68 3.741 -6.878 5.097 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.370 -6.675 5.129 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.494 -6.496 6.195 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.762 -6.105 6.231 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.892 -5.925 7.301 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.524 -5.728 7.319 1.00 0.00 C ATOM 0 H PHE A 68 3.545 -8.759 1.843 1.00 0.00 H new ATOM 0 HA PHE A 68 5.194 -9.469 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.456 -7.229 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.965 -7.050 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.769 -6.967 4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.564 -6.646 6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.693 -5.955 6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.491 -5.633 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.053 -5.281 8.181 1.00 0.00 H new ATOM 1088 N GLU A 69 1.898 -9.238 4.190 1.00 0.00 N ATOM 1089 CA GLU A 69 0.692 -9.660 4.891 1.00 0.00 C ATOM 1090 C GLU A 69 -0.542 -9.357 4.050 1.00 0.00 C ATOM 1091 O GLU A 69 -0.479 -8.575 3.101 1.00 0.00 O ATOM 1092 CB GLU A 69 0.588 -8.957 6.245 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.008 -9.828 7.339 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.236 -9.069 8.631 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.661 -8.296 9.030 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.309 -9.247 9.244 1.00 0.00 O ATOM 0 H GLU A 69 1.723 -8.701 3.341 1.00 0.00 H new ATOM 0 HA GLU A 69 0.749 -10.736 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.581 -8.631 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.022 -8.060 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.955 -10.241 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.657 -10.671 7.530 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.663 -9.973 4.397 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.903 -9.753 3.665 1.00 0.00 C ATOM 1105 C LYS A 70 -4.101 -9.752 4.611 1.00 0.00 C ATOM 1106 O LYS A 70 -4.241 -10.641 5.451 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.087 -10.828 2.592 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.018 -12.246 3.133 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.066 -13.141 2.491 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.856 -13.257 0.990 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.142 -13.430 0.260 1.00 0.00 N ATOM 0 H LYS A 70 -1.740 -10.626 5.177 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.841 -8.777 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.050 -10.681 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.320 -10.702 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.026 -12.658 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.163 -12.232 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.026 -14.132 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.060 -12.740 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.349 -12.364 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.203 -14.104 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.084 -12.955 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.326 -14.443 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.916 -13.012 0.816 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.962 -8.750 4.468 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.145 -8.634 5.306 1.00 0.00 C ATOM 1127 C LEU A 71 -7.409 -8.596 4.451 1.00 0.00 C ATOM 1128 O LEU A 71 -7.511 -7.808 3.511 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.051 -7.373 6.171 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.320 -7.014 6.944 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.255 -7.562 8.361 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.525 -5.507 6.963 1.00 0.00 C ATOM 0 H LEU A 71 -4.860 -8.006 3.777 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.198 -9.507 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.236 -7.501 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.786 -6.532 5.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.171 -7.470 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.167 -7.297 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.157 -8.647 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.395 -7.136 8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.433 -5.270 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.671 -5.030 7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.618 -5.140 5.941 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.369 -9.455 4.781 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.622 -9.522 4.044 1.00 0.00 C ATOM 1146 C GLU A 72 -10.800 -9.159 4.946 1.00 0.00 C ATOM 1147 O GLU A 72 -11.153 -9.908 5.857 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.807 -10.928 3.461 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.237 -11.246 3.060 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.322 -12.349 2.022 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.763 -13.439 2.267 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.946 -12.122 0.965 1.00 0.00 O ATOM 0 H GLU A 72 -8.301 -10.115 5.556 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.587 -8.801 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.163 -11.036 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.475 -11.662 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.801 -11.541 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.709 -10.345 2.667 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.406 -8.005 4.682 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.547 -7.542 5.464 1.00 0.00 C ATOM 1161 C TYR A 73 -13.584 -6.880 4.564 1.00 0.00 C ATOM 1162 O TYR A 73 -13.238 -6.240 3.571 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.089 -6.560 6.544 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.413 -5.324 5.994 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.144 -5.396 5.432 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.043 -4.088 6.036 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.522 -4.269 4.929 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.428 -2.956 5.535 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.168 -3.052 4.983 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.552 -1.928 4.482 1.00 0.00 O ATOM 0 H TYR A 73 -11.125 -7.373 3.932 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.005 -8.407 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.952 -6.258 7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.401 -7.070 7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.636 -6.348 5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.030 -4.009 6.467 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.535 -4.341 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.932 -2.001 5.576 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.141 -1.153 4.597 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.857 -7.037 4.912 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.938 -6.452 4.125 1.00 0.00 C ATOM 1182 C GLU A 74 -16.630 -5.328 4.887 1.00 0.00 C ATOM 1183 O GLU A 74 -16.995 -5.480 6.053 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.960 -7.521 3.733 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.489 -8.323 4.910 1.00 0.00 C ATOM 1186 CD GLU A 74 -18.262 -9.552 4.478 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.940 -9.489 3.430 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.191 -10.579 5.185 1.00 0.00 O ATOM 0 H GLU A 74 -15.165 -7.562 5.730 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.497 -6.034 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.797 -7.042 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.502 -8.203 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.655 -8.627 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.134 -7.688 5.517 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.811 -4.202 4.208 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.461 -3.042 4.786 1.00 0.00 C ATOM 1197 C PHE A 75 -18.981 -3.189 4.714 1.00 0.00 C ATOM 1198 O PHE A 75 -19.491 -4.018 3.962 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.014 -1.782 4.045 1.00 0.00 C ATOM 1200 CG PHE A 75 -15.876 -1.054 4.709 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.838 -0.896 6.086 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -14.844 -0.527 3.949 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.791 -0.225 6.691 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -13.795 0.144 4.549 1.00 0.00 C ATOM 1205 CZ PHE A 75 -13.768 0.294 5.922 1.00 0.00 C ATOM 0 H PHE A 75 -16.510 -4.072 3.242 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.175 -2.961 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.716 -2.054 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -17.863 -1.104 3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.634 -1.301 6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.860 -0.642 2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.773 -0.107 7.764 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.997 0.551 3.945 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.948 0.816 6.393 1.00 0.00 H new ATOM 1215 N PRO A 76 -19.723 -2.387 5.498 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.187 -2.430 5.521 1.00 0.00 C ATOM 1217 C PRO A 76 -21.788 -2.287 4.128 1.00 0.00 C ATOM 1218 O PRO A 76 -22.188 -1.196 3.721 1.00 0.00 O ATOM 1219 CB PRO A 76 -21.584 -1.239 6.407 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.345 -0.419 6.552 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.196 -1.372 6.411 1.00 0.00 C ATOM 0 HA PRO A 76 -21.555 -3.385 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.386 -0.660 5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -21.947 -1.576 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.301 0.359 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.320 0.081 7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.312 -0.882 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -18.908 -1.802 7.370 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.837 -3.405 3.410 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.379 -3.458 2.047 1.00 0.00 C ATOM 1231 C ASP A 77 -21.287 -3.221 1.004 1.00 0.00 C ATOM 1232 O ASP A 77 -21.579 -3.028 -0.176 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.511 -2.442 1.857 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.427 -2.805 0.705 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.005 -3.598 -0.162 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.567 -2.295 0.669 1.00 0.00 O ATOM 0 H ASP A 77 -21.502 -4.305 3.754 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.784 -4.460 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.095 -2.377 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.084 -1.455 1.680 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.031 -3.246 1.441 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.903 -3.041 0.539 1.00 0.00 C ATOM 1243 C ARG A 78 -17.782 -4.031 0.843 1.00 0.00 C ATOM 1244 O ARG A 78 -16.941 -3.781 1.706 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.384 -1.605 0.654 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.132 -0.942 -0.690 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.628 0.483 -0.522 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.346 0.535 0.178 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.521 1.579 0.137 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.839 2.659 -0.563 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.374 1.542 0.801 1.00 0.00 N ATOM 0 H ARG A 78 -19.769 -3.406 2.414 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.246 -3.211 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.105 -1.010 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.458 -1.607 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.402 -1.524 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.053 -0.937 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.524 0.948 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.366 1.065 0.030 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.067 -0.276 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.721 2.694 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.202 3.455 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.125 0.714 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.741 2.341 0.770 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.770 -5.151 0.131 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.748 -6.171 0.332 1.00 0.00 C ATOM 1267 C HIS A 79 -15.434 -5.739 -0.304 1.00 0.00 C ATOM 1268 O HIS A 79 -15.367 -5.509 -1.511 1.00 0.00 O ATOM 1269 CB HIS A 79 -17.202 -7.506 -0.260 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.378 -8.672 0.188 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.042 -8.793 0.377 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -16.919 -9.902 0.500 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -14.805 -10.079 0.796 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -15.953 -10.727 0.862 1.00 0.00 N flip ATOM 0 H HIS A 79 -18.455 -5.376 -0.590 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.595 -6.297 1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.242 -7.680 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.166 -7.443 -1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.969 -10.152 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.836 -10.493 1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -16.074 -11.700 1.145 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.389 -5.620 0.510 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.090 -5.204 0.004 1.00 0.00 C ATOM 1285 C ILE A 80 -11.979 -6.168 0.408 1.00 0.00 C ATOM 1286 O ILE A 80 -12.012 -6.759 1.488 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.724 -3.777 0.474 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -12.211 -3.793 1.917 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.922 -2.846 0.342 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.925 -2.416 2.478 1.00 0.00 C ATOM 0 H ILE A 80 -14.417 -5.804 1.513 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.176 -5.210 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.925 -3.403 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.948 -4.287 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.300 -4.390 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.645 -1.847 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.237 -2.804 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -14.743 -3.220 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.566 -2.508 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.165 -1.926 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.838 -1.821 2.466 1.00 0.00 H new ATOM 1302 N THR A 81 -10.993 -6.307 -0.469 1.00 0.00 N ATOM 1303 CA THR A 81 -9.857 -7.176 -0.225 1.00 0.00 C ATOM 1304 C THR A 81 -8.591 -6.339 -0.082 1.00 0.00 C ATOM 1305 O THR A 81 -8.204 -5.629 -1.010 1.00 0.00 O ATOM 1306 CB THR A 81 -9.704 -8.159 -1.383 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.453 -7.730 -2.504 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.151 -9.563 -1.046 1.00 0.00 C ATOM 0 H THR A 81 -10.961 -5.821 -1.365 1.00 0.00 H new ATOM 0 HA THR A 81 -10.021 -7.734 0.697 1.00 0.00 H new ATOM 0 HB THR A 81 -8.636 -8.180 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.395 -7.971 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.014 -10.207 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.558 -9.944 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.204 -9.552 -0.765 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.953 -6.413 1.079 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.738 -5.644 1.318 1.00 0.00 C ATOM 1318 C LEU A 82 -5.505 -6.539 1.302 1.00 0.00 C ATOM 1319 O LEU A 82 -5.335 -7.395 2.170 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.837 -4.915 2.659 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.671 -3.981 2.978 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.827 -2.663 2.237 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.577 -3.746 4.477 1.00 0.00 C ATOM 0 H LEU A 82 -8.253 -6.992 1.864 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.636 -4.914 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.760 -4.336 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.915 -5.657 3.453 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.747 -4.453 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.988 -2.010 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.848 -2.849 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.758 -2.183 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.742 -3.079 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.502 -3.293 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.419 -4.697 4.985 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.645 -6.329 0.309 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.422 -7.110 0.181 1.00 0.00 C ATOM 1337 C TRP A 83 -2.204 -6.237 0.425 1.00 0.00 C ATOM 1338 O TRP A 83 -1.995 -5.235 -0.259 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.324 -7.748 -1.208 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.419 -8.727 -1.488 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.719 -8.618 -1.106 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.311 -9.962 -2.205 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.434 -9.704 -1.541 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.591 -10.546 -2.220 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.258 -10.630 -2.838 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.847 -11.765 -2.841 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.513 -11.840 -3.455 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.799 -12.398 -3.453 1.00 0.00 C ATOM 0 H TRP A 83 -4.774 -5.625 -0.417 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.452 -7.901 0.931 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.347 -6.962 -1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.362 -8.253 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.130 -7.794 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.430 -9.860 -1.385 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.264 -10.208 -2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.837 -12.196 -2.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.708 -12.365 -3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.966 -13.345 -3.944 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.399 -6.629 1.397 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.188 -5.884 1.728 1.00 0.00 C ATOM 1361 C PHE A 84 1.053 -6.636 1.250 1.00 0.00 C ATOM 1362 O PHE A 84 1.403 -7.684 1.792 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.103 -5.626 3.238 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.874 -4.414 3.700 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.904 -3.889 2.934 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.567 -3.802 4.908 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.610 -2.781 3.361 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.270 -2.694 5.339 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.293 -2.183 4.565 1.00 0.00 C ATOM 0 H PHE A 84 -1.558 -7.456 1.972 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.232 -4.923 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.475 -6.503 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.944 -5.505 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.157 -4.352 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.232 -4.197 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.409 -2.383 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.020 -2.228 6.280 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.844 -1.317 4.901 1.00 0.00 H new ATOM 1379 N TRP A 85 1.708 -6.096 0.225 1.00 0.00 N ATOM 1380 CA TRP A 85 2.903 -6.721 -0.336 1.00 0.00 C ATOM 1381 C TRP A 85 4.174 -6.032 0.151 1.00 0.00 C ATOM 1382 O TRP A 85 4.180 -4.831 0.421 1.00 0.00 O ATOM 1383 CB TRP A 85 2.840 -6.701 -1.863 1.00 0.00 C ATOM 1384 CG TRP A 85 1.753 -7.574 -2.413 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.408 -7.410 -2.244 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.916 -8.751 -3.212 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.275 -8.412 -2.892 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.630 -9.247 -3.494 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.027 -9.433 -3.719 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.424 -10.393 -4.258 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.821 -10.570 -4.477 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.528 -11.040 -4.741 1.00 0.00 C ATOM 0 H TRP A 85 1.432 -5.228 -0.234 1.00 0.00 H new ATOM 0 HA TRP A 85 2.933 -7.755 0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.683 -5.677 -2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.799 -7.026 -2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.052 -6.610 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.289 -8.517 -2.920 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.028 -9.078 -3.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.572 -10.758 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.671 -11.105 -4.873 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.400 -11.931 -5.338 1.00 0.00 H new ATOM 1403 N LEU A 86 5.247 -6.810 0.276 1.00 0.00 N ATOM 1404 CA LEU A 86 6.526 -6.289 0.749 1.00 0.00 C ATOM 1405 C LEU A 86 7.417 -5.824 -0.402 1.00 0.00 C ATOM 1406 O LEU A 86 7.511 -6.474 -1.439 1.00 0.00 O ATOM 1407 CB LEU A 86 7.253 -7.354 1.569 1.00 0.00 C ATOM 1408 CG LEU A 86 8.638 -6.951 2.077 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.518 -5.992 3.252 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.440 -8.181 2.472 1.00 0.00 C ATOM 0 H LEU A 86 5.255 -7.806 0.055 1.00 0.00 H new ATOM 0 HA LEU A 86 6.315 -5.422 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.632 -7.617 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.354 -8.252 0.960 1.00 0.00 H new ATOM 0 HG LEU A 86 9.165 -6.441 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.514 -5.716 3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.983 -5.096 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.972 -6.475 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.423 -7.875 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.916 -8.719 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.557 -8.833 1.606 1.00 0.00 H new ATOM 1422 N VAL A 87 8.067 -4.687 -0.192 1.00 0.00 N ATOM 1423 CA VAL A 87 8.972 -4.091 -1.173 1.00 0.00 C ATOM 1424 C VAL A 87 10.331 -3.867 -0.561 1.00 0.00 C ATOM 1425 O VAL A 87 10.426 -3.573 0.631 1.00 0.00 O ATOM 1426 CB VAL A 87 8.459 -2.750 -1.667 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.336 -2.202 -2.782 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.015 -2.886 -2.116 1.00 0.00 C ATOM 0 H VAL A 87 7.982 -4.147 0.669 1.00 0.00 H new ATOM 0 HA VAL A 87 9.034 -4.786 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 87 8.502 -2.035 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.943 -1.241 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.353 -2.070 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.341 -2.901 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.651 -1.921 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.952 -3.615 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.403 -3.219 -1.278 1.00 0.00 H new ATOM 1438 N GLU A 88 11.388 -4.018 -1.343 1.00 0.00 N ATOM 1439 CA GLU A 88 12.715 -3.830 -0.781 1.00 0.00 C ATOM 1440 C GLU A 88 13.464 -2.602 -1.319 1.00 0.00 C ATOM 1441 O GLU A 88 14.263 -2.014 -0.591 1.00 0.00 O ATOM 1442 CB GLU A 88 13.567 -5.086 -0.988 1.00 0.00 C ATOM 1443 CG GLU A 88 12.774 -6.382 -0.925 1.00 0.00 C ATOM 1444 CD GLU A 88 12.294 -6.704 0.477 1.00 0.00 C ATOM 1445 OE1 GLU A 88 11.695 -5.816 1.118 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.518 -7.845 0.933 1.00 0.00 O ATOM 0 H GLU A 88 11.358 -4.261 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 88 12.556 -3.648 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.064 -5.021 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.349 -5.112 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.915 -6.311 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.394 -7.201 -1.290 1.00 0.00 H new ATOM 1453 N ARG A 89 13.248 -2.221 -2.578 1.00 0.00 N ATOM 1454 CA ARG A 89 13.971 -1.076 -3.133 1.00 0.00 C ATOM 1455 C ARG A 89 13.307 -0.553 -4.402 1.00 0.00 C ATOM 1456 O ARG A 89 12.471 -1.230 -4.997 1.00 0.00 O ATOM 1457 CB ARG A 89 15.442 -1.476 -3.378 1.00 0.00 C ATOM 1458 CG ARG A 89 16.041 -1.031 -4.711 1.00 0.00 C ATOM 1459 CD ARG A 89 16.829 0.260 -4.563 1.00 0.00 C ATOM 1460 NE ARG A 89 17.154 0.858 -5.856 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.173 0.466 -6.618 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.962 -0.528 -6.227 1.00 0.00 N ATOM 1463 NH2 ARG A 89 18.404 1.069 -7.777 1.00 0.00 N ATOM 0 H ARG A 89 12.596 -2.674 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 89 13.944 -0.256 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.050 -1.063 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.519 -2.561 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.693 -1.814 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.244 -0.890 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.252 0.970 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.750 0.061 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 89 16.566 1.620 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.789 -0.997 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.741 -0.823 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.801 1.832 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.185 0.769 -8.361 1.00 0.00 H new ATOM 1477 N TRP A 90 13.698 0.651 -4.822 1.00 0.00 N ATOM 1478 CA TRP A 90 13.148 1.242 -6.035 1.00 0.00 C ATOM 1479 C TRP A 90 14.168 2.131 -6.746 1.00 0.00 C ATOM 1480 O TRP A 90 14.830 2.957 -6.118 1.00 0.00 O ATOM 1481 CB TRP A 90 11.868 2.022 -5.723 1.00 0.00 C ATOM 1482 CG TRP A 90 12.088 3.361 -5.097 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.627 4.466 -5.691 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.743 3.746 -3.766 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.638 5.515 -4.807 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.097 5.099 -3.619 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.167 3.077 -2.683 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.890 5.796 -2.437 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 10.962 3.772 -1.506 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.319 5.121 -1.393 1.00 0.00 C ATOM 0 H TRP A 90 14.388 1.229 -4.342 1.00 0.00 H new ATOM 0 HA TRP A 90 12.900 0.427 -6.714 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.307 2.156 -6.648 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.247 1.423 -5.057 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.991 4.508 -6.707 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.991 6.452 -5.002 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.887 2.037 -2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.170 6.835 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.520 3.267 -0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.140 5.639 -0.463 1.00 0.00 H new ATOM 1501 N GLU A 91 14.292 1.954 -8.066 1.00 0.00 N ATOM 1502 CA GLU A 91 15.231 2.744 -8.854 1.00 0.00 C ATOM 1503 C GLU A 91 14.649 4.118 -9.167 1.00 0.00 C ATOM 1504 O GLU A 91 13.446 4.259 -9.384 1.00 0.00 O ATOM 1505 CB GLU A 91 15.578 2.016 -10.153 1.00 0.00 C ATOM 1506 CG GLU A 91 16.308 0.698 -9.938 1.00 0.00 C ATOM 1507 CD GLU A 91 17.689 0.684 -10.565 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.910 1.444 -11.533 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.549 -0.088 -10.091 1.00 0.00 O ATOM 0 H GLU A 91 13.755 1.274 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 91 16.140 2.877 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.660 1.826 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.196 2.667 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.397 0.507 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.715 -0.114 -10.358 1.00 0.00 H new ATOM 1516 N GLY A 92 15.510 5.131 -9.189 1.00 0.00 N ATOM 1517 CA GLY A 92 15.058 6.479 -9.475 1.00 0.00 C ATOM 1518 C GLY A 92 14.033 6.971 -8.472 1.00 0.00 C ATOM 1519 O GLY A 92 14.340 7.131 -7.291 1.00 0.00 O ATOM 0 H GLY A 92 16.511 5.042 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.914 7.154 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.627 6.510 -10.476 1.00 0.00 H new ATOM 1523 N GLU A 93 12.814 7.209 -8.943 1.00 0.00 N ATOM 1524 CA GLU A 93 11.741 7.684 -8.078 1.00 0.00 C ATOM 1525 C GLU A 93 10.446 6.914 -8.345 1.00 0.00 C ATOM 1526 O GLU A 93 10.101 6.654 -9.497 1.00 0.00 O ATOM 1527 CB GLU A 93 11.509 9.180 -8.293 1.00 0.00 C ATOM 1528 CG GLU A 93 12.730 10.034 -7.990 1.00 0.00 C ATOM 1529 CD GLU A 93 12.447 11.519 -8.110 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.752 12.064 -7.228 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.921 12.135 -9.089 1.00 0.00 O ATOM 0 H GLU A 93 12.544 7.081 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 93 12.039 7.514 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.206 9.348 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.682 9.506 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.081 9.815 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.536 9.765 -8.673 1.00 0.00 H new ATOM 1538 N PRO A 94 9.702 6.549 -7.282 1.00 0.00 N ATOM 1539 CA PRO A 94 8.440 5.822 -7.411 1.00 0.00 C ATOM 1540 C PRO A 94 7.319 6.746 -7.852 1.00 0.00 C ATOM 1541 O PRO A 94 7.115 7.804 -7.256 1.00 0.00 O ATOM 1542 CB PRO A 94 8.170 5.292 -5.991 1.00 0.00 C ATOM 1543 CG PRO A 94 9.373 5.659 -5.181 1.00 0.00 C ATOM 1544 CD PRO A 94 10.006 6.826 -5.879 1.00 0.00 C ATOM 0 HA PRO A 94 8.493 5.031 -8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.267 5.737 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.019 4.213 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.091 5.921 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.068 4.822 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.583 7.775 -5.550 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.080 6.876 -5.697 1.00 0.00 H new ATOM 1552 N TRP A 95 6.592 6.362 -8.895 1.00 0.00 N ATOM 1553 CA TRP A 95 5.507 7.203 -9.372 1.00 0.00 C ATOM 1554 C TRP A 95 4.256 6.407 -9.714 1.00 0.00 C ATOM 1555 O TRP A 95 3.193 6.625 -9.133 1.00 0.00 O ATOM 1556 CB TRP A 95 5.947 8.031 -10.585 1.00 0.00 C ATOM 1557 CG TRP A 95 6.568 7.236 -11.708 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.890 6.947 -11.869 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.894 6.651 -12.833 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.085 6.229 -13.030 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.876 6.039 -13.639 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.559 6.584 -13.239 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.562 5.379 -14.824 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.249 5.926 -14.414 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.247 5.334 -15.197 1.00 0.00 C ATOM 0 H TRP A 95 6.730 5.495 -9.414 1.00 0.00 H new ATOM 0 HA TRP A 95 5.254 7.874 -8.551 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.081 8.566 -10.974 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.663 8.783 -10.253 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.673 7.239 -11.185 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.984 5.895 -13.377 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.781 7.039 -12.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.330 4.919 -15.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.219 5.867 -14.734 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.973 4.832 -16.113 1.00 0.00 H new ATOM 1576 N GLY A 96 4.380 5.498 -10.668 1.00 0.00 N ATOM 1577 CA GLY A 96 3.240 4.698 -11.078 1.00 0.00 C ATOM 1578 C GLY A 96 2.029 5.543 -11.435 1.00 0.00 C ATOM 1579 O GLY A 96 1.891 5.997 -12.571 1.00 0.00 O ATOM 0 H GLY A 96 5.247 5.298 -11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.519 4.089 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.975 4.012 -10.274 1.00 0.00 H new ATOM 1583 N LYS A 97 1.144 5.746 -10.461 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.065 6.535 -10.678 1.00 0.00 C ATOM 1585 C LYS A 97 -0.927 6.600 -9.417 1.00 0.00 C ATOM 1586 O LYS A 97 -2.151 6.703 -9.500 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.883 5.950 -11.832 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.509 7.003 -12.730 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.850 6.542 -13.278 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.051 6.998 -14.714 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.646 5.951 -15.692 1.00 0.00 N ATOM 0 H LYS A 97 1.242 5.375 -9.516 1.00 0.00 H new ATOM 0 HA LYS A 97 0.246 7.549 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.239 5.308 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.671 5.318 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.643 7.928 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.834 7.226 -13.556 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.910 5.455 -13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.653 6.934 -12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.099 7.254 -14.870 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.471 7.904 -14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.799 6.302 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.640 5.724 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.216 5.095 -15.540 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.289 6.552 -8.251 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.011 6.620 -6.985 1.00 0.00 C ATOM 1607 C GLU A 98 -1.588 8.020 -6.783 1.00 0.00 C ATOM 1608 O GLU A 98 -2.658 8.187 -6.197 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.085 6.248 -5.822 1.00 0.00 C ATOM 1610 CG GLU A 98 1.185 7.081 -5.757 1.00 0.00 C ATOM 1611 CD GLU A 98 2.267 6.428 -4.920 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.929 5.812 -3.888 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.454 6.533 -5.297 1.00 0.00 O ATOM 0 H GLU A 98 0.723 6.467 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.833 5.905 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.631 6.361 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.186 5.196 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.561 7.244 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.951 8.061 -5.342 1.00 0.00 H new ATOM 1620 N GLY A 99 -0.873 9.022 -7.295 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.325 10.400 -7.190 1.00 0.00 C ATOM 1622 C GLY A 99 -1.266 10.956 -5.780 1.00 0.00 C ATOM 1623 O GLY A 99 -2.089 11.790 -5.406 1.00 0.00 O ATOM 0 H GLY A 99 0.015 8.902 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.715 11.024 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.350 10.465 -7.554 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.295 10.503 -4.995 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.150 10.980 -3.623 1.00 0.00 C ATOM 1629 C GLN A 100 1.317 11.172 -3.249 1.00 0.00 C ATOM 1630 O GLN A 100 1.975 10.248 -2.770 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.823 10.013 -2.651 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.315 9.848 -2.895 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.973 8.931 -1.882 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -2.627 8.944 -0.700 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.928 8.131 -2.341 1.00 0.00 N ATOM 0 H GLN A 100 0.399 9.812 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.641 11.951 -3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.340 9.039 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.666 10.367 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.795 10.826 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.474 9.450 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.182 8.154 -3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.408 7.493 -1.706 1.00 0.00 H new ATOM 1644 N PRO A 101 1.840 12.391 -3.458 1.00 0.00 N ATOM 1645 CA PRO A 101 3.230 12.734 -3.139 1.00 0.00 C ATOM 1646 C PRO A 101 3.673 12.216 -1.771 1.00 0.00 C ATOM 1647 O PRO A 101 3.026 12.480 -0.758 1.00 0.00 O ATOM 1648 CB PRO A 101 3.193 14.257 -3.139 1.00 0.00 C ATOM 1649 CG PRO A 101 2.174 14.594 -4.165 1.00 0.00 C ATOM 1650 CD PRO A 101 1.108 13.545 -4.025 1.00 0.00 C ATOM 0 HA PRO A 101 3.937 12.292 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.918 14.649 -2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.166 14.679 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.767 15.592 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.606 14.585 -5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.304 13.874 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.655 13.301 -4.986 1.00 0.00 H new ATOM 1658 N GLY A 102 4.782 11.481 -1.749 1.00 0.00 N ATOM 1659 CA GLY A 102 5.293 10.944 -0.498 1.00 0.00 C ATOM 1660 C GLY A 102 6.790 11.138 -0.342 1.00 0.00 C ATOM 1661 O GLY A 102 7.454 11.653 -1.242 1.00 0.00 O ATOM 0 H GLY A 102 5.335 11.248 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.780 11.425 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.062 9.880 -0.443 1.00 0.00 H new ATOM 1665 N GLU A 103 7.323 10.721 0.805 1.00 0.00 N ATOM 1666 CA GLU A 103 8.751 10.846 1.082 1.00 0.00 C ATOM 1667 C GLU A 103 9.272 9.604 1.800 1.00 0.00 C ATOM 1668 O GLU A 103 8.505 8.877 2.433 1.00 0.00 O ATOM 1669 CB GLU A 103 9.023 12.091 1.928 1.00 0.00 C ATOM 1670 CG GLU A 103 10.383 12.718 1.669 1.00 0.00 C ATOM 1671 CD GLU A 103 11.063 13.180 2.942 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.644 12.330 3.648 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.015 14.394 3.234 1.00 0.00 O ATOM 0 H GLU A 103 6.785 10.293 1.559 1.00 0.00 H new ATOM 0 HA GLU A 103 9.274 10.943 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.248 12.831 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.949 11.826 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.022 11.995 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.265 13.567 0.995 1.00 0.00 H new ATOM 1680 N TRP A 104 10.578 9.359 1.701 1.00 0.00 N ATOM 1681 CA TRP A 104 11.181 8.196 2.352 1.00 0.00 C ATOM 1682 C TRP A 104 11.146 8.365 3.867 1.00 0.00 C ATOM 1683 O TRP A 104 11.898 9.160 4.432 1.00 0.00 O ATOM 1684 CB TRP A 104 12.632 7.991 1.874 1.00 0.00 C ATOM 1685 CG TRP A 104 12.885 8.499 0.487 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.023 8.447 -0.569 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.073 9.136 0.008 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.604 9.013 -1.679 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.863 9.444 -1.350 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.296 9.478 0.594 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.829 10.076 -2.128 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.254 10.105 -0.180 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.015 10.398 -1.528 1.00 0.00 C ATOM 0 H TRP A 104 11.233 9.943 1.182 1.00 0.00 H new ATOM 0 HA TRP A 104 10.603 7.313 2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.308 8.495 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.871 6.928 1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.030 8.023 -0.538 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.169 9.098 -2.598 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.488 9.256 1.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.648 10.304 -3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.202 10.373 0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.784 10.889 -2.106 1.00 0.00 H new ATOM 1704 N MET A 105 10.264 7.614 4.520 1.00 0.00 N ATOM 1705 CA MET A 105 10.124 7.679 5.971 1.00 0.00 C ATOM 1706 C MET A 105 10.407 6.326 6.612 1.00 0.00 C ATOM 1707 O MET A 105 10.139 5.281 6.019 1.00 0.00 O ATOM 1708 CB MET A 105 8.721 8.156 6.358 1.00 0.00 C ATOM 1709 CG MET A 105 7.618 7.625 5.455 1.00 0.00 C ATOM 1710 SD MET A 105 6.051 8.481 5.702 1.00 0.00 S ATOM 1711 CE MET A 105 6.275 9.912 4.650 1.00 0.00 C ATOM 0 H MET A 105 9.634 6.952 4.066 1.00 0.00 H new ATOM 0 HA MET A 105 10.856 8.396 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.515 7.852 7.384 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.700 9.246 6.338 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.924 7.728 4.414 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.480 6.560 5.643 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.419 10.799 5.268 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.150 9.765 4.017 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.393 10.045 4.024 1.00 0.00 H new ATOM 1721 N SER A 106 10.940 6.351 7.828 1.00 0.00 N ATOM 1722 CA SER A 106 11.248 5.121 8.545 1.00 0.00 C ATOM 1723 C SER A 106 9.972 4.363 8.880 1.00 0.00 C ATOM 1724 O SER A 106 9.143 4.834 9.659 1.00 0.00 O ATOM 1725 CB SER A 106 12.025 5.432 9.826 1.00 0.00 C ATOM 1726 OG SER A 106 11.222 6.150 10.747 1.00 0.00 O ATOM 0 H SER A 106 11.167 7.206 8.336 1.00 0.00 H new ATOM 0 HA SER A 106 11.866 4.495 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.366 4.503 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.915 6.013 9.584 1.00 0.00 H new ATOM 0 HG SER A 106 10.281 6.088 10.479 1.00 0.00 H new ATOM 1732 N LEU A 107 9.817 3.185 8.287 1.00 0.00 N ATOM 1733 CA LEU A 107 8.636 2.362 8.525 1.00 0.00 C ATOM 1734 C LEU A 107 8.729 1.632 9.862 1.00 0.00 C ATOM 1735 O LEU A 107 7.719 1.180 10.401 1.00 0.00 O ATOM 1736 CB LEU A 107 8.454 1.351 7.393 1.00 0.00 C ATOM 1737 CG LEU A 107 7.188 0.496 7.492 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.950 1.340 7.218 1.00 0.00 C ATOM 1739 CD2 LEU A 107 7.264 -0.681 6.529 1.00 0.00 C ATOM 0 H LEU A 107 10.492 2.779 7.639 1.00 0.00 H new ATOM 0 HA LEU A 107 7.771 3.025 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.439 1.888 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.321 0.690 7.372 1.00 0.00 H new ATOM 0 HG LEU A 107 7.114 0.103 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.060 0.715 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.890 2.146 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.013 1.763 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.356 -1.278 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.362 -0.310 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.128 -1.298 6.776 1.00 0.00 H new ATOM 1751 N VAL A 108 9.942 1.523 10.395 1.00 0.00 N ATOM 1752 CA VAL A 108 10.158 0.849 11.669 1.00 0.00 C ATOM 1753 C VAL A 108 9.321 1.477 12.782 1.00 0.00 C ATOM 1754 O VAL A 108 9.079 0.852 13.814 1.00 0.00 O ATOM 1755 CB VAL A 108 11.643 0.885 12.079 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.883 0.007 13.297 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.528 0.453 10.919 1.00 0.00 C ATOM 0 H VAL A 108 10.789 1.893 9.964 1.00 0.00 H new ATOM 0 HA VAL A 108 9.849 -0.187 11.530 1.00 0.00 H new ATOM 0 HB VAL A 108 11.903 1.910 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.937 0.045 13.571 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.278 0.366 14.130 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.606 -1.021 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.573 0.485 11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.268 -0.563 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.378 1.127 10.076 1.00 0.00 H new ATOM 1767 N GLY A 109 8.884 2.716 12.568 1.00 0.00 N ATOM 1768 CA GLY A 109 8.083 3.400 13.565 1.00 0.00 C ATOM 1769 C GLY A 109 6.807 3.985 12.990 1.00 0.00 C ATOM 1770 O GLY A 109 6.454 5.127 13.282 1.00 0.00 O ATOM 0 H GLY A 109 9.071 3.256 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.830 2.702 14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.674 4.198 14.014 1.00 0.00 H new ATOM 1774 N LEU A 110 6.111 3.197 12.176 1.00 0.00 N ATOM 1775 CA LEU A 110 4.863 3.643 11.565 1.00 0.00 C ATOM 1776 C LEU A 110 3.817 3.929 12.636 1.00 0.00 C ATOM 1777 O LEU A 110 3.838 3.327 13.710 1.00 0.00 O ATOM 1778 CB LEU A 110 4.337 2.589 10.589 1.00 0.00 C ATOM 1779 CG LEU A 110 2.989 2.920 9.949 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.926 2.383 8.528 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.851 2.358 10.788 1.00 0.00 C ATOM 0 H LEU A 110 6.389 2.248 11.925 1.00 0.00 H new ATOM 0 HA LEU A 110 5.062 4.562 11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.073 2.448 9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.249 1.639 11.116 1.00 0.00 H new ATOM 0 HG LEU A 110 2.882 4.004 9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.959 2.628 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.720 2.834 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.054 1.301 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.898 2.602 10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.953 1.275 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.886 2.793 11.787 1.00 0.00 H new ATOM 1793 N ASN A 111 2.910 4.861 12.351 1.00 0.00 N ATOM 1794 CA ASN A 111 1.877 5.227 13.311 1.00 0.00 C ATOM 1795 C ASN A 111 0.477 4.893 12.812 1.00 0.00 C ATOM 1796 O ASN A 111 0.089 5.265 11.704 1.00 0.00 O ATOM 1797 CB ASN A 111 1.971 6.719 13.641 1.00 0.00 C ATOM 1798 CG ASN A 111 2.332 6.969 15.093 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.674 7.749 15.781 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.381 6.306 15.565 1.00 0.00 N ATOM 0 H ASN A 111 2.871 5.372 11.469 1.00 0.00 H new ATOM 0 HA ASN A 111 2.051 4.638 14.212 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.719 7.184 12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.017 7.198 13.419 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.671 6.433 16.535 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.897 5.669 14.958 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.284 4.206 13.661 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.654 3.832 13.342 1.00 0.00 C ATOM 1809 C ALA A 112 -2.572 5.058 13.380 1.00 0.00 C ATOM 1810 O ALA A 112 -3.703 5.016 12.899 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.157 2.759 14.300 1.00 0.00 C ATOM 0 H ALA A 112 0.031 3.897 14.581 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.668 3.423 12.332 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.183 2.494 14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.524 1.875 14.221 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.125 3.139 15.321 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.083 6.146 13.975 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.863 7.376 14.085 1.00 0.00 C ATOM 1819 C ASP A 113 -2.867 8.159 12.771 1.00 0.00 C ATOM 1820 O ASP A 113 -3.923 8.575 12.293 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.308 8.254 15.209 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.148 9.494 15.441 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.252 9.366 16.011 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.700 10.595 15.055 1.00 0.00 O ATOM 0 H ASP A 113 -1.152 6.199 14.387 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.891 7.096 14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.260 7.673 16.130 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.288 8.550 14.965 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.684 8.362 12.193 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.563 9.103 10.936 1.00 0.00 C ATOM 1831 C ASP A 114 -2.210 8.336 9.789 1.00 0.00 C ATOM 1832 O ASP A 114 -2.785 8.929 8.877 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.095 9.404 10.589 1.00 0.00 C ATOM 1834 CG ASP A 114 0.901 8.827 11.578 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.934 9.303 12.733 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.648 7.902 11.197 1.00 0.00 O ATOM 0 H ASP A 114 -0.799 8.026 12.572 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.084 10.050 11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.122 9.008 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.042 10.484 10.538 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.109 7.016 9.840 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.681 6.163 8.809 1.00 0.00 C ATOM 1843 C PHE A 115 -4.160 5.892 9.102 1.00 0.00 C ATOM 1844 O PHE A 115 -4.662 6.263 10.163 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.873 4.855 8.719 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.558 3.656 9.306 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.145 3.735 10.551 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.612 2.456 8.618 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.776 2.646 11.109 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.244 1.360 9.168 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.825 1.456 10.416 1.00 0.00 C ATOM 0 H PHE A 115 -1.634 6.511 10.588 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.626 6.668 7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.649 4.653 7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.919 4.997 9.227 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.109 4.666 11.097 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.155 2.377 7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.231 2.724 12.086 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.284 0.429 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.318 0.598 10.850 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.880 5.234 8.176 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.300 4.920 8.369 1.00 0.00 C ATOM 1863 C PRO A 116 -6.505 3.840 9.433 1.00 0.00 C ATOM 1864 O PRO A 116 -5.893 2.776 9.366 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.741 4.409 6.996 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.496 3.878 6.372 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.374 4.742 6.881 1.00 0.00 C ATOM 0 HA PRO A 116 -6.869 5.782 8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.500 3.632 7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.174 5.209 6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.338 2.834 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.557 3.919 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.452 4.173 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.157 5.562 6.197 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.366 4.098 10.436 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.634 3.136 11.515 1.00 0.00 C ATOM 1877 C PRO A 117 -8.297 1.853 11.020 1.00 0.00 C ATOM 1878 O PRO A 117 -8.298 0.838 11.716 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.579 3.897 12.451 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.194 4.955 11.600 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.140 5.340 10.601 1.00 0.00 C ATOM 0 HA PRO A 117 -6.710 2.806 11.991 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.338 3.236 12.869 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.037 4.331 13.291 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.089 4.584 11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.496 5.813 12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.579 5.670 9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.518 6.157 10.966 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.862 1.904 9.819 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.531 0.743 9.239 1.00 0.00 C ATOM 1891 C ALA A 118 -8.536 -0.327 8.803 1.00 0.00 C ATOM 1892 O ALA A 118 -8.928 -1.436 8.438 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.398 1.170 8.064 1.00 0.00 C ATOM 0 H ALA A 118 -8.871 2.735 9.228 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.163 0.306 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.892 0.296 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.150 1.881 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.774 1.639 7.303 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.254 0.010 8.825 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.213 -0.920 8.412 1.00 0.00 C ATOM 1901 C ASN A 119 -5.251 -1.227 9.560 1.00 0.00 C ATOM 1902 O ASN A 119 -4.072 -1.502 9.334 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.452 -0.318 7.235 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.896 -0.880 5.901 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.073 -1.152 5.026 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.202 -1.050 5.734 1.00 0.00 N ATOM 0 H ASN A 119 -6.910 0.922 9.125 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.679 -1.860 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.591 0.763 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.386 -0.502 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.560 -1.420 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.848 -0.811 6.487 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.753 -1.168 10.791 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.926 -1.428 11.968 1.00 0.00 C ATOM 1915 C GLU A 120 -4.652 -2.921 12.164 1.00 0.00 C ATOM 1916 O GLU A 120 -3.531 -3.304 12.473 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.576 -0.835 13.221 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.802 0.332 13.809 1.00 0.00 C ATOM 1919 CD GLU A 120 -3.745 -0.110 14.801 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -2.846 -0.883 14.407 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -3.814 0.317 15.973 1.00 0.00 O ATOM 0 H GLU A 120 -6.726 -0.943 11.000 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.965 -0.942 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.585 -0.505 12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.671 -1.616 13.976 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.327 0.891 13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.496 1.012 14.303 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.663 -3.791 11.997 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.486 -5.239 12.171 1.00 0.00 C ATOM 1930 C PRO A 121 -4.221 -5.769 11.502 1.00 0.00 C ATOM 1931 O PRO A 121 -3.538 -6.639 12.043 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.727 -5.816 11.495 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.771 -4.769 11.683 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.052 -3.445 11.631 1.00 0.00 C ATOM 0 HA PRO A 121 -5.376 -5.512 13.220 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.548 -6.014 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.025 -6.761 11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.530 -4.831 10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.283 -4.897 12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.106 -2.998 10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.483 -2.727 12.328 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.917 -5.241 10.324 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.737 -5.653 9.576 1.00 0.00 C ATOM 1944 C VAL A 122 -1.481 -5.025 10.161 1.00 0.00 C ATOM 1945 O VAL A 122 -0.497 -5.710 10.442 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.837 -5.258 8.088 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.933 -6.138 7.239 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.276 -5.332 7.600 1.00 0.00 C ATOM 0 H VAL A 122 -4.475 -4.522 9.864 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.681 -6.739 9.652 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.502 -4.226 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.017 -5.844 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.900 -6.021 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.233 -7.180 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.319 -5.049 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.648 -6.350 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.894 -4.650 8.185 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.527 -3.710 10.337 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.401 -2.968 10.884 1.00 0.00 C ATOM 1960 C ILE A 123 -0.121 -3.375 12.325 1.00 0.00 C ATOM 1961 O ILE A 123 1.019 -3.347 12.770 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.658 -1.450 10.816 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.704 -0.994 9.352 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.404 -0.685 11.599 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.532 -0.247 8.898 1.00 0.00 C ATOM 0 H ILE A 123 -2.337 -3.134 10.107 1.00 0.00 H new ATOM 0 HA ILE A 123 0.472 -3.208 10.277 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.623 -1.234 11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.842 -1.868 8.715 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.575 -0.354 9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.202 0.384 11.537 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.383 -0.998 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.387 -0.894 11.178 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.420 0.040 7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.661 0.647 9.508 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.406 -0.890 9.006 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.165 -3.756 13.048 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.015 -4.169 14.436 1.00 0.00 C ATOM 1979 C ALA A 124 0.012 -5.287 14.551 1.00 0.00 C ATOM 1980 O ALA A 124 0.705 -5.410 15.561 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.353 -4.617 15.004 1.00 0.00 C ATOM 0 H ALA A 124 -2.122 -3.788 12.698 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.662 -3.315 15.014 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.224 -4.923 16.042 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.064 -3.792 14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.732 -5.458 14.423 1.00 0.00 H new ATOM 1987 N LYS A 125 0.104 -6.099 13.504 1.00 0.00 N ATOM 1988 CA LYS A 125 1.050 -7.210 13.481 1.00 0.00 C ATOM 1989 C LYS A 125 2.494 -6.714 13.381 1.00 0.00 C ATOM 1990 O LYS A 125 3.346 -7.090 14.186 1.00 0.00 O ATOM 1991 CB LYS A 125 0.739 -8.145 12.312 1.00 0.00 C ATOM 1992 CG LYS A 125 1.453 -9.484 12.396 1.00 0.00 C ATOM 1993 CD LYS A 125 2.781 -9.454 11.657 1.00 0.00 C ATOM 1994 CE LYS A 125 3.567 -10.737 11.872 1.00 0.00 C ATOM 1995 NZ LYS A 125 3.138 -11.813 10.936 1.00 0.00 N ATOM 0 H LYS A 125 -0.463 -6.010 12.661 1.00 0.00 H new ATOM 0 HA LYS A 125 0.944 -7.756 14.419 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.336 -8.318 12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.017 -7.653 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.623 -9.742 13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.818 -10.263 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.602 -9.310 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.370 -8.603 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.630 -10.539 11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.436 -11.076 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.697 -12.671 11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.130 -12.020 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.287 -11.500 9.955 1.00 0.00 H new ATOM 2009 N LEU A 126 2.766 -5.876 12.383 1.00 0.00 N ATOM 2010 CA LEU A 126 4.109 -5.337 12.171 1.00 0.00 C ATOM 2011 C LEU A 126 4.416 -4.199 13.140 1.00 0.00 C ATOM 2012 O LEU A 126 5.561 -4.015 13.553 1.00 0.00 O ATOM 2013 CB LEU A 126 4.262 -4.845 10.731 1.00 0.00 C ATOM 2014 CG LEU A 126 5.688 -4.889 10.178 1.00 0.00 C ATOM 2015 CD1 LEU A 126 6.627 -4.073 11.052 1.00 0.00 C ATOM 2016 CD2 LEU A 126 6.172 -6.327 10.070 1.00 0.00 C ATOM 0 H LEU A 126 2.073 -5.555 11.707 1.00 0.00 H new ATOM 0 HA LEU A 126 4.820 -6.142 12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.621 -5.447 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.898 -3.819 10.673 1.00 0.00 H new ATOM 0 HG LEU A 126 5.684 -4.451 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 126 7.636 -4.117 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.291 -3.036 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.628 -4.480 12.063 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.188 -6.340 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.160 -6.790 11.057 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.515 -6.883 9.401 1.00 0.00 H new ATOM 2028 N LYS A 127 3.391 -3.434 13.493 1.00 0.00 N ATOM 2029 CA LYS A 127 3.547 -2.306 14.408 1.00 0.00 C ATOM 2030 C LYS A 127 4.227 -2.735 15.695 1.00 0.00 C ATOM 2031 O LYS A 127 5.117 -2.052 16.200 1.00 0.00 O ATOM 2032 CB LYS A 127 2.186 -1.710 14.730 1.00 0.00 C ATOM 2033 CG LYS A 127 2.259 -0.404 15.500 1.00 0.00 C ATOM 2034 CD LYS A 127 0.994 0.420 15.322 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.107 -0.040 16.263 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.197 0.820 17.476 1.00 0.00 N ATOM 0 H LYS A 127 2.438 -3.574 13.159 1.00 0.00 H new ATOM 0 HA LYS A 127 4.172 -1.558 13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.643 -1.543 13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.611 -2.432 15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.412 -0.613 16.559 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.120 0.172 15.161 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.215 1.472 15.505 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.649 0.341 14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.062 -0.028 15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.079 -1.071 16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.960 0.473 18.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.706 0.789 17.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.400 1.800 17.193 1.00 0.00 H new ATOM 2050 N ARG A 128 3.816 -3.886 16.209 1.00 0.00 N ATOM 2051 CA ARG A 128 4.402 -4.421 17.426 1.00 0.00 C ATOM 2052 C ARG A 128 5.853 -4.814 17.168 1.00 0.00 C ATOM 2053 O ARG A 128 6.605 -5.103 18.099 1.00 0.00 O ATOM 2054 CB ARG A 128 3.600 -5.631 17.913 1.00 0.00 C ATOM 2055 CG ARG A 128 4.236 -6.357 19.088 1.00 0.00 C ATOM 2056 CD ARG A 128 3.392 -7.539 19.535 1.00 0.00 C ATOM 2057 NE ARG A 128 3.244 -8.536 18.478 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.787 -9.770 18.680 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.434 -10.163 19.899 1.00 0.00 N ATOM 2060 NH2 ARG A 128 2.683 -10.614 17.663 1.00 0.00 N ATOM 0 H ARG A 128 3.081 -4.464 15.802 1.00 0.00 H new ATOM 0 HA ARG A 128 4.375 -3.656 18.202 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.601 -5.302 18.199 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.480 -6.332 17.087 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.230 -6.704 18.808 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.363 -5.664 19.920 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.851 -8.002 20.409 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.407 -7.186 19.841 1.00 0.00 H new ATOM 0 HE ARG A 128 3.506 -8.271 17.529 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.513 -9.518 20.685 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.084 -11.110 20.048 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.953 -10.318 16.725 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.333 -11.559 17.819 1.00 0.00 H new ATOM 2074 N LEU A 129 6.241 -4.815 15.891 1.00 0.00 N ATOM 2075 CA LEU A 129 7.604 -5.166 15.503 1.00 0.00 C ATOM 2076 C LEU A 129 8.006 -6.521 16.078 1.00 0.00 C ATOM 2077 O LEU A 129 8.409 -7.423 15.342 1.00 0.00 O ATOM 2078 CB LEU A 129 8.582 -4.084 15.975 1.00 0.00 C ATOM 2079 CG LEU A 129 8.952 -3.037 14.919 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.701 -2.467 14.267 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.784 -1.926 15.542 1.00 0.00 C ATOM 0 H LEU A 129 5.629 -4.577 15.110 1.00 0.00 H new ATOM 0 HA LEU A 129 7.641 -5.233 14.416 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.147 -3.573 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.496 -4.568 16.320 1.00 0.00 H new ATOM 0 HG LEU A 129 9.548 -3.523 14.146 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.985 -1.726 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.143 -3.270 13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.077 -1.996 15.027 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.039 -1.190 14.779 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.212 -1.444 16.334 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.699 -2.347 15.960 1.00 0.00 H new