USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 54 GLN : amide:sc= 0.643 K(o=0.86,f=-5.8!) USER MOD Set 1.2: A 88 TYR OH : rot 49:sc= 0.22 USER MOD Set 2.1: A 22 HIS : no HE2:sc= -2.23! C(o=-3.2!,f=-3.2!) USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= -0.968 USER MOD Set 3.1: A 33 GLN : amide:sc= -3.23! C(o=-3.2!,f=-4.8!) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 76 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 31 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 9 GLN : amide:sc= -0.872 K(o=-0.87,f=-1.8!) USER MOD Single : A 11 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.53) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.13! K(o=-4.1!,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.11) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 147:sc= -2.05! (180deg=-3.01!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00898 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.504! C(o=-0.5!,f=-5.4!) USER MOD Single : A 61 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.51) USER MOD Single : A 66 ASN : amide:sc= -0.366 K(o=-0.37,f=0.87) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 81 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0153 (180deg=-0.184) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 GLN : amide:sc= -0.931 X(o=-0.93,f=-1.4) USER MOD Single : A 102 MET CE :methyl 150:sc= -0.248 (180deg=-0.902) USER MOD Single : A 104 SER OG : rot 126:sc= 1.28 USER MOD Single : A 106 SER OG : rot 16:sc= 0.571! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 111 THR OG1 : rot -78:sc= 1.5 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0844 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -21.726 14.629 9.066 1.00 0.00 N ATOM 67 CA ARG A 8 -22.860 14.758 8.159 1.00 0.00 C ATOM 68 C ARG A 8 -22.469 14.363 6.738 1.00 0.00 C ATOM 69 O ARG A 8 -23.131 13.539 6.109 1.00 0.00 O ATOM 70 CB ARG A 8 -23.391 16.193 8.173 1.00 0.00 C ATOM 71 CG ARG A 8 -23.991 16.607 9.507 1.00 0.00 C ATOM 72 CD ARG A 8 -25.333 15.935 9.746 1.00 0.00 C ATOM 73 NE ARG A 8 -26.199 16.733 10.611 1.00 0.00 N ATOM 74 CZ ARG A 8 -27.227 16.231 11.286 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.516 14.940 11.198 1.00 0.00 N ATOM 76 NH2 ARG A 8 -27.968 17.022 12.052 1.00 0.00 N ATOM 0 HA ARG A 8 -23.645 14.084 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.578 16.875 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.147 16.299 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.304 16.347 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.115 17.690 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.830 15.768 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.173 14.956 10.197 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.003 17.730 10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.948 14.329 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.306 14.558 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.748 18.016 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.757 16.636 12.570 1.00 0.00 H new ATOM 90 N GLN A 9 -21.390 14.958 6.240 1.00 0.00 N ATOM 91 CA GLN A 9 -20.911 14.669 4.894 1.00 0.00 C ATOM 92 C GLN A 9 -20.116 13.368 4.866 1.00 0.00 C ATOM 93 O GLN A 9 -19.444 13.060 3.882 1.00 0.00 O ATOM 94 CB GLN A 9 -20.046 15.820 4.379 1.00 0.00 C ATOM 95 CG GLN A 9 -19.482 15.583 2.987 1.00 0.00 C ATOM 96 CD GLN A 9 -19.050 16.866 2.305 1.00 0.00 C ATOM 97 OE1 GLN A 9 -19.509 17.954 2.656 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.162 16.746 1.326 1.00 0.00 N ATOM 0 H GLN A 9 -20.831 15.643 6.749 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.779 14.557 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.640 16.734 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.221 15.982 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.629 14.908 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.234 15.086 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.808 15.825 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.833 17.575 0.831 1.00 0.00 H new ATOM 107 N VAL A 10 -20.197 12.607 5.953 1.00 0.00 N ATOM 108 CA VAL A 10 -19.486 11.339 6.053 1.00 0.00 C ATOM 109 C VAL A 10 -20.087 10.296 5.118 1.00 0.00 C ATOM 110 O VAL A 10 -19.365 9.535 4.475 1.00 0.00 O ATOM 111 CB VAL A 10 -19.509 10.794 7.494 1.00 0.00 C ATOM 112 CG1 VAL A 10 -20.927 10.424 7.902 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.578 9.599 7.627 1.00 0.00 C ATOM 0 H VAL A 10 -20.748 12.847 6.777 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.454 11.532 5.762 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.156 11.576 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.924 10.041 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.563 11.307 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.311 9.658 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.607 9.227 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.898 8.811 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.560 9.901 7.380 1.00 0.00 H new ATOM 123 N GLN A 11 -21.414 10.267 5.048 1.00 0.00 N ATOM 124 CA GLN A 11 -22.113 9.317 4.191 1.00 0.00 C ATOM 125 C GLN A 11 -22.231 9.852 2.768 1.00 0.00 C ATOM 126 O GLN A 11 -22.912 9.266 1.926 1.00 0.00 O ATOM 127 CB GLN A 11 -23.504 9.018 4.753 1.00 0.00 C ATOM 128 CG GLN A 11 -23.530 7.842 5.717 1.00 0.00 C ATOM 129 CD GLN A 11 -24.928 7.298 5.935 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.698 7.135 4.988 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.264 7.014 7.188 1.00 0.00 N ATOM 0 H GLN A 11 -22.026 10.890 5.574 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.533 8.394 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -23.879 9.905 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.185 8.815 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.891 7.047 5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.111 8.152 6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.594 7.165 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.192 6.645 7.396 1.00 0.00 H new ATOM 140 N LYS A 12 -21.564 10.971 2.504 1.00 0.00 N ATOM 141 CA LYS A 12 -21.593 11.586 1.183 1.00 0.00 C ATOM 142 C LYS A 12 -20.200 11.605 0.561 1.00 0.00 C ATOM 143 O LYS A 12 -20.032 11.293 -0.617 1.00 0.00 O ATOM 144 CB LYS A 12 -22.142 13.012 1.273 1.00 0.00 C ATOM 145 CG LYS A 12 -22.815 13.486 -0.003 1.00 0.00 C ATOM 146 CD LYS A 12 -23.231 14.944 0.095 1.00 0.00 C ATOM 147 CE LYS A 12 -23.452 15.555 -1.280 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.481 16.631 -1.251 1.00 0.00 N ATOM 0 H LYS A 12 -20.996 11.470 3.189 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.248 10.990 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.858 13.066 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.326 13.692 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.134 13.357 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.691 12.869 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.147 15.023 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -22.463 15.507 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.512 15.962 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.760 14.777 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.602 17.021 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -25.385 16.238 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.175 17.386 -0.605 1.00 0.00 H new ATOM 162 N GLU A 13 -19.204 11.972 1.362 1.00 0.00 N ATOM 163 CA GLU A 13 -17.826 12.031 0.889 1.00 0.00 C ATOM 164 C GLU A 13 -17.152 10.667 1.006 1.00 0.00 C ATOM 165 O GLU A 13 -16.468 10.218 0.085 1.00 0.00 O ATOM 166 CB GLU A 13 -17.035 13.073 1.682 1.00 0.00 C ATOM 167 CG GLU A 13 -15.530 12.866 1.627 1.00 0.00 C ATOM 168 CD GLU A 13 -14.764 13.968 2.332 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.174 14.356 3.446 1.00 0.00 O ATOM 170 OE2 GLU A 13 -13.755 14.443 1.771 1.00 0.00 O ATOM 0 H GLU A 13 -19.326 12.233 2.341 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.842 12.320 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.271 14.065 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.359 13.048 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.282 11.907 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.212 12.816 0.586 1.00 0.00 H new ATOM 177 N LEU A 14 -17.350 10.012 2.145 1.00 0.00 N ATOM 178 CA LEU A 14 -16.762 8.699 2.384 1.00 0.00 C ATOM 179 C LEU A 14 -16.681 7.894 1.091 1.00 0.00 C ATOM 180 O LEU A 14 -15.595 7.535 0.638 1.00 0.00 O ATOM 181 CB LEU A 14 -17.581 7.933 3.424 1.00 0.00 C ATOM 182 CG LEU A 14 -17.203 6.465 3.629 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.163 6.331 4.731 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.437 5.637 3.954 1.00 0.00 C ATOM 0 H LEU A 14 -17.913 10.369 2.917 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.750 8.846 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.489 8.448 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.631 7.980 3.136 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.771 6.088 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.906 5.280 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.269 6.892 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.568 6.725 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.149 4.595 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.898 6.014 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.149 5.707 3.132 1.00 0.00 H new ATOM 196 N GLY A 15 -17.839 7.616 0.499 1.00 0.00 N ATOM 197 CA GLY A 15 -17.877 6.858 -0.738 1.00 0.00 C ATOM 198 C GLY A 15 -17.305 7.631 -1.909 1.00 0.00 C ATOM 199 O GLY A 15 -16.429 7.137 -2.620 1.00 0.00 O ATOM 0 H GLY A 15 -18.751 7.902 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.317 5.931 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.908 6.580 -0.959 1.00 0.00 H new ATOM 203 N ASP A 16 -17.801 8.846 -2.113 1.00 0.00 N ATOM 204 CA ASP A 16 -17.335 9.689 -3.208 1.00 0.00 C ATOM 205 C ASP A 16 -15.820 9.595 -3.358 1.00 0.00 C ATOM 206 O ASP A 16 -15.312 9.240 -4.422 1.00 0.00 O ATOM 207 CB ASP A 16 -17.747 11.143 -2.972 1.00 0.00 C ATOM 208 CG ASP A 16 -19.099 11.467 -3.577 1.00 0.00 C ATOM 209 OD1 ASP A 16 -19.327 11.102 -4.749 1.00 0.00 O ATOM 210 OD2 ASP A 16 -19.929 12.085 -2.878 1.00 0.00 O ATOM 0 H ASP A 16 -18.526 9.270 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.797 9.334 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.775 11.340 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.993 11.805 -3.398 1.00 0.00 H new ATOM 215 N VAL A 17 -15.102 9.916 -2.286 1.00 0.00 N ATOM 216 CA VAL A 17 -13.645 9.868 -2.298 1.00 0.00 C ATOM 217 C VAL A 17 -13.140 8.738 -3.190 1.00 0.00 C ATOM 218 O VAL A 17 -13.470 7.571 -2.977 1.00 0.00 O ATOM 219 CB VAL A 17 -13.078 9.679 -0.879 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.571 9.475 -0.929 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.434 10.870 -0.001 1.00 0.00 C ATOM 0 H VAL A 17 -15.506 10.212 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.300 10.823 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.527 8.787 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.188 9.343 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.343 8.589 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.101 10.347 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.026 10.720 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.014 11.779 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.518 10.965 0.061 1.00 0.00 H new ATOM 231 N LEU A 18 -12.338 9.093 -4.187 1.00 0.00 N ATOM 232 CA LEU A 18 -11.786 8.109 -5.112 1.00 0.00 C ATOM 233 C LEU A 18 -10.404 7.652 -4.659 1.00 0.00 C ATOM 234 O LEU A 18 -9.400 8.313 -4.927 1.00 0.00 O ATOM 235 CB LEU A 18 -11.705 8.695 -6.523 1.00 0.00 C ATOM 236 CG LEU A 18 -11.742 7.687 -7.672 1.00 0.00 C ATOM 237 CD1 LEU A 18 -10.504 6.804 -7.647 1.00 0.00 C ATOM 238 CD2 LEU A 18 -13.004 6.840 -7.598 1.00 0.00 C ATOM 0 H LEU A 18 -12.055 10.055 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.449 7.244 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.532 9.394 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.784 9.273 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.752 8.238 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.548 6.093 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.613 7.424 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.463 6.262 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.013 6.128 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.024 6.299 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.880 7.485 -7.665 1.00 0.00 H new ATOM 250 N VAL A 19 -10.358 6.515 -3.971 1.00 0.00 N ATOM 251 CA VAL A 19 -9.098 5.967 -3.484 1.00 0.00 C ATOM 252 C VAL A 19 -8.230 5.474 -4.636 1.00 0.00 C ATOM 253 O VAL A 19 -8.525 4.451 -5.255 1.00 0.00 O ATOM 254 CB VAL A 19 -9.334 4.806 -2.500 1.00 0.00 C ATOM 255 CG1 VAL A 19 -8.010 4.209 -2.049 1.00 0.00 C ATOM 256 CG2 VAL A 19 -10.150 5.277 -1.306 1.00 0.00 C ATOM 0 H VAL A 19 -11.179 5.956 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.582 6.775 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.899 4.028 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.198 3.390 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.467 3.832 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.415 4.976 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.307 4.444 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.614 6.074 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.114 5.651 -1.649 1.00 0.00 H new ATOM 266 N ARG A 20 -7.159 6.207 -4.919 1.00 0.00 N ATOM 267 CA ARG A 20 -6.248 5.845 -5.998 1.00 0.00 C ATOM 268 C ARG A 20 -5.221 4.821 -5.522 1.00 0.00 C ATOM 269 O ARG A 20 -4.151 5.181 -5.030 1.00 0.00 O ATOM 270 CB ARG A 20 -5.534 7.089 -6.531 1.00 0.00 C ATOM 271 CG ARG A 20 -4.394 6.774 -7.486 1.00 0.00 C ATOM 272 CD ARG A 20 -4.910 6.225 -8.807 1.00 0.00 C ATOM 273 NE ARG A 20 -3.916 6.334 -9.871 1.00 0.00 N ATOM 274 CZ ARG A 20 -4.006 5.693 -11.030 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.041 4.901 -11.274 1.00 0.00 N ATOM 276 NH2 ARG A 20 -3.061 5.843 -11.949 1.00 0.00 N ATOM 0 H ARG A 20 -6.900 7.056 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.835 5.399 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.259 7.723 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.144 7.662 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.811 7.677 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.723 6.048 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.192 5.180 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.811 6.765 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.108 6.936 -9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.770 4.783 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.108 4.409 -12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.263 6.452 -11.766 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.132 5.350 -12.839 1.00 0.00 H new ATOM 290 N LEU A 21 -5.555 3.544 -5.671 1.00 0.00 N ATOM 291 CA LEU A 21 -4.663 2.466 -5.256 1.00 0.00 C ATOM 292 C LEU A 21 -3.772 2.022 -6.412 1.00 0.00 C ATOM 293 O LEU A 21 -4.058 1.030 -7.084 1.00 0.00 O ATOM 294 CB LEU A 21 -5.474 1.278 -4.736 1.00 0.00 C ATOM 295 CG LEU A 21 -4.818 0.451 -3.629 1.00 0.00 C ATOM 296 CD1 LEU A 21 -5.522 -0.888 -3.475 1.00 0.00 C ATOM 297 CD2 LEU A 21 -3.339 0.247 -3.922 1.00 0.00 C ATOM 0 H LEU A 21 -6.437 3.229 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.027 2.842 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.430 1.650 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.692 0.617 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.910 0.997 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.042 -1.463 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.568 -0.722 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.461 -1.441 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.888 -0.343 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.225 -0.278 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.843 1.216 -3.981 1.00 0.00 H new ATOM 309 N HIS A 22 -2.690 2.761 -6.636 1.00 0.00 N ATOM 310 CA HIS A 22 -1.755 2.441 -7.709 1.00 0.00 C ATOM 311 C HIS A 22 -1.402 0.957 -7.697 1.00 0.00 C ATOM 312 O HIS A 22 -1.842 0.198 -8.560 1.00 0.00 O ATOM 313 CB HIS A 22 -0.484 3.280 -7.574 1.00 0.00 C ATOM 314 CG HIS A 22 -0.749 4.726 -7.286 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.576 5.724 -8.222 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.179 5.341 -6.159 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.886 6.889 -7.683 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.256 6.684 -6.432 1.00 0.00 N ATOM 0 H HIS A 22 -2.439 3.585 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.237 2.675 -8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.132 2.866 -6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.093 3.201 -8.495 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -0.258 5.584 -9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.417 4.864 -5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.844 7.847 -8.181 1.00 0.00 H new ATOM 327 N ASN A 23 -0.604 0.551 -6.715 1.00 0.00 N ATOM 328 CA ASN A 23 -0.191 -0.842 -6.592 1.00 0.00 C ATOM 329 C ASN A 23 0.645 -1.053 -5.333 1.00 0.00 C ATOM 330 O ASN A 23 1.464 -0.216 -4.954 1.00 0.00 O ATOM 331 CB ASN A 23 0.609 -1.269 -7.825 1.00 0.00 C ATOM 332 CG ASN A 23 1.405 -2.538 -7.587 1.00 0.00 C ATOM 333 OD1 ASN A 23 1.081 -3.597 -8.124 1.00 0.00 O ATOM 334 ND2 ASN A 23 2.454 -2.435 -6.779 1.00 0.00 N ATOM 0 H ASN A 23 -0.230 1.167 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.089 -1.456 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.073 -1.422 -8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.288 -0.466 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.028 -3.255 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.685 -1.536 -6.356 1.00 0.00 H new ATOM 341 N PRO A 24 0.434 -2.199 -4.668 1.00 0.00 N ATOM 342 CA PRO A 24 1.158 -2.548 -3.443 1.00 0.00 C ATOM 343 C PRO A 24 2.628 -2.856 -3.706 1.00 0.00 C ATOM 344 O PRO A 24 3.024 -4.019 -3.787 1.00 0.00 O ATOM 345 CB PRO A 24 0.430 -3.798 -2.944 1.00 0.00 C ATOM 346 CG PRO A 24 -0.175 -4.397 -4.166 1.00 0.00 C ATOM 347 CD PRO A 24 -0.527 -3.242 -5.063 1.00 0.00 C ATOM 0 HA PRO A 24 1.164 -1.727 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.119 -4.492 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.333 -3.544 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.525 -5.073 -4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.061 -4.981 -3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.425 -3.505 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.557 -2.917 -4.914 1.00 0.00 H new ATOM 355 N VAL A 25 3.434 -1.808 -3.837 1.00 0.00 N ATOM 356 CA VAL A 25 4.861 -1.967 -4.089 1.00 0.00 C ATOM 357 C VAL A 25 5.472 -3.006 -3.155 1.00 0.00 C ATOM 358 O VAL A 25 5.605 -2.775 -1.954 1.00 0.00 O ATOM 359 CB VAL A 25 5.614 -0.634 -3.918 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.100 -0.821 -4.185 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.029 0.429 -4.836 1.00 0.00 C ATOM 0 H VAL A 25 3.123 -0.839 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 25 4.964 -2.304 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 25 5.494 -0.299 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.615 0.131 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.507 -1.549 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.244 -1.180 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.573 1.364 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.117 0.103 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.978 0.582 -4.592 1.00 0.00 H new ATOM 371 N VAL A 26 5.842 -4.153 -3.716 1.00 0.00 N ATOM 372 CA VAL A 26 6.440 -5.228 -2.934 1.00 0.00 C ATOM 373 C VAL A 26 7.939 -5.010 -2.756 1.00 0.00 C ATOM 374 O VAL A 26 8.705 -5.069 -3.718 1.00 0.00 O ATOM 375 CB VAL A 26 6.208 -6.600 -3.596 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.393 -6.504 -5.103 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.142 -7.643 -3.001 1.00 0.00 C ATOM 0 H VAL A 26 5.738 -4.361 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 26 5.955 -5.217 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 26 5.182 -6.910 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.225 -7.482 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.679 -5.789 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.407 -6.172 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.965 -8.606 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.176 -7.341 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.955 -7.730 -1.931 1.00 0.00 H new ATOM 387 N LEU A 27 8.350 -4.758 -1.518 1.00 0.00 N ATOM 388 CA LEU A 27 9.759 -4.531 -1.212 1.00 0.00 C ATOM 389 C LEU A 27 10.464 -5.844 -0.889 1.00 0.00 C ATOM 390 O LEU A 27 11.475 -6.186 -1.504 1.00 0.00 O ATOM 391 CB LEU A 27 9.895 -3.562 -0.036 1.00 0.00 C ATOM 392 CG LEU A 27 9.123 -2.248 -0.155 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.025 -1.562 1.198 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.786 -1.331 -1.173 1.00 0.00 C ATOM 0 H LEU A 27 7.729 -4.706 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 27 10.232 -4.094 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.566 -4.073 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.952 -3.329 0.096 1.00 0.00 H new ATOM 0 HG LEU A 27 8.113 -2.472 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.472 -0.628 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.506 -2.214 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.027 -1.351 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.223 -0.400 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.807 -1.115 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.803 -1.821 -2.147 1.00 0.00 H new ATOM 406 N THR A 28 9.924 -6.578 0.079 1.00 0.00 N ATOM 407 CA THR A 28 10.500 -7.854 0.483 1.00 0.00 C ATOM 408 C THR A 28 9.439 -8.947 0.527 1.00 0.00 C ATOM 409 O THR A 28 8.240 -8.679 0.605 1.00 0.00 O ATOM 410 CB THR A 28 11.176 -7.753 1.864 1.00 0.00 C ATOM 411 OG1 THR A 28 10.489 -6.794 2.676 1.00 0.00 O ATOM 412 CG2 THR A 28 12.637 -7.354 1.723 1.00 0.00 C ATOM 0 H THR A 28 9.088 -6.310 0.598 1.00 0.00 H new ATOM 0 HA THR A 28 11.252 -8.112 -0.263 1.00 0.00 H new ATOM 0 HB THR A 28 11.128 -8.732 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.923 -6.737 3.553 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.093 -7.289 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.163 -8.102 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.703 -6.385 1.228 1.00 0.00 H new ATOM 420 N PRO A 29 9.887 -10.210 0.478 1.00 0.00 N ATOM 421 CA PRO A 29 8.991 -11.370 0.513 1.00 0.00 C ATOM 422 C PRO A 29 8.333 -11.553 1.876 1.00 0.00 C ATOM 423 O PRO A 29 7.590 -12.511 2.095 1.00 0.00 O ATOM 424 CB PRO A 29 9.922 -12.546 0.206 1.00 0.00 C ATOM 425 CG PRO A 29 11.270 -12.086 0.639 1.00 0.00 C ATOM 426 CD PRO A 29 11.303 -10.604 0.385 1.00 0.00 C ATOM 0 HA PRO A 29 8.164 -11.268 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.618 -13.443 0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.910 -12.793 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.437 -12.305 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.055 -12.595 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.914 -10.084 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.721 -10.374 -0.595 1.00 0.00 H new ATOM 434 N THR A 30 8.609 -10.629 2.791 1.00 0.00 N ATOM 435 CA THR A 30 8.044 -10.689 4.133 1.00 0.00 C ATOM 436 C THR A 30 7.371 -9.373 4.505 1.00 0.00 C ATOM 437 O THR A 30 6.734 -9.263 5.554 1.00 0.00 O ATOM 438 CB THR A 30 9.123 -11.017 5.182 1.00 0.00 C ATOM 439 OG1 THR A 30 10.194 -10.070 5.095 1.00 0.00 O ATOM 440 CG2 THR A 30 9.664 -12.424 4.981 1.00 0.00 C ATOM 0 H THR A 30 9.221 -9.830 2.627 1.00 0.00 H new ATOM 0 HA THR A 30 7.300 -11.485 4.128 1.00 0.00 H new ATOM 0 HB THR A 30 8.667 -10.959 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.875 -10.284 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.424 -12.632 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.851 -13.144 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.105 -12.506 3.987 1.00 0.00 H new ATOM 448 N THR A 31 7.516 -8.373 3.641 1.00 0.00 N ATOM 449 CA THR A 31 6.923 -7.064 3.879 1.00 0.00 C ATOM 450 C THR A 31 6.627 -6.347 2.567 1.00 0.00 C ATOM 451 O THR A 31 7.464 -6.311 1.665 1.00 0.00 O ATOM 452 CB THR A 31 7.845 -6.178 4.738 1.00 0.00 C ATOM 453 OG1 THR A 31 8.586 -6.988 5.657 1.00 0.00 O ATOM 454 CG2 THR A 31 7.038 -5.141 5.505 1.00 0.00 C ATOM 0 H THR A 31 8.040 -8.446 2.769 1.00 0.00 H new ATOM 0 HA THR A 31 5.990 -7.233 4.416 1.00 0.00 H new ATOM 0 HB THR A 31 8.536 -5.659 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.171 -6.417 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.710 -4.527 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.498 -4.507 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.327 -5.645 6.159 1.00 0.00 H new ATOM 462 N VAL A 32 5.431 -5.776 2.467 1.00 0.00 N ATOM 463 CA VAL A 32 5.025 -5.058 1.265 1.00 0.00 C ATOM 464 C VAL A 32 4.607 -3.629 1.593 1.00 0.00 C ATOM 465 O VAL A 32 4.049 -3.365 2.657 1.00 0.00 O ATOM 466 CB VAL A 32 3.860 -5.771 0.551 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.315 -4.906 -0.575 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.307 -7.126 0.026 1.00 0.00 C ATOM 0 H VAL A 32 4.726 -5.797 3.204 1.00 0.00 H new ATOM 0 HA VAL A 32 5.890 -5.037 0.602 1.00 0.00 H new ATOM 0 HB VAL A 32 3.059 -5.933 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.493 -5.426 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.955 -3.962 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.106 -4.710 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.472 -7.616 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.125 -6.990 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.645 -7.745 0.857 1.00 0.00 H new ATOM 478 N GLN A 33 4.881 -2.712 0.671 1.00 0.00 N ATOM 479 CA GLN A 33 4.533 -1.309 0.863 1.00 0.00 C ATOM 480 C GLN A 33 3.346 -0.917 -0.011 1.00 0.00 C ATOM 481 O GLN A 33 3.429 -0.949 -1.239 1.00 0.00 O ATOM 482 CB GLN A 33 5.733 -0.416 0.543 1.00 0.00 C ATOM 483 CG GLN A 33 5.373 1.052 0.379 1.00 0.00 C ATOM 484 CD GLN A 33 5.116 1.741 1.705 1.00 0.00 C ATOM 485 OE1 GLN A 33 5.578 1.289 2.753 1.00 0.00 O ATOM 486 NE2 GLN A 33 4.376 2.843 1.666 1.00 0.00 N ATOM 0 H GLN A 33 5.343 -2.915 -0.216 1.00 0.00 H new ATOM 0 HA GLN A 33 4.253 -1.170 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.471 -0.514 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.205 -0.770 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.182 1.565 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.486 1.137 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.013 3.182 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.170 3.350 2.527 1.00 0.00 H new ATOM 495 N VAL A 34 2.241 -0.549 0.631 1.00 0.00 N ATOM 496 CA VAL A 34 1.037 -0.151 -0.088 1.00 0.00 C ATOM 497 C VAL A 34 0.851 1.362 -0.053 1.00 0.00 C ATOM 498 O VAL A 34 0.917 1.983 1.009 1.00 0.00 O ATOM 499 CB VAL A 34 -0.216 -0.825 0.500 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.412 -0.627 -0.419 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.040 -2.305 0.743 1.00 0.00 C ATOM 0 H VAL A 34 2.155 -0.518 1.647 1.00 0.00 H new ATOM 0 HA VAL A 34 1.163 -0.475 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.443 -0.356 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.288 -1.111 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.607 0.439 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.199 -1.067 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.856 -2.766 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.293 -2.790 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.866 -2.421 1.444 1.00 0.00 H new ATOM 511 N THR A 35 0.617 1.951 -1.221 1.00 0.00 N ATOM 512 CA THR A 35 0.421 3.392 -1.325 1.00 0.00 C ATOM 513 C THR A 35 -0.887 3.720 -2.034 1.00 0.00 C ATOM 514 O THR A 35 -1.360 2.951 -2.872 1.00 0.00 O ATOM 515 CB THR A 35 1.584 4.064 -2.080 1.00 0.00 C ATOM 516 OG1 THR A 35 2.833 3.697 -1.483 1.00 0.00 O ATOM 517 CG2 THR A 35 1.434 5.577 -2.067 1.00 0.00 C ATOM 0 H THR A 35 0.559 1.452 -2.109 1.00 0.00 H new ATOM 0 HA THR A 35 0.386 3.780 -0.307 1.00 0.00 H new ATOM 0 HB THR A 35 1.563 3.722 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.567 4.127 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.266 6.030 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.496 5.854 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.432 5.934 -1.037 1.00 0.00 H new ATOM 525 N TRP A 36 -1.468 4.865 -1.695 1.00 0.00 N ATOM 526 CA TRP A 36 -2.723 5.294 -2.301 1.00 0.00 C ATOM 527 C TRP A 36 -2.935 6.792 -2.112 1.00 0.00 C ATOM 528 O TRP A 36 -2.587 7.353 -1.072 1.00 0.00 O ATOM 529 CB TRP A 36 -3.896 4.521 -1.695 1.00 0.00 C ATOM 530 CG TRP A 36 -4.182 4.893 -0.272 1.00 0.00 C ATOM 531 CD1 TRP A 36 -5.054 5.849 0.166 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.593 4.319 0.899 1.00 0.00 C ATOM 533 NE1 TRP A 36 -5.042 5.903 1.539 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.154 4.973 2.013 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.646 3.313 1.116 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.799 4.655 3.321 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.295 2.998 2.414 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.870 3.666 3.503 1.00 0.00 C ATOM 0 H TRP A 36 -1.090 5.513 -1.004 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.672 5.085 -3.370 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.788 4.699 -2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.684 3.453 -1.748 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.663 6.471 -0.473 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.603 6.533 2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.197 2.792 0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.240 5.170 4.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.564 2.223 2.593 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.575 3.395 4.506 1.00 0.00 H new ATOM 549 N THR A 37 -3.506 7.437 -3.124 1.00 0.00 N ATOM 550 CA THR A 37 -3.763 8.871 -3.070 1.00 0.00 C ATOM 551 C THR A 37 -5.255 9.166 -3.169 1.00 0.00 C ATOM 552 O THR A 37 -6.020 8.374 -3.719 1.00 0.00 O ATOM 553 CB THR A 37 -3.027 9.616 -4.199 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.566 9.235 -5.470 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.536 9.316 -4.164 1.00 0.00 C ATOM 0 H THR A 37 -3.800 6.989 -3.992 1.00 0.00 H new ATOM 0 HA THR A 37 -3.389 9.224 -2.109 1.00 0.00 H new ATOM 0 HB THR A 37 -3.169 10.686 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.094 9.714 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.038 9.853 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.123 9.634 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.377 8.245 -4.289 1.00 0.00 H new ATOM 563 N VAL A 38 -5.663 10.312 -2.633 1.00 0.00 N ATOM 564 CA VAL A 38 -7.065 10.714 -2.663 1.00 0.00 C ATOM 565 C VAL A 38 -7.226 12.101 -3.274 1.00 0.00 C ATOM 566 O VAL A 38 -6.501 13.032 -2.925 1.00 0.00 O ATOM 567 CB VAL A 38 -7.679 10.713 -1.250 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.653 9.312 -0.657 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.946 11.696 -0.350 1.00 0.00 C ATOM 0 H VAL A 38 -5.043 10.978 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.590 9.985 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.719 11.030 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.091 9.331 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.227 8.637 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.622 8.962 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.393 11.682 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.896 11.412 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.023 12.700 -0.768 1.00 0.00 H new ATOM 579 N ASP A 39 -8.182 12.231 -4.187 1.00 0.00 N ATOM 580 CA ASP A 39 -8.440 13.506 -4.847 1.00 0.00 C ATOM 581 C ASP A 39 -9.016 14.520 -3.864 1.00 0.00 C ATOM 582 O ASP A 39 -8.654 15.696 -3.886 1.00 0.00 O ATOM 583 CB ASP A 39 -9.402 13.311 -6.020 1.00 0.00 C ATOM 584 CG ASP A 39 -9.453 14.520 -6.934 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.653 14.573 -7.891 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.292 15.413 -6.692 1.00 0.00 O ATOM 0 H ASP A 39 -8.791 11.470 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.492 13.891 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.097 12.437 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.402 13.107 -5.636 1.00 0.00 H new ATOM 591 N ARG A 40 -9.916 14.056 -3.003 1.00 0.00 N ATOM 592 CA ARG A 40 -10.544 14.923 -2.013 1.00 0.00 C ATOM 593 C ARG A 40 -10.268 14.422 -0.598 1.00 0.00 C ATOM 594 O ARG A 40 -11.143 13.849 0.049 1.00 0.00 O ATOM 595 CB ARG A 40 -12.053 14.998 -2.253 1.00 0.00 C ATOM 596 CG ARG A 40 -12.425 15.457 -3.653 1.00 0.00 C ATOM 597 CD ARG A 40 -12.550 14.282 -4.610 1.00 0.00 C ATOM 598 NE ARG A 40 -13.908 13.746 -4.644 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.963 14.440 -5.055 1.00 0.00 C ATOM 600 NH1 ARG A 40 -14.817 15.692 -5.466 1.00 0.00 N ATOM 601 NH2 ARG A 40 -16.167 13.882 -5.056 1.00 0.00 N ATOM 0 H ARG A 40 -10.227 13.085 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.116 15.920 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.490 14.016 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.494 15.681 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.368 16.002 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.669 16.150 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.260 14.598 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.857 13.495 -4.311 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.054 12.785 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.893 16.124 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.629 16.223 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.283 12.919 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.976 14.416 -5.372 1.00 0.00 H new ATOM 615 N GLN A 41 -9.045 14.643 -0.127 1.00 0.00 N ATOM 616 CA GLN A 41 -8.653 14.213 1.211 1.00 0.00 C ATOM 617 C GLN A 41 -9.726 14.571 2.234 1.00 0.00 C ATOM 618 O GLN A 41 -9.898 15.731 2.608 1.00 0.00 O ATOM 619 CB GLN A 41 -7.321 14.853 1.605 1.00 0.00 C ATOM 620 CG GLN A 41 -6.764 14.335 2.922 1.00 0.00 C ATOM 621 CD GLN A 41 -5.262 14.508 3.028 1.00 0.00 C ATOM 622 OE1 GLN A 41 -4.708 15.514 2.584 1.00 0.00 O ATOM 623 NE2 GLN A 41 -4.592 13.524 3.618 1.00 0.00 N ATOM 0 H GLN A 41 -8.309 15.117 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.537 13.129 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.592 14.671 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.453 15.933 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.246 14.860 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.013 13.279 3.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.091 12.708 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.579 13.585 3.717 1.00 0.00 H new ATOM 632 N PRO A 42 -10.466 13.553 2.697 1.00 0.00 N ATOM 633 CA PRO A 42 -11.535 13.735 3.683 1.00 0.00 C ATOM 634 C PRO A 42 -10.995 14.100 5.062 1.00 0.00 C ATOM 635 O PRO A 42 -10.046 13.486 5.548 1.00 0.00 O ATOM 636 CB PRO A 42 -12.220 12.367 3.722 1.00 0.00 C ATOM 637 CG PRO A 42 -11.169 11.405 3.288 1.00 0.00 C ATOM 638 CD PRO A 42 -10.315 12.144 2.295 1.00 0.00 C ATOM 0 HA PRO A 42 -12.203 14.553 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.581 12.134 4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.083 12.337 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.575 11.066 4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.614 10.518 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.275 11.822 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.654 11.979 1.272 1.00 0.00 H new ATOM 646 N GLN A 43 -11.608 15.101 5.687 1.00 0.00 N ATOM 647 CA GLN A 43 -11.187 15.546 7.010 1.00 0.00 C ATOM 648 C GLN A 43 -11.888 14.744 8.102 1.00 0.00 C ATOM 649 O GLN A 43 -11.264 14.329 9.079 1.00 0.00 O ATOM 650 CB GLN A 43 -11.481 17.037 7.187 1.00 0.00 C ATOM 651 CG GLN A 43 -11.033 17.590 8.530 1.00 0.00 C ATOM 652 CD GLN A 43 -10.952 19.103 8.540 1.00 0.00 C ATOM 653 OE1 GLN A 43 -11.947 19.789 8.777 1.00 0.00 O ATOM 654 NE2 GLN A 43 -9.762 19.635 8.283 1.00 0.00 N ATOM 0 H GLN A 43 -12.397 15.618 5.299 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.113 15.382 7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.986 17.593 6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.552 17.204 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.727 17.262 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.057 17.176 8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.963 19.030 8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.647 20.648 8.277 1.00 0.00 H new ATOM 663 N PHE A 44 -13.188 14.530 7.930 1.00 0.00 N ATOM 664 CA PHE A 44 -13.974 13.779 8.902 1.00 0.00 C ATOM 665 C PHE A 44 -13.382 12.390 9.124 1.00 0.00 C ATOM 666 O PHE A 44 -13.479 11.830 10.216 1.00 0.00 O ATOM 667 CB PHE A 44 -15.425 13.658 8.432 1.00 0.00 C ATOM 668 CG PHE A 44 -15.624 12.621 7.363 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.834 11.293 7.697 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.601 12.975 6.023 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.018 10.337 6.716 1.00 0.00 C ATOM 672 CE2 PHE A 44 -15.785 12.024 5.038 1.00 0.00 C ATOM 673 CZ PHE A 44 -15.993 10.703 5.385 1.00 0.00 C ATOM 0 H PHE A 44 -13.720 14.866 7.127 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.950 14.320 9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.056 13.413 9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.759 14.625 8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.854 11.001 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.437 14.006 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.181 9.305 6.990 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.766 12.313 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.136 9.958 4.616 1.00 0.00 H new ATOM 683 N ILE A 45 -12.770 11.841 8.080 1.00 0.00 N ATOM 684 CA ILE A 45 -12.162 10.519 8.160 1.00 0.00 C ATOM 685 C ILE A 45 -11.282 10.393 9.399 1.00 0.00 C ATOM 686 O ILE A 45 -10.855 11.394 9.974 1.00 0.00 O ATOM 687 CB ILE A 45 -11.316 10.211 6.910 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.121 8.701 6.759 1.00 0.00 C ATOM 689 CG2 ILE A 45 -9.971 10.918 6.993 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.476 8.304 5.449 1.00 0.00 C ATOM 0 H ILE A 45 -12.682 12.291 7.169 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.979 9.800 8.222 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.845 10.580 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.506 8.338 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.089 8.207 6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.385 10.691 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.129 11.994 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.434 10.576 7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.368 7.220 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.101 8.637 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.493 8.769 5.372 1.00 0.00 H new ATOM 702 N GLN A 46 -11.012 9.156 9.804 1.00 0.00 N ATOM 703 CA GLN A 46 -10.182 8.899 10.975 1.00 0.00 C ATOM 704 C GLN A 46 -8.863 8.247 10.573 1.00 0.00 C ATOM 705 O GLN A 46 -7.819 8.520 11.165 1.00 0.00 O ATOM 706 CB GLN A 46 -10.925 8.004 11.968 1.00 0.00 C ATOM 707 CG GLN A 46 -11.770 8.777 12.968 1.00 0.00 C ATOM 708 CD GLN A 46 -10.937 9.438 14.048 1.00 0.00 C ATOM 709 OE1 GLN A 46 -9.832 9.917 13.790 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.463 9.468 15.267 1.00 0.00 N ATOM 0 H GLN A 46 -11.356 8.316 9.338 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.965 9.855 11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.567 7.318 11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.200 7.396 12.510 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.345 9.538 12.441 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.488 8.100 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.382 9.059 15.436 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.948 9.900 16.034 1.00 0.00 H new ATOM 719 N GLY A 47 -8.918 7.383 9.564 1.00 0.00 N ATOM 720 CA GLY A 47 -7.720 6.706 9.102 1.00 0.00 C ATOM 721 C GLY A 47 -7.977 5.845 7.881 1.00 0.00 C ATOM 722 O GLY A 47 -8.797 6.190 7.030 1.00 0.00 O ATOM 0 H GLY A 47 -9.770 7.140 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.955 7.446 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.325 6.084 9.905 1.00 0.00 H new ATOM 726 N TYR A 48 -7.272 4.722 7.792 1.00 0.00 N ATOM 727 CA TYR A 48 -7.425 3.811 6.664 1.00 0.00 C ATOM 728 C TYR A 48 -7.243 2.362 7.105 1.00 0.00 C ATOM 729 O TYR A 48 -6.272 2.025 7.782 1.00 0.00 O ATOM 730 CB TYR A 48 -6.415 4.152 5.566 1.00 0.00 C ATOM 731 CG TYR A 48 -6.626 5.518 4.952 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.475 5.688 3.865 1.00 0.00 C ATOM 733 CD2 TYR A 48 -5.978 6.637 5.458 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.671 6.933 3.300 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.168 7.886 4.900 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.016 8.029 3.821 1.00 0.00 C ATOM 737 OH TYR A 48 -7.208 9.272 3.262 1.00 0.00 O ATOM 0 H TYR A 48 -6.589 4.421 8.488 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.435 3.928 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.409 4.101 5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.475 3.397 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.990 4.832 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.314 6.529 6.303 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.334 7.048 2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.656 8.746 5.306 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.674 9.935 3.748 1.00 0.00 H new ATOM 747 N ARG A 49 -8.185 1.510 6.715 1.00 0.00 N ATOM 748 CA ARG A 49 -8.131 0.097 7.070 1.00 0.00 C ATOM 749 C ARG A 49 -7.636 -0.741 5.894 1.00 0.00 C ATOM 750 O ARG A 49 -8.347 -0.926 4.907 1.00 0.00 O ATOM 751 CB ARG A 49 -9.510 -0.393 7.514 1.00 0.00 C ATOM 752 CG ARG A 49 -9.459 -1.575 8.468 1.00 0.00 C ATOM 753 CD ARG A 49 -9.452 -1.121 9.919 1.00 0.00 C ATOM 754 NE ARG A 49 -8.716 -2.043 10.778 1.00 0.00 N ATOM 755 CZ ARG A 49 -8.948 -2.180 12.079 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.892 -1.458 12.667 1.00 0.00 N ATOM 757 NH2 ARG A 49 -8.236 -3.041 12.794 1.00 0.00 N ATOM 0 H ARG A 49 -8.995 1.773 6.153 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.429 -0.017 7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.040 0.429 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.088 -0.673 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.318 -2.223 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.567 -2.168 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.006 -0.129 9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.478 -1.034 10.276 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.983 -2.614 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.442 -0.795 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.068 -1.565 13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.509 -3.599 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.415 -3.145 13.793 1.00 0.00 H new ATOM 771 N VAL A 50 -6.411 -1.244 6.007 1.00 0.00 N ATOM 772 CA VAL A 50 -5.820 -2.062 4.954 1.00 0.00 C ATOM 773 C VAL A 50 -6.127 -3.540 5.169 1.00 0.00 C ATOM 774 O VAL A 50 -5.515 -4.195 6.013 1.00 0.00 O ATOM 775 CB VAL A 50 -4.294 -1.870 4.884 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.702 -2.700 3.755 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.949 -0.399 4.712 1.00 0.00 C ATOM 0 H VAL A 50 -5.808 -1.100 6.817 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.263 -1.735 4.013 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.859 -2.214 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.623 -2.551 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.918 -3.755 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.141 -2.390 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.866 -0.282 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.395 -0.026 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.338 0.167 5.558 1.00 0.00 H new ATOM 787 N MET A 51 -7.078 -4.060 4.400 1.00 0.00 N ATOM 788 CA MET A 51 -7.464 -5.462 4.506 1.00 0.00 C ATOM 789 C MET A 51 -6.647 -6.324 3.549 1.00 0.00 C ATOM 790 O MET A 51 -6.623 -6.079 2.343 1.00 0.00 O ATOM 791 CB MET A 51 -8.956 -5.625 4.210 1.00 0.00 C ATOM 792 CG MET A 51 -9.846 -5.374 5.417 1.00 0.00 C ATOM 793 SD MET A 51 -11.511 -6.031 5.201 1.00 0.00 S ATOM 794 CE MET A 51 -11.194 -7.792 5.279 1.00 0.00 C ATOM 0 H MET A 51 -7.595 -3.532 3.697 1.00 0.00 H new ATOM 0 HA MET A 51 -7.264 -5.793 5.525 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.237 -4.937 3.412 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.136 -6.634 3.839 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.392 -5.827 6.298 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.904 -4.302 5.604 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.046 -8.295 5.737 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.042 -8.179 4.272 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.301 -7.975 5.876 1.00 0.00 H new ATOM 804 N TYR A 52 -5.979 -7.334 4.095 1.00 0.00 N ATOM 805 CA TYR A 52 -5.158 -8.232 3.290 1.00 0.00 C ATOM 806 C TYR A 52 -5.398 -9.687 3.681 1.00 0.00 C ATOM 807 O TYR A 52 -5.941 -9.973 4.748 1.00 0.00 O ATOM 808 CB TYR A 52 -3.677 -7.886 3.453 1.00 0.00 C ATOM 809 CG TYR A 52 -3.181 -8.001 4.876 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.461 -7.014 5.813 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.433 -9.099 5.285 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.009 -7.115 7.114 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.978 -9.209 6.584 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.268 -8.215 7.495 1.00 0.00 C ATOM 815 OH TYR A 52 -1.817 -8.320 8.791 1.00 0.00 O ATOM 0 H TYR A 52 -5.990 -7.552 5.091 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.441 -8.104 2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.086 -8.545 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.509 -6.868 3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.042 -6.153 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.204 -9.879 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.234 -6.338 7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.398 -10.069 6.885 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.313 -9.154 8.895 1.00 0.00 H new ATOM 825 N ARG A 53 -4.988 -10.602 2.808 1.00 0.00 N ATOM 826 CA ARG A 53 -5.158 -12.028 3.060 1.00 0.00 C ATOM 827 C ARG A 53 -4.479 -12.857 1.974 1.00 0.00 C ATOM 828 O ARG A 53 -4.289 -12.389 0.852 1.00 0.00 O ATOM 829 CB ARG A 53 -6.645 -12.381 3.132 1.00 0.00 C ATOM 830 CG ARG A 53 -7.335 -12.388 1.778 1.00 0.00 C ATOM 831 CD ARG A 53 -8.499 -13.367 1.751 1.00 0.00 C ATOM 832 NE ARG A 53 -9.218 -13.326 0.481 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.081 -14.259 0.095 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.331 -15.300 0.877 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.697 -14.152 -1.076 1.00 0.00 N ATOM 0 H ARG A 53 -4.536 -10.381 1.921 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.690 -12.261 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.755 -13.363 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.148 -11.666 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.696 -11.386 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.616 -12.654 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.128 -14.377 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.186 -13.136 2.565 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.048 -12.538 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.860 -15.386 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.994 -16.015 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.508 -13.353 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.359 -14.869 -1.371 1.00 0.00 H new ATOM 849 N GLN A 54 -4.116 -14.088 2.317 1.00 0.00 N ATOM 850 CA GLN A 54 -3.457 -14.981 1.370 1.00 0.00 C ATOM 851 C GLN A 54 -4.474 -15.637 0.442 1.00 0.00 C ATOM 852 O GLN A 54 -5.526 -16.102 0.884 1.00 0.00 O ATOM 853 CB GLN A 54 -2.664 -16.055 2.117 1.00 0.00 C ATOM 854 CG GLN A 54 -1.461 -16.571 1.344 1.00 0.00 C ATOM 855 CD GLN A 54 -0.532 -17.408 2.201 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.199 -17.032 3.325 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.108 -18.550 1.674 1.00 0.00 N ATOM 0 H GLN A 54 -4.266 -14.490 3.242 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.771 -14.387 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.326 -15.648 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.325 -16.891 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.805 -17.167 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.908 -15.726 0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.409 -18.823 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.519 -19.155 2.205 1.00 0.00 H new ATOM 866 N THR A 55 -4.155 -15.671 -0.848 1.00 0.00 N ATOM 867 CA THR A 55 -5.041 -16.268 -1.839 1.00 0.00 C ATOM 868 C THR A 55 -4.635 -17.705 -2.144 1.00 0.00 C ATOM 869 O THR A 55 -5.486 -18.585 -2.283 1.00 0.00 O ATOM 870 CB THR A 55 -5.046 -15.458 -3.149 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.715 -15.359 -3.668 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.613 -14.065 -2.922 1.00 0.00 C ATOM 0 H THR A 55 -3.289 -15.292 -1.231 1.00 0.00 H new ATOM 0 HA THR A 55 -6.044 -16.260 -1.412 1.00 0.00 H new ATOM 0 HB THR A 55 -5.679 -15.977 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.726 -14.844 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.606 -13.512 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.636 -14.144 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.003 -13.539 -2.187 1.00 0.00 H new ATOM 880 N SER A 56 -3.331 -17.937 -2.248 1.00 0.00 N ATOM 881 CA SER A 56 -2.812 -19.268 -2.540 1.00 0.00 C ATOM 882 C SER A 56 -2.182 -19.891 -1.298 1.00 0.00 C ATOM 883 O SER A 56 -1.736 -19.186 -0.394 1.00 0.00 O ATOM 884 CB SER A 56 -1.781 -19.201 -3.669 1.00 0.00 C ATOM 885 OG SER A 56 -1.523 -20.488 -4.202 1.00 0.00 O ATOM 0 H SER A 56 -2.614 -17.220 -2.134 1.00 0.00 H new ATOM 0 HA SER A 56 -3.646 -19.894 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.144 -18.543 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.854 -18.767 -3.294 1.00 0.00 H new ATOM 0 HG SER A 56 -0.863 -20.417 -4.923 1.00 0.00 H new ATOM 891 N GLY A 57 -2.151 -21.220 -1.261 1.00 0.00 N ATOM 892 CA GLY A 57 -1.575 -21.917 -0.125 1.00 0.00 C ATOM 893 C GLY A 57 -2.627 -22.401 0.853 1.00 0.00 C ATOM 894 O GLY A 57 -3.823 -22.351 0.564 1.00 0.00 O ATOM 0 H GLY A 57 -2.514 -21.826 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.995 -22.769 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.882 -21.253 0.391 1.00 0.00 H new ATOM 898 N LEU A 58 -2.182 -22.873 2.012 1.00 0.00 N ATOM 899 CA LEU A 58 -3.094 -23.370 3.036 1.00 0.00 C ATOM 900 C LEU A 58 -3.732 -22.216 3.804 1.00 0.00 C ATOM 901 O LEU A 58 -4.955 -22.132 3.911 1.00 0.00 O ATOM 902 CB LEU A 58 -2.351 -24.292 4.004 1.00 0.00 C ATOM 903 CG LEU A 58 -3.186 -25.395 4.655 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.195 -24.799 5.625 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.891 -26.227 3.594 1.00 0.00 C ATOM 0 H LEU A 58 -1.195 -22.922 2.266 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.885 -23.934 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.524 -24.758 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.914 -23.681 4.794 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.517 -26.048 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.780 -25.599 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.669 -24.248 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.860 -24.123 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.481 -27.007 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.548 -25.586 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.150 -26.685 2.939 1.00 0.00 H new ATOM 917 N GLN A 59 -2.895 -21.330 4.333 1.00 0.00 N ATOM 918 CA GLN A 59 -3.378 -20.180 5.089 1.00 0.00 C ATOM 919 C GLN A 59 -4.338 -19.342 4.250 1.00 0.00 C ATOM 920 O GLN A 59 -5.034 -18.471 4.771 1.00 0.00 O ATOM 921 CB GLN A 59 -2.203 -19.318 5.554 1.00 0.00 C ATOM 922 CG GLN A 59 -1.152 -20.093 6.332 1.00 0.00 C ATOM 923 CD GLN A 59 -0.126 -20.752 5.431 1.00 0.00 C ATOM 924 OE1 GLN A 59 -0.218 -20.673 4.205 1.00 0.00 O ATOM 925 NE2 GLN A 59 0.859 -21.406 6.034 1.00 0.00 N ATOM 0 H GLN A 59 -1.880 -21.386 4.252 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.915 -20.551 5.962 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.734 -18.858 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.581 -18.508 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.644 -19.418 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.642 -20.856 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.896 -21.446 7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.579 -21.869 5.479 1.00 0.00 H new ATOM 934 N ALA A 60 -4.370 -19.612 2.950 1.00 0.00 N ATOM 935 CA ALA A 60 -5.246 -18.884 2.040 1.00 0.00 C ATOM 936 C ALA A 60 -6.711 -19.214 2.306 1.00 0.00 C ATOM 937 O ALA A 60 -7.025 -20.199 2.975 1.00 0.00 O ATOM 938 CB ALA A 60 -4.886 -19.199 0.595 1.00 0.00 C ATOM 0 H ALA A 60 -3.800 -20.330 2.503 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.104 -17.817 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.548 -18.649 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.853 -18.906 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.998 -20.268 0.417 1.00 0.00 H new ATOM 944 N THR A 61 -7.605 -18.383 1.779 1.00 0.00 N ATOM 945 CA THR A 61 -9.037 -18.586 1.961 1.00 0.00 C ATOM 946 C THR A 61 -9.358 -18.980 3.398 1.00 0.00 C ATOM 947 O THR A 61 -10.360 -19.645 3.660 1.00 0.00 O ATOM 948 CB THR A 61 -9.576 -19.671 1.010 1.00 0.00 C ATOM 949 OG1 THR A 61 -10.983 -19.844 1.213 1.00 0.00 O ATOM 950 CG2 THR A 61 -8.859 -20.994 1.237 1.00 0.00 C ATOM 0 H THR A 61 -7.363 -17.563 1.223 1.00 0.00 H new ATOM 0 HA THR A 61 -9.523 -17.638 1.730 1.00 0.00 H new ATOM 0 HB THR A 61 -9.394 -19.349 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.158 -20.016 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.256 -21.745 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.792 -20.866 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.014 -21.320 2.265 1.00 0.00 H new ATOM 958 N SER A 62 -8.501 -18.565 4.326 1.00 0.00 N ATOM 959 CA SER A 62 -8.693 -18.878 5.738 1.00 0.00 C ATOM 960 C SER A 62 -9.448 -17.757 6.445 1.00 0.00 C ATOM 961 O SER A 62 -10.576 -17.945 6.902 1.00 0.00 O ATOM 962 CB SER A 62 -7.342 -19.106 6.419 1.00 0.00 C ATOM 963 OG SER A 62 -7.510 -19.658 7.713 1.00 0.00 O ATOM 0 H SER A 62 -7.668 -18.012 4.126 1.00 0.00 H new ATOM 0 HA SER A 62 -9.285 -19.791 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.733 -19.775 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.803 -18.161 6.490 1.00 0.00 H new ATOM 0 HG SER A 62 -6.632 -19.796 8.126 1.00 0.00 H new ATOM 969 N SER A 63 -8.818 -16.590 6.532 1.00 0.00 N ATOM 970 CA SER A 63 -9.428 -15.439 7.187 1.00 0.00 C ATOM 971 C SER A 63 -8.781 -14.140 6.716 1.00 0.00 C ATOM 972 O SER A 63 -7.570 -14.078 6.506 1.00 0.00 O ATOM 973 CB SER A 63 -9.301 -15.563 8.706 1.00 0.00 C ATOM 974 OG SER A 63 -10.388 -14.932 9.362 1.00 0.00 O ATOM 0 H SER A 63 -7.885 -16.417 6.157 1.00 0.00 H new ATOM 0 HA SER A 63 -10.484 -15.417 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.265 -16.616 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.364 -15.113 9.034 1.00 0.00 H new ATOM 0 HG SER A 63 -10.284 -15.027 10.332 1.00 0.00 H new ATOM 980 N TRP A 64 -9.597 -13.105 6.552 1.00 0.00 N ATOM 981 CA TRP A 64 -9.105 -11.807 6.106 1.00 0.00 C ATOM 982 C TRP A 64 -8.452 -11.048 7.255 1.00 0.00 C ATOM 983 O TRP A 64 -8.725 -11.320 8.424 1.00 0.00 O ATOM 984 CB TRP A 64 -10.249 -10.980 5.517 1.00 0.00 C ATOM 985 CG TRP A 64 -10.422 -11.170 4.040 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.259 -12.053 3.420 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.739 -10.464 2.999 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.138 -11.938 2.057 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.212 -10.969 1.773 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.775 -9.452 2.984 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.752 -10.497 0.546 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.319 -8.985 1.766 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.808 -9.506 0.561 1.00 0.00 C ATOM 0 H TRP A 64 -10.602 -13.140 6.721 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.354 -11.977 5.335 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.178 -11.247 6.021 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.067 -9.925 5.721 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.919 -12.741 3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.654 -12.485 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.393 -9.042 3.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.127 -10.899 -0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.573 -8.205 1.743 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.433 -9.118 -0.374 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.589 -10.095 6.915 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.897 -9.298 7.921 1.00 0.00 C ATOM 1006 C GLN A 65 -7.232 -7.818 7.767 1.00 0.00 C ATOM 1007 O GLN A 65 -7.988 -7.432 6.877 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.385 -9.505 7.815 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.886 -10.734 8.557 1.00 0.00 C ATOM 1010 CD GLN A 65 -5.368 -10.785 9.993 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -6.065 -11.717 10.393 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -4.997 -9.780 10.778 1.00 0.00 N ATOM 0 H GLN A 65 -7.353 -9.857 5.952 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.233 -9.628 8.904 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.111 -9.590 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.878 -8.623 8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.220 -11.630 8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.796 -10.744 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.418 -9.028 10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.291 -9.761 11.755 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.664 -6.994 8.641 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.903 -5.556 8.603 1.00 0.00 C ATOM 1023 C ASN A 66 -5.860 -4.808 9.428 1.00 0.00 C ATOM 1024 O ASN A 66 -5.692 -5.069 10.620 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.306 -5.237 9.125 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.695 -6.105 10.305 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -7.914 -6.288 11.240 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.907 -6.646 10.268 1.00 0.00 N ATOM 0 H ASN A 66 -6.035 -7.297 9.384 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.824 -5.228 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.352 -4.188 9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.030 -5.375 8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.224 -7.240 11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.521 -6.467 9.473 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.162 -3.878 8.786 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.134 -3.091 9.460 1.00 0.00 C ATOM 1037 C LEU A 67 -4.616 -1.666 9.708 1.00 0.00 C ATOM 1038 O LEU A 67 -4.561 -0.817 8.818 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.852 -3.071 8.626 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.646 -2.383 9.268 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.930 -3.334 10.214 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.691 -1.874 8.198 1.00 0.00 C ATOM 0 H LEU A 67 -5.289 -3.650 7.800 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.926 -3.557 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.577 -4.100 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.066 -2.576 7.679 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.003 -1.530 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.075 -2.827 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.616 -3.651 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.585 -4.207 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.161 -1.387 8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.341 -2.712 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.208 -1.158 7.559 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.085 -1.409 10.924 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.574 -0.085 11.291 1.00 0.00 C ATOM 1056 C ASP A 68 -4.429 0.923 11.335 1.00 0.00 C ATOM 1057 O ASP A 68 -3.578 0.872 12.222 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.277 -0.136 12.649 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.554 -1.022 13.643 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.585 -0.545 14.269 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.957 -2.194 13.795 1.00 0.00 O ATOM 0 H ASP A 68 -5.137 -2.100 11.672 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.288 0.235 10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.352 0.873 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.295 -0.502 12.514 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.417 1.838 10.371 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.378 2.859 10.300 1.00 0.00 C ATOM 1068 C ALA A 69 -3.538 3.884 11.418 1.00 0.00 C ATOM 1069 O ALA A 69 -2.554 4.416 11.931 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.406 3.546 8.943 1.00 0.00 C ATOM 0 H ALA A 69 -5.114 1.893 9.629 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.412 2.370 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.625 4.306 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.235 2.809 8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.378 4.016 8.793 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.784 4.156 11.790 1.00 0.00 N ATOM 1077 CA LYS A 70 -5.074 5.117 12.848 1.00 0.00 C ATOM 1078 C LYS A 70 -4.397 6.455 12.568 1.00 0.00 C ATOM 1079 O LYS A 70 -3.969 7.150 13.489 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.611 4.573 14.201 1.00 0.00 C ATOM 1081 CG LYS A 70 -5.486 3.453 14.737 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.225 3.199 16.212 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.631 1.790 16.616 1.00 0.00 C ATOM 1084 NZ LYS A 70 -5.586 1.601 18.093 1.00 0.00 N ATOM 0 H LYS A 70 -5.610 3.725 11.375 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.152 5.274 12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.588 4.210 14.106 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.594 5.388 14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.536 3.708 14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.298 2.541 14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.167 3.349 16.426 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.778 3.924 16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.639 1.585 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.968 1.070 16.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.869 0.628 18.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.619 1.772 18.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.238 2.271 18.549 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.305 6.811 11.290 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.683 8.067 10.889 1.00 0.00 C ATOM 1100 C VAL A 71 -4.208 8.533 9.536 1.00 0.00 C ATOM 1101 O VAL A 71 -3.932 7.936 8.496 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.150 7.935 10.815 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.522 9.247 10.370 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.588 7.493 12.158 1.00 0.00 C ATOM 0 H VAL A 71 -4.654 6.247 10.515 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.941 8.805 11.649 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.903 7.173 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.439 9.135 10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.902 9.516 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.775 10.032 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.504 7.405 12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.843 8.230 12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.014 6.527 12.430 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.984 9.627 9.548 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.564 10.199 8.329 1.00 0.00 C ATOM 1116 C PRO A 72 -4.510 10.837 7.430 1.00 0.00 C ATOM 1117 O PRO A 72 -4.712 10.980 6.223 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.527 11.264 8.861 1.00 0.00 C ATOM 1119 CG PRO A 72 -5.979 11.639 10.194 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.354 10.390 10.752 1.00 0.00 C ATOM 0 HA PRO A 72 -6.044 9.440 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.572 12.126 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.541 10.874 8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.242 12.437 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.767 12.007 10.850 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.483 10.617 11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.053 9.837 11.380 1.00 0.00 H new ATOM 1128 N THR A 73 -3.383 11.217 8.024 1.00 0.00 N ATOM 1129 CA THR A 73 -2.298 11.840 7.276 1.00 0.00 C ATOM 1130 C THR A 73 -1.459 10.794 6.551 1.00 0.00 C ATOM 1131 O THR A 73 -0.845 11.082 5.524 1.00 0.00 O ATOM 1132 CB THR A 73 -1.382 12.666 8.199 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.815 11.823 9.209 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.154 13.801 8.854 1.00 0.00 C ATOM 0 H THR A 73 -3.198 11.104 9.021 1.00 0.00 H new ATOM 0 HA THR A 73 -2.759 12.504 6.544 1.00 0.00 H new ATOM 0 HB THR A 73 -0.584 13.094 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.233 12.355 9.790 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.486 14.370 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.559 14.457 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.971 13.390 9.447 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.440 9.579 7.091 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.675 8.491 6.493 1.00 0.00 C ATOM 1144 C GLU A 74 -1.449 7.849 5.345 1.00 0.00 C ATOM 1145 O GLU A 74 -2.477 7.206 5.558 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.338 7.435 7.548 1.00 0.00 C ATOM 1147 CG GLU A 74 0.999 7.664 8.233 1.00 0.00 C ATOM 1148 CD GLU A 74 1.597 6.385 8.786 1.00 0.00 C ATOM 1149 OE1 GLU A 74 0.850 5.599 9.405 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.813 6.171 8.599 1.00 0.00 O ATOM 0 H GLU A 74 -1.945 9.324 7.940 1.00 0.00 H new ATOM 0 HA GLU A 74 0.251 8.907 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.125 7.422 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.332 6.452 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.696 8.109 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.870 8.381 9.044 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.948 8.030 4.127 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.592 7.471 2.945 1.00 0.00 C ATOM 1159 C ARG A 75 -0.830 6.251 2.436 1.00 0.00 C ATOM 1160 O ARG A 75 -0.799 5.982 1.235 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.683 8.525 1.841 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.618 9.677 2.175 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.252 10.261 0.922 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.283 10.990 0.107 1.00 0.00 N ATOM 1165 CZ ARG A 75 -1.875 12.224 0.380 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -2.348 12.863 1.441 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -0.990 12.822 -0.409 1.00 0.00 N ATOM 0 H ARG A 75 -0.098 8.560 3.933 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.598 7.159 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.687 8.922 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.022 8.048 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.399 9.329 2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.065 10.455 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.692 9.458 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.064 10.931 1.205 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.899 10.526 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.027 12.407 2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.033 13.811 1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.623 12.334 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.677 13.770 -0.198 1.00 0.00 H new ATOM 1181 N SER A 76 -0.216 5.516 3.358 1.00 0.00 N ATOM 1182 CA SER A 76 0.551 4.327 3.002 1.00 0.00 C ATOM 1183 C SER A 76 0.896 3.512 4.244 1.00 0.00 C ATOM 1184 O SER A 76 1.397 4.047 5.233 1.00 0.00 O ATOM 1185 CB SER A 76 1.832 4.722 2.265 1.00 0.00 C ATOM 1186 OG SER A 76 2.656 5.539 3.078 1.00 0.00 O ATOM 0 H SER A 76 -0.235 5.723 4.357 1.00 0.00 H new ATOM 0 HA SER A 76 -0.063 3.712 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.379 3.825 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.579 5.254 1.348 1.00 0.00 H new ATOM 0 HG SER A 76 3.469 5.777 2.585 1.00 0.00 H new ATOM 1192 N ALA A 77 0.623 2.212 4.186 1.00 0.00 N ATOM 1193 CA ALA A 77 0.906 1.321 5.304 1.00 0.00 C ATOM 1194 C ALA A 77 1.874 0.216 4.895 1.00 0.00 C ATOM 1195 O ALA A 77 2.182 0.053 3.714 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.385 0.722 5.841 1.00 0.00 C ATOM 0 H ALA A 77 0.206 1.753 3.376 1.00 0.00 H new ATOM 0 HA ALA A 77 1.378 1.907 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.159 0.059 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.043 1.522 6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.880 0.156 5.052 1.00 0.00 H new ATOM 1202 N VAL A 78 2.352 -0.540 5.878 1.00 0.00 N ATOM 1203 CA VAL A 78 3.285 -1.630 5.619 1.00 0.00 C ATOM 1204 C VAL A 78 2.816 -2.923 6.278 1.00 0.00 C ATOM 1205 O VAL A 78 2.604 -2.974 7.490 1.00 0.00 O ATOM 1206 CB VAL A 78 4.699 -1.291 6.128 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.668 -2.417 5.801 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.177 0.025 5.534 1.00 0.00 C ATOM 0 H VAL A 78 2.109 -0.418 6.861 1.00 0.00 H new ATOM 0 HA VAL A 78 3.319 -1.768 4.538 1.00 0.00 H new ATOM 0 HB VAL A 78 4.660 -1.181 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.662 -2.160 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.331 -3.337 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.706 -2.562 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.177 0.249 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.201 -0.054 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.495 0.824 5.824 1.00 0.00 H new ATOM 1218 N LEU A 79 2.656 -3.967 5.472 1.00 0.00 N ATOM 1219 CA LEU A 79 2.212 -5.262 5.976 1.00 0.00 C ATOM 1220 C LEU A 79 3.402 -6.175 6.253 1.00 0.00 C ATOM 1221 O LEU A 79 4.003 -6.725 5.331 1.00 0.00 O ATOM 1222 CB LEU A 79 1.268 -5.926 4.972 1.00 0.00 C ATOM 1223 CG LEU A 79 0.109 -5.064 4.469 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.620 -5.761 3.331 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.852 -4.746 5.605 1.00 0.00 C ATOM 0 H LEU A 79 2.827 -3.942 4.467 1.00 0.00 H new ATOM 0 HA LEU A 79 1.679 -5.097 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.854 -6.249 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.854 -6.824 5.431 1.00 0.00 H new ATOM 0 HG LEU A 79 0.517 -4.126 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.441 -5.133 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.073 -5.936 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.015 -6.714 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.670 -4.132 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.253 -5.674 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.323 -4.204 6.389 1.00 0.00 H new ATOM 1237 N VAL A 80 3.735 -6.333 7.530 1.00 0.00 N ATOM 1238 CA VAL A 80 4.851 -7.182 7.929 1.00 0.00 C ATOM 1239 C VAL A 80 4.374 -8.587 8.282 1.00 0.00 C ATOM 1240 O VAL A 80 3.174 -8.841 8.374 1.00 0.00 O ATOM 1241 CB VAL A 80 5.604 -6.590 9.136 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.086 -5.181 8.825 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.718 -6.598 10.372 1.00 0.00 C ATOM 0 H VAL A 80 3.248 -5.884 8.306 1.00 0.00 H new ATOM 0 HA VAL A 80 5.529 -7.234 7.077 1.00 0.00 H new ATOM 0 HB VAL A 80 6.477 -7.211 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.616 -4.779 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.758 -5.207 7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.230 -4.546 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.266 -6.177 11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.826 -6.001 10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.427 -7.622 10.604 1.00 0.00 H new ATOM 1253 N ASN A 81 5.323 -9.496 8.478 1.00 0.00 N ATOM 1254 CA ASN A 81 5.000 -10.876 8.821 1.00 0.00 C ATOM 1255 C ASN A 81 4.202 -11.542 7.703 1.00 0.00 C ATOM 1256 O ASN A 81 3.177 -12.177 7.951 1.00 0.00 O ATOM 1257 CB ASN A 81 4.207 -10.927 10.128 1.00 0.00 C ATOM 1258 CG ASN A 81 4.966 -10.314 11.289 1.00 0.00 C ATOM 1259 OD1 ASN A 81 6.183 -10.461 11.396 1.00 0.00 O ATOM 1260 ND2 ASN A 81 4.248 -9.621 12.165 1.00 0.00 N ATOM 0 H ASN A 81 6.322 -9.302 8.405 1.00 0.00 H new ATOM 0 HA ASN A 81 5.936 -11.420 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.262 -10.400 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.965 -11.964 10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.704 -9.185 12.966 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.241 -9.525 12.037 1.00 0.00 H new ATOM 1267 N LEU A 82 4.680 -11.392 6.473 1.00 0.00 N ATOM 1268 CA LEU A 82 4.013 -11.979 5.316 1.00 0.00 C ATOM 1269 C LEU A 82 4.717 -13.257 4.871 1.00 0.00 C ATOM 1270 O LEU A 82 5.834 -13.546 5.303 1.00 0.00 O ATOM 1271 CB LEU A 82 3.974 -10.976 4.162 1.00 0.00 C ATOM 1272 CG LEU A 82 3.250 -9.658 4.441 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.444 -8.687 3.287 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.769 -9.906 4.689 1.00 0.00 C ATOM 0 H LEU A 82 5.527 -10.869 6.251 1.00 0.00 H new ATOM 0 HA LEU A 82 2.993 -12.231 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.999 -10.749 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.497 -11.455 3.307 1.00 0.00 H new ATOM 0 HG LEU A 82 3.679 -9.213 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.922 -7.755 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.507 -8.485 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.042 -9.124 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.269 -8.958 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.326 -10.374 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.649 -10.565 5.549 1.00 0.00 H new ATOM 1286 N LYS A 83 4.059 -14.017 4.003 1.00 0.00 N ATOM 1287 CA LYS A 83 4.622 -15.263 3.496 1.00 0.00 C ATOM 1288 C LYS A 83 5.411 -15.020 2.213 1.00 0.00 C ATOM 1289 O LYS A 83 5.039 -14.182 1.392 1.00 0.00 O ATOM 1290 CB LYS A 83 3.510 -16.282 3.238 1.00 0.00 C ATOM 1291 CG LYS A 83 3.040 -16.999 4.491 1.00 0.00 C ATOM 1292 CD LYS A 83 2.504 -18.385 4.173 1.00 0.00 C ATOM 1293 CE LYS A 83 3.624 -19.410 4.088 1.00 0.00 C ATOM 1294 NZ LYS A 83 4.197 -19.718 5.428 1.00 0.00 N ATOM 0 H LYS A 83 3.135 -13.792 3.635 1.00 0.00 H new ATOM 0 HA LYS A 83 5.301 -15.660 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.661 -15.773 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.865 -17.020 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.867 -17.081 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.263 -16.410 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.792 -18.686 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.961 -18.358 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.244 -20.326 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.411 -19.035 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.725 -20.613 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.839 -18.952 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.428 -19.805 6.123 1.00 0.00 H new ATOM 1308 N LYS A 84 6.503 -15.760 2.046 1.00 0.00 N ATOM 1309 CA LYS A 84 7.343 -15.628 0.862 1.00 0.00 C ATOM 1310 C LYS A 84 6.899 -16.594 -0.231 1.00 0.00 C ATOM 1311 O LYS A 84 6.619 -17.762 0.036 1.00 0.00 O ATOM 1312 CB LYS A 84 8.809 -15.885 1.221 1.00 0.00 C ATOM 1313 CG LYS A 84 9.078 -17.301 1.701 1.00 0.00 C ATOM 1314 CD LYS A 84 10.566 -17.610 1.718 1.00 0.00 C ATOM 1315 CE LYS A 84 11.227 -17.099 2.989 1.00 0.00 C ATOM 1316 NZ LYS A 84 12.668 -17.470 3.052 1.00 0.00 N ATOM 0 H LYS A 84 6.826 -16.457 2.716 1.00 0.00 H new ATOM 0 HA LYS A 84 7.240 -14.610 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.429 -15.682 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.113 -15.183 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.667 -17.431 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.565 -18.010 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.716 -18.687 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.043 -17.155 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.129 -16.015 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.709 -17.506 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.083 -17.104 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.761 -18.506 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.168 -17.060 2.237 1.00 0.00 H new ATOM 1330 N GLY A 85 6.839 -16.100 -1.464 1.00 0.00 N ATOM 1331 CA GLY A 85 6.430 -16.934 -2.578 1.00 0.00 C ATOM 1332 C GLY A 85 4.936 -17.189 -2.594 1.00 0.00 C ATOM 1333 O GLY A 85 4.495 -18.339 -2.608 1.00 0.00 O ATOM 0 H GLY A 85 7.067 -15.137 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.724 -16.456 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.957 -17.887 -2.527 1.00 0.00 H new ATOM 1337 N VAL A 86 4.154 -16.115 -2.589 1.00 0.00 N ATOM 1338 CA VAL A 86 2.700 -16.228 -2.602 1.00 0.00 C ATOM 1339 C VAL A 86 2.047 -14.879 -2.882 1.00 0.00 C ATOM 1340 O VAL A 86 2.577 -13.830 -2.513 1.00 0.00 O ATOM 1341 CB VAL A 86 2.168 -16.776 -1.265 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.445 -15.794 -0.137 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.680 -17.077 -1.368 1.00 0.00 C ATOM 0 H VAL A 86 4.502 -15.156 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 86 2.443 -16.925 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 86 2.689 -17.706 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.062 -16.199 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.520 -15.633 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.952 -14.846 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.320 -17.463 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.140 -16.163 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.512 -17.820 -2.147 1.00 0.00 H new ATOM 1353 N THR A 87 0.890 -14.912 -3.537 1.00 0.00 N ATOM 1354 CA THR A 87 0.164 -13.693 -3.868 1.00 0.00 C ATOM 1355 C THR A 87 -0.687 -13.224 -2.693 1.00 0.00 C ATOM 1356 O THR A 87 -1.159 -14.033 -1.894 1.00 0.00 O ATOM 1357 CB THR A 87 -0.745 -13.895 -5.096 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.034 -14.599 -6.120 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.231 -12.559 -5.635 1.00 0.00 C ATOM 0 H THR A 87 0.436 -15.771 -3.849 1.00 0.00 H new ATOM 0 HA THR A 87 0.911 -12.934 -4.099 1.00 0.00 H new ATOM 0 HB THR A 87 -1.611 -14.480 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.618 -14.725 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.871 -12.727 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.796 -12.039 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.375 -11.952 -5.929 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.878 -11.913 -2.593 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.671 -11.336 -1.514 1.00 0.00 C ATOM 1369 C TYR A 88 -2.579 -10.228 -2.037 1.00 0.00 C ATOM 1370 O TYR A 88 -2.116 -9.280 -2.672 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.755 -10.787 -0.419 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.343 -11.823 0.602 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.209 -12.209 1.618 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.913 -12.415 0.553 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.837 -13.155 2.553 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.293 -13.362 1.483 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.415 -13.729 2.481 1.00 0.00 C ATOM 1378 OH TYR A 88 0.791 -14.672 3.411 1.00 0.00 O ATOM 0 H TYR A 88 -0.494 -11.230 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.296 -12.124 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.139 -10.369 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.263 -9.968 0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.190 -11.761 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.604 -12.129 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.523 -13.444 3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.273 -13.813 1.429 1.00 0.00 H new ATOM 0 HH TYR A 88 0.088 -15.349 3.493 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.874 -10.354 -1.765 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.847 -9.364 -2.208 1.00 0.00 C ATOM 1390 C GLU A 89 -5.118 -8.338 -1.111 1.00 0.00 C ATOM 1391 O GLU A 89 -5.506 -8.693 0.003 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.154 -10.047 -2.617 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.228 -9.078 -3.083 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.195 -9.709 -4.066 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -7.739 -10.185 -5.126 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.409 -9.727 -3.773 1.00 0.00 O ATOM 0 H GLU A 89 -4.273 -11.132 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.431 -8.845 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.947 -10.759 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.535 -10.619 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.782 -8.712 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.755 -8.213 -3.548 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.911 -7.066 -1.434 1.00 0.00 N ATOM 1404 CA ILE A 90 -5.133 -5.989 -0.477 1.00 0.00 C ATOM 1405 C ILE A 90 -5.886 -4.829 -1.119 1.00 0.00 C ATOM 1406 O ILE A 90 -5.752 -4.574 -2.316 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.805 -5.467 0.101 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.951 -6.631 0.607 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -4.069 -4.471 1.221 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -2.025 -7.203 -0.443 1.00 0.00 C ATOM 0 H ILE A 90 -4.590 -6.756 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.733 -6.405 0.332 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.257 -4.956 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.358 -6.293 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.608 -7.422 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.120 -4.111 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.642 -3.629 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.634 -4.958 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.451 -8.024 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.612 -7.572 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.344 -6.426 -0.789 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.678 -4.128 -0.316 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.451 -2.991 -0.803 1.00 0.00 C ATOM 1424 C LYS A 91 -7.562 -1.910 0.266 1.00 0.00 C ATOM 1425 O LYS A 91 -7.832 -2.200 1.432 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.848 -3.445 -1.232 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.640 -4.109 -0.119 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.418 -5.612 -0.095 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.256 -6.282 0.983 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.627 -6.604 0.499 1.00 0.00 N ATOM 0 H LYS A 91 -6.802 -4.327 0.677 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.931 -2.572 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.405 -2.582 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.755 -4.141 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.348 -3.682 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.701 -3.899 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.670 -6.034 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.363 -5.822 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.762 -7.197 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.322 -5.627 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.167 -7.059 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.108 -5.728 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.565 -7.250 -0.314 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.354 -0.660 -0.138 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.433 0.465 0.786 1.00 0.00 C ATOM 1446 C VAL A 92 -8.859 0.997 0.883 1.00 0.00 C ATOM 1447 O VAL A 92 -9.448 1.408 -0.117 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.498 1.611 0.356 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.589 2.771 1.335 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.065 1.113 0.239 1.00 0.00 C ATOM 0 H VAL A 92 -7.130 -0.402 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.118 0.096 1.762 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.816 1.968 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.921 3.571 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.613 3.143 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.298 2.432 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.418 1.935 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.734 0.729 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.016 0.318 -0.505 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.408 0.986 2.093 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.765 1.467 2.321 1.00 0.00 C ATOM 1462 C ARG A 93 -10.794 2.503 3.440 1.00 0.00 C ATOM 1463 O ARG A 93 -10.529 2.203 4.604 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.691 0.299 2.668 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.086 -0.684 3.657 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.144 -1.606 4.243 1.00 0.00 C ATOM 1467 NE ARG A 93 -11.627 -2.392 5.360 1.00 0.00 N ATOM 1468 CZ ARG A 93 -12.383 -3.181 6.116 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.682 -3.288 5.875 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -11.839 -3.864 7.114 1.00 0.00 N ATOM 0 H ARG A 93 -8.934 0.649 2.931 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.115 1.939 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.619 0.693 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.950 -0.233 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.320 -1.278 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.593 -0.137 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.995 -1.014 4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.510 -2.277 3.466 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.631 -2.332 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.103 -2.764 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.260 -3.894 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.840 -3.784 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.420 -4.469 7.694 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.123 3.753 3.081 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.194 4.859 4.041 1.00 0.00 C ATOM 1486 C PRO A 94 -12.372 4.720 4.999 1.00 0.00 C ATOM 1487 O PRO A 94 -13.521 4.951 4.623 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.373 6.091 3.149 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.001 5.569 1.903 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.451 4.182 1.711 1.00 0.00 C ATOM 0 HA PRO A 94 -10.312 4.902 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.006 6.838 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.417 6.570 2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.087 5.549 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.763 6.205 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.182 3.520 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.570 4.184 1.069 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.078 4.341 6.238 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.114 4.170 7.250 1.00 0.00 C ATOM 1500 C TYR A 95 -13.120 5.341 8.228 1.00 0.00 C ATOM 1501 O TYR A 95 -12.113 6.029 8.397 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.902 2.859 8.010 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.920 2.974 9.154 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.343 3.355 10.422 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.570 2.703 8.968 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.450 3.463 11.470 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.671 2.806 10.011 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.115 3.187 11.260 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.222 3.292 12.301 1.00 0.00 O ATOM 0 H TYR A 95 -11.132 4.147 6.565 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.079 4.138 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.861 2.515 8.398 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.548 2.098 7.314 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.388 3.570 10.591 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.218 2.407 7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.795 3.762 12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.625 2.589 9.850 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.323 3.062 11.985 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.263 5.562 8.869 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.403 6.650 9.830 1.00 0.00 C ATOM 1521 C PHE A 96 -14.388 6.118 11.260 1.00 0.00 C ATOM 1522 O PHE A 96 -13.440 6.349 12.010 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.699 7.421 9.574 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.010 8.438 10.634 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.244 9.586 10.759 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.070 8.247 11.507 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.528 10.524 11.733 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.359 9.182 12.483 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.586 10.321 12.597 1.00 0.00 C ATOM 0 H PHE A 96 -15.106 5.002 8.740 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.556 7.325 9.703 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.629 7.923 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.526 6.714 9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.415 9.750 10.087 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.677 7.357 11.423 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.923 11.415 11.818 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.188 9.022 13.156 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.809 11.052 13.361 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.446 5.404 11.631 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.556 4.840 12.971 1.00 0.00 C ATOM 1541 C ASN A 97 -15.856 3.345 12.909 1.00 0.00 C ATOM 1542 O ASN A 97 -14.999 2.517 13.219 1.00 0.00 O ATOM 1543 CB ASN A 97 -16.651 5.558 13.761 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.338 5.639 15.242 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -15.999 4.636 15.872 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -16.449 6.836 15.807 1.00 0.00 N ATOM 0 H ASN A 97 -16.239 5.202 11.022 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.601 4.981 13.477 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.780 6.565 13.364 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.598 5.036 13.621 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.250 6.951 16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.733 7.640 15.247 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.077 3.008 12.505 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.489 1.613 12.403 1.00 0.00 C ATOM 1555 C GLU A 98 -17.698 1.213 10.945 1.00 0.00 C ATOM 1556 O GLU A 98 -17.423 0.078 10.555 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.775 1.378 13.197 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.657 0.285 12.619 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.466 -0.435 13.680 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -19.992 -0.517 14.833 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.572 -0.917 13.359 1.00 0.00 O ATOM 0 H GLU A 98 -17.797 3.681 12.243 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.695 0.995 12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.516 1.119 14.224 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.342 2.308 13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.334 0.721 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.035 -0.437 12.090 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.187 2.154 10.144 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.436 1.900 8.730 1.00 0.00 C ATOM 1570 C PHE A 99 -17.148 2.023 7.921 1.00 0.00 C ATOM 1571 O PHE A 99 -16.183 2.646 8.363 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.484 2.876 8.191 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.265 4.295 8.632 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.684 4.718 9.883 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.641 5.205 7.795 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.484 6.023 10.292 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.437 6.511 8.198 1.00 0.00 C ATOM 1578 CZ PHE A 99 -18.860 6.921 9.448 1.00 0.00 C ATOM 0 H PHE A 99 -18.419 3.099 10.450 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.812 0.882 8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.478 2.838 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.472 2.551 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.173 4.020 10.546 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.310 4.890 6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -19.815 6.340 11.270 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.947 7.211 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.703 7.942 9.764 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.142 1.424 6.735 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.972 1.465 5.864 1.00 0.00 C ATOM 1590 C GLN A 100 -16.278 2.225 4.578 1.00 0.00 C ATOM 1591 O GLN A 100 -17.380 2.134 4.038 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.505 0.046 5.535 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.516 -0.755 4.731 1.00 0.00 C ATOM 1594 CD GLN A 100 -15.863 -1.800 3.847 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -15.008 -1.482 3.020 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -16.263 -3.054 4.018 1.00 0.00 N ATOM 0 H GLN A 100 -17.933 0.905 6.355 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.175 1.988 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.570 0.100 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.292 -0.482 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.211 -1.245 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.102 -0.076 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.975 -3.272 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.859 -3.800 3.452 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.293 2.974 4.090 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.477 3.739 2.871 1.00 0.00 C ATOM 1607 C GLY A 101 -15.242 2.908 1.625 1.00 0.00 C ATOM 1608 O GLY A 101 -14.548 1.893 1.669 1.00 0.00 O ATOM 0 H GLY A 101 -14.371 3.064 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.489 4.144 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.794 4.588 2.872 1.00 0.00 H new ATOM 1612 N MET A 102 -15.824 3.339 0.510 1.00 0.00 N ATOM 1613 CA MET A 102 -15.674 2.627 -0.754 1.00 0.00 C ATOM 1614 C MET A 102 -14.274 2.034 -0.881 1.00 0.00 C ATOM 1615 O MET A 102 -13.282 2.761 -0.909 1.00 0.00 O ATOM 1616 CB MET A 102 -15.951 3.567 -1.929 1.00 0.00 C ATOM 1617 CG MET A 102 -16.603 2.878 -3.117 1.00 0.00 C ATOM 1618 SD MET A 102 -16.113 3.602 -4.694 1.00 0.00 S ATOM 1619 CE MET A 102 -14.365 3.215 -4.716 1.00 0.00 C ATOM 0 H MET A 102 -16.403 4.177 0.456 1.00 0.00 H new ATOM 0 HA MET A 102 -16.398 1.812 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 102 -16.596 4.378 -1.591 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.013 4.019 -2.251 1.00 0.00 H new ATOM 0 HG2 MET A 102 -16.338 1.821 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.687 2.936 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 102 -14.032 3.092 -5.747 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.807 4.026 -4.249 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.190 2.290 -4.166 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.203 0.709 -0.958 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.925 0.018 -1.083 1.00 0.00 C ATOM 1631 C ASP A 103 -12.443 0.025 -2.530 1.00 0.00 C ATOM 1632 O ASP A 103 -13.176 -0.359 -3.441 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.047 -1.421 -0.580 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.175 -2.176 -1.255 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -15.343 -1.973 -0.863 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -13.890 -2.971 -2.175 1.00 0.00 O ATOM 0 H ASP A 103 -15.015 0.093 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.193 0.547 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.107 -1.945 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.212 -1.414 0.497 1.00 0.00 H new ATOM 1641 N SER A 104 -11.205 0.465 -2.734 1.00 0.00 N ATOM 1642 CA SER A 104 -10.627 0.527 -4.071 1.00 0.00 C ATOM 1643 C SER A 104 -10.502 -0.869 -4.674 1.00 0.00 C ATOM 1644 O SER A 104 -10.796 -1.868 -4.018 1.00 0.00 O ATOM 1645 CB SER A 104 -9.253 1.199 -4.025 1.00 0.00 C ATOM 1646 OG SER A 104 -8.980 1.885 -5.235 1.00 0.00 O ATOM 0 H SER A 104 -10.584 0.784 -1.991 1.00 0.00 H new ATOM 0 HA SER A 104 -11.292 1.118 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.215 1.899 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.483 0.448 -3.847 1.00 0.00 H new ATOM 0 HG SER A 104 -8.744 2.815 -5.037 1.00 0.00 H new ATOM 1652 N GLU A 105 -10.064 -0.928 -5.928 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.901 -2.202 -6.620 1.00 0.00 C ATOM 1654 C GLU A 105 -8.843 -3.062 -5.934 1.00 0.00 C ATOM 1655 O GLU A 105 -7.681 -2.670 -5.831 1.00 0.00 O ATOM 1656 CB GLU A 105 -9.515 -1.967 -8.082 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.411 -0.938 -8.262 1.00 0.00 C ATOM 1658 CD GLU A 105 -7.812 -0.964 -9.655 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -7.616 -2.072 -10.195 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -7.538 0.124 -10.204 1.00 0.00 O ATOM 0 H GLU A 105 -9.816 -0.110 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.853 -2.731 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.195 -2.912 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.397 -1.642 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.810 0.056 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.625 -1.121 -7.529 1.00 0.00 H new ATOM 1667 N SER A 106 -9.255 -4.236 -5.467 1.00 0.00 N ATOM 1668 CA SER A 106 -8.345 -5.151 -4.788 1.00 0.00 C ATOM 1669 C SER A 106 -7.086 -5.380 -5.617 1.00 0.00 C ATOM 1670 O SER A 106 -7.154 -5.835 -6.759 1.00 0.00 O ATOM 1671 CB SER A 106 -9.040 -6.486 -4.515 1.00 0.00 C ATOM 1672 OG SER A 106 -9.224 -7.219 -5.714 1.00 0.00 O ATOM 0 H SER A 106 -10.213 -4.576 -5.546 1.00 0.00 H new ATOM 0 HA SER A 106 -8.056 -4.699 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.446 -7.072 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.006 -6.307 -4.042 1.00 0.00 H new ATOM 0 HG SER A 106 -8.652 -6.846 -6.417 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.935 -5.061 -5.034 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.658 -5.232 -5.717 1.00 0.00 C ATOM 1680 C LYS A 107 -3.949 -6.493 -5.236 1.00 0.00 C ATOM 1681 O LYS A 107 -3.867 -6.753 -4.035 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.764 -4.011 -5.484 1.00 0.00 C ATOM 1683 CG LYS A 107 -4.163 -2.799 -6.307 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.549 -2.842 -7.696 1.00 0.00 C ATOM 1685 CE LYS A 107 -4.343 -1.999 -8.683 1.00 0.00 C ATOM 1686 NZ LYS A 107 -4.134 -2.447 -10.088 1.00 0.00 N ATOM 0 H LYS A 107 -5.861 -4.683 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.856 -5.332 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.792 -3.747 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.733 -4.276 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.249 -2.755 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.845 -1.890 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.521 -2.481 -7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.510 -3.874 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.404 -2.055 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.049 -0.954 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.692 -1.848 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.126 -2.370 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.439 -3.437 -10.186 1.00 0.00 H new ATOM 1700 N THR A 108 -3.435 -7.275 -6.180 1.00 0.00 N ATOM 1701 CA THR A 108 -2.733 -8.509 -5.853 1.00 0.00 C ATOM 1702 C THR A 108 -1.222 -8.320 -5.932 1.00 0.00 C ATOM 1703 O THR A 108 -0.693 -7.884 -6.954 1.00 0.00 O ATOM 1704 CB THR A 108 -3.144 -9.657 -6.795 1.00 0.00 C ATOM 1705 OG1 THR A 108 -3.483 -9.135 -8.084 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.328 -10.425 -6.226 1.00 0.00 C ATOM 0 H THR A 108 -3.492 -7.075 -7.179 1.00 0.00 H new ATOM 0 HA THR A 108 -3.012 -8.769 -4.832 1.00 0.00 H new ATOM 0 HB THR A 108 -2.300 -10.340 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.741 -9.871 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.601 -11.231 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.057 -10.845 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.175 -9.750 -6.105 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.531 -8.651 -4.845 1.00 0.00 N ATOM 1715 CA VAL A 109 0.920 -8.518 -4.792 1.00 0.00 C ATOM 1716 C VAL A 109 1.594 -9.884 -4.719 1.00 0.00 C ATOM 1717 O VAL A 109 1.342 -10.664 -3.801 1.00 0.00 O ATOM 1718 CB VAL A 109 1.362 -7.675 -3.582 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.008 -8.379 -2.281 1.00 0.00 C ATOM 1720 CG2 VAL A 109 2.854 -7.385 -3.651 1.00 0.00 C ATOM 0 H VAL A 109 -0.953 -9.013 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 109 1.226 -8.013 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 109 0.828 -6.725 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.328 -7.767 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.070 -8.530 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.512 -9.345 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.149 -6.788 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.408 -8.324 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.076 -6.835 -4.565 1.00 0.00 H new ATOM 1730 N ARG A 110 2.452 -10.166 -5.694 1.00 0.00 N ATOM 1731 CA ARG A 110 3.163 -11.438 -5.741 1.00 0.00 C ATOM 1732 C ARG A 110 4.518 -11.331 -5.047 1.00 0.00 C ATOM 1733 O ARG A 110 5.450 -10.722 -5.573 1.00 0.00 O ATOM 1734 CB ARG A 110 3.355 -11.886 -7.191 1.00 0.00 C ATOM 1735 CG ARG A 110 3.481 -13.392 -7.352 1.00 0.00 C ATOM 1736 CD ARG A 110 3.709 -13.780 -8.805 1.00 0.00 C ATOM 1737 NE ARG A 110 4.989 -13.289 -9.308 1.00 0.00 N ATOM 1738 CZ ARG A 110 5.163 -12.070 -9.806 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.145 -11.223 -9.867 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.359 -11.696 -10.244 1.00 0.00 N ATOM 0 H ARG A 110 2.672 -9.531 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 110 2.563 -12.180 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.511 -11.535 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.249 -11.410 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.308 -13.756 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.577 -13.875 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.674 -14.865 -8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.901 -13.380 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 110 5.793 -13.916 -9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.225 -11.507 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.282 -10.288 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.145 -12.345 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.492 -10.760 -10.626 1.00 0.00 H new ATOM 1754 N THR A 111 4.619 -11.925 -3.862 1.00 0.00 N ATOM 1755 CA THR A 111 5.858 -11.895 -3.096 1.00 0.00 C ATOM 1756 C THR A 111 6.857 -12.919 -3.623 1.00 0.00 C ATOM 1757 O THR A 111 6.705 -14.121 -3.403 1.00 0.00 O ATOM 1758 CB THR A 111 5.601 -12.168 -1.602 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.940 -13.428 -1.441 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.755 -11.063 -0.987 1.00 0.00 C ATOM 0 H THR A 111 3.857 -12.433 -3.412 1.00 0.00 H new ATOM 0 HA THR A 111 6.275 -10.894 -3.209 1.00 0.00 H new ATOM 0 HB THR A 111 6.563 -12.195 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.988 -13.328 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.587 -11.278 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.275 -10.110 -1.085 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.797 -11.008 -1.503 1.00 0.00 H new ATOM 1768 N THR A 112 7.880 -12.435 -4.321 1.00 0.00 N ATOM 1769 CA THR A 112 8.903 -13.309 -4.881 1.00 0.00 C ATOM 1770 C THR A 112 9.388 -14.320 -3.849 1.00 0.00 C ATOM 1771 O THR A 112 9.026 -14.244 -2.675 1.00 0.00 O ATOM 1772 CB THR A 112 10.110 -12.502 -5.397 1.00 0.00 C ATOM 1773 OG1 THR A 112 10.958 -13.341 -6.189 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.905 -11.917 -4.240 1.00 0.00 C ATOM 0 H THR A 112 8.022 -11.443 -4.512 1.00 0.00 H new ATOM 0 HA THR A 112 8.444 -13.838 -5.716 1.00 0.00 H new ATOM 0 HB THR A 112 9.735 -11.683 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.722 -12.820 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.752 -11.352 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.265 -11.256 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.269 -12.724 -3.604 1.00 0.00 H new ATOM 1782 N GLU A 113 10.208 -15.267 -4.294 1.00 0.00 N ATOM 1783 CA GLU A 113 10.741 -16.294 -3.407 1.00 0.00 C ATOM 1784 C GLU A 113 12.263 -16.353 -3.495 1.00 0.00 C ATOM 1785 O GLU A 113 12.842 -16.127 -4.557 1.00 0.00 O ATOM 1786 CB GLU A 113 10.145 -17.660 -3.755 1.00 0.00 C ATOM 1787 CG GLU A 113 10.678 -18.243 -5.053 1.00 0.00 C ATOM 1788 CD GLU A 113 11.929 -19.076 -4.848 1.00 0.00 C ATOM 1789 OE1 GLU A 113 11.970 -19.852 -3.870 1.00 0.00 O ATOM 1790 OE2 GLU A 113 12.865 -18.953 -5.665 1.00 0.00 O ATOM 0 H GLU A 113 10.517 -15.344 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 113 10.464 -16.035 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.352 -18.356 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.061 -17.567 -3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.907 -18.860 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.896 -17.433 -5.749 1.00 0.00 H new