USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 62 GLN :FLIP amide:sc= 0.0481 F(o=-0.97,f=-0.4) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.445 X(o=-0.4,f=-0.61) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-10!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0139 USER MOD Set 3.1: A 24 THR OG1 : rot -18:sc= 0.73 USER MOD Set 3.2: A 27 SER OG : rot -170:sc= 0.73 USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.275 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.01 USER MOD Single : A 16 CYS SG : rot -97:sc= -3.01! USER MOD Single : A 22 THR OG1 : rot -7:sc= 1.01 USER MOD Single : A 37 SER OG : rot -6:sc= 0.0498 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 137:sc= 0.441 (180deg=-0.139) USER MOD Single : A 61 THR OG1 : rot 85:sc= 0.774 USER MOD Single : A 68 LYS NZ :NH3+ -117:sc= 1.08 (180deg=-0.291) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00538 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.35 F(o=-1.9,f=-0.35) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.55 K(o=-2.5,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.228 11.154 4.171 1.00 0.00 N ATOM 46 CA THR A 4 0.449 10.053 3.213 1.00 0.00 C ATOM 47 C THR A 4 -0.567 8.908 3.440 1.00 0.00 C ATOM 48 O THR A 4 -0.967 8.232 2.493 1.00 0.00 O ATOM 49 CB THR A 4 1.907 9.493 3.325 1.00 0.00 C ATOM 50 OG1 THR A 4 2.837 10.588 3.441 1.00 0.00 O ATOM 51 CG2 THR A 4 2.295 8.628 2.102 1.00 0.00 C ATOM 0 HA THR A 4 0.305 10.459 2.212 1.00 0.00 H new ATOM 0 HB THR A 4 1.947 8.860 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.391 11.353 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.314 8.262 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.612 7.782 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.232 9.230 1.196 1.00 0.00 H new ATOM 59 N PHE A 5 -1.017 8.753 4.705 1.00 0.00 N ATOM 60 CA PHE A 5 -2.013 7.734 5.081 1.00 0.00 C ATOM 61 C PHE A 5 -3.354 7.979 4.376 1.00 0.00 C ATOM 62 O PHE A 5 -3.879 7.079 3.734 1.00 0.00 O ATOM 63 CB PHE A 5 -2.211 7.664 6.621 1.00 0.00 C ATOM 64 CG PHE A 5 -3.363 6.737 7.044 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.284 5.360 6.843 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.544 7.250 7.590 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.341 4.538 7.171 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.595 6.418 7.923 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.495 5.063 7.709 1.00 0.00 C ATOM 0 H PHE A 5 -0.701 9.328 5.486 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.624 6.771 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.287 7.318 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.402 8.667 7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.385 4.932 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.636 8.314 7.754 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.263 3.474 7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.496 6.832 8.352 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.319 4.413 7.962 1.00 0.00 H new ATOM 79 N ASP A 6 -3.872 9.211 4.498 1.00 0.00 N ATOM 80 CA ASP A 6 -5.185 9.603 3.930 1.00 0.00 C ATOM 81 C ASP A 6 -5.174 9.465 2.395 1.00 0.00 C ATOM 82 O ASP A 6 -6.194 9.144 1.780 1.00 0.00 O ATOM 83 CB ASP A 6 -5.529 11.058 4.344 1.00 0.00 C ATOM 84 CG ASP A 6 -6.984 11.472 4.030 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.896 11.144 4.824 1.00 0.00 O ATOM 86 OD2 ASP A 6 -7.233 12.116 2.992 1.00 0.00 O ATOM 0 H ASP A 6 -3.398 9.968 4.991 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.951 8.936 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.352 11.172 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.849 11.741 3.834 1.00 0.00 H new ATOM 91 N ARG A 7 -3.989 9.704 1.802 1.00 0.00 N ATOM 92 CA ARG A 7 -3.748 9.544 0.362 1.00 0.00 C ATOM 93 C ARG A 7 -3.859 8.058 -0.069 1.00 0.00 C ATOM 94 O ARG A 7 -4.614 7.732 -0.986 1.00 0.00 O ATOM 95 CB ARG A 7 -2.361 10.134 -0.018 1.00 0.00 C ATOM 96 CG ARG A 7 -2.271 11.676 0.060 1.00 0.00 C ATOM 97 CD ARG A 7 -3.245 12.353 -0.913 1.00 0.00 C ATOM 98 NE ARG A 7 -3.148 13.827 -0.880 1.00 0.00 N ATOM 99 CZ ARG A 7 -4.180 14.676 -1.019 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.419 14.224 -1.113 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.966 15.983 -1.016 1.00 0.00 N ATOM 0 H ARG A 7 -3.166 10.017 2.317 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.519 10.095 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.606 9.706 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.113 9.820 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.488 12.002 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.253 11.993 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.044 12.002 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.264 12.054 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.223 14.233 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.600 13.221 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.194 14.879 -1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.018 16.344 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.749 16.628 -1.121 1.00 0.00 H new ATOM 115 N VAL A 8 -3.114 7.167 0.611 1.00 0.00 N ATOM 116 CA VAL A 8 -3.141 5.705 0.333 1.00 0.00 C ATOM 117 C VAL A 8 -4.544 5.122 0.607 1.00 0.00 C ATOM 118 O VAL A 8 -5.045 4.279 -0.139 1.00 0.00 O ATOM 119 CB VAL A 8 -2.075 4.935 1.205 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.102 3.407 0.935 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.659 5.511 0.978 1.00 0.00 C ATOM 0 H VAL A 8 -2.479 7.430 1.364 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.894 5.571 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.342 5.083 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.353 2.915 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.089 3.012 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.883 3.219 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.059 4.964 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.390 5.411 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.646 6.564 1.258 1.00 0.00 H new ATOM 131 N ALA A 9 -5.167 5.635 1.666 1.00 0.00 N ATOM 132 CA ALA A 9 -6.464 5.171 2.162 1.00 0.00 C ATOM 133 C ALA A 9 -7.595 5.506 1.169 1.00 0.00 C ATOM 134 O ALA A 9 -8.491 4.688 0.958 1.00 0.00 O ATOM 135 CB ALA A 9 -6.739 5.788 3.545 1.00 0.00 C ATOM 0 H ALA A 9 -4.777 6.401 2.216 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.433 4.086 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.705 5.441 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.956 5.485 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.751 6.875 3.463 1.00 0.00 H new ATOM 141 N THR A 10 -7.539 6.713 0.553 1.00 0.00 N ATOM 142 CA THR A 10 -8.544 7.136 -0.449 1.00 0.00 C ATOM 143 C THR A 10 -8.336 6.389 -1.787 1.00 0.00 C ATOM 144 O THR A 10 -9.295 6.199 -2.538 1.00 0.00 O ATOM 145 CB THR A 10 -8.563 8.694 -0.677 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.745 9.094 -1.404 1.00 0.00 O ATOM 147 CG2 THR A 10 -7.330 9.198 -1.440 1.00 0.00 C ATOM 0 H THR A 10 -6.812 7.406 0.732 1.00 0.00 H new ATOM 0 HA THR A 10 -9.519 6.867 -0.043 1.00 0.00 H new ATOM 0 HB THR A 10 -8.559 9.140 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.737 10.065 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.398 10.278 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.429 8.955 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.287 8.719 -2.418 1.00 0.00 H new ATOM 155 N ILE A 11 -7.075 5.973 -2.073 1.00 0.00 N ATOM 156 CA ILE A 11 -6.769 5.096 -3.227 1.00 0.00 C ATOM 157 C ILE A 11 -7.517 3.766 -3.061 1.00 0.00 C ATOM 158 O ILE A 11 -8.323 3.395 -3.909 1.00 0.00 O ATOM 159 CB ILE A 11 -5.212 4.827 -3.392 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.453 6.141 -3.763 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.911 3.691 -4.418 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.921 6.797 -5.049 1.00 0.00 C ATOM 0 H ILE A 11 -6.258 6.232 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.099 5.608 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.844 4.482 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.565 6.853 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.389 5.919 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.833 3.546 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.379 2.765 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.310 3.967 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.340 7.702 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.783 6.106 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.977 7.055 -4.963 1.00 0.00 H new ATOM 174 N ILE A 12 -7.292 3.111 -1.914 1.00 0.00 N ATOM 175 CA ILE A 12 -7.856 1.782 -1.607 1.00 0.00 C ATOM 176 C ILE A 12 -9.394 1.851 -1.466 1.00 0.00 C ATOM 177 O ILE A 12 -10.103 0.886 -1.788 1.00 0.00 O ATOM 178 CB ILE A 12 -7.178 1.203 -0.311 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.638 1.093 -0.545 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.781 -0.162 0.111 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.834 0.543 0.613 1.00 0.00 C ATOM 0 H ILE A 12 -6.710 3.488 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.643 1.106 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.374 1.888 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.466 0.460 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.255 2.084 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.279 -0.519 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.846 -0.043 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.643 -0.885 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.779 0.511 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.964 1.185 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.179 -0.464 0.850 1.00 0.00 H new ATOM 193 N ALA A 13 -9.889 3.023 -1.018 1.00 0.00 N ATOM 194 CA ALA A 13 -11.326 3.332 -0.936 1.00 0.00 C ATOM 195 C ALA A 13 -11.995 3.238 -2.315 1.00 0.00 C ATOM 196 O ALA A 13 -13.009 2.564 -2.472 1.00 0.00 O ATOM 197 CB ALA A 13 -11.551 4.733 -0.337 1.00 0.00 C ATOM 0 H ALA A 13 -9.293 3.788 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.784 2.591 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.620 4.940 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.126 4.773 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.067 5.480 -0.966 1.00 0.00 H new ATOM 203 N GLU A 14 -11.408 3.922 -3.312 1.00 0.00 N ATOM 204 CA GLU A 14 -11.966 3.975 -4.679 1.00 0.00 C ATOM 205 C GLU A 14 -11.647 2.692 -5.475 1.00 0.00 C ATOM 206 O GLU A 14 -12.403 2.320 -6.380 1.00 0.00 O ATOM 207 CB GLU A 14 -11.444 5.229 -5.431 1.00 0.00 C ATOM 208 CG GLU A 14 -11.640 6.571 -4.688 1.00 0.00 C ATOM 209 CD GLU A 14 -13.082 6.825 -4.206 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.927 7.254 -5.020 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.374 6.597 -3.010 1.00 0.00 O ATOM 0 H GLU A 14 -10.542 4.449 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.050 4.045 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.381 5.096 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.947 5.290 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.972 6.597 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.341 7.385 -5.348 1.00 0.00 H new ATOM 218 N THR A 15 -10.519 2.028 -5.143 1.00 0.00 N ATOM 219 CA THR A 15 -10.064 0.817 -5.852 1.00 0.00 C ATOM 220 C THR A 15 -10.908 -0.405 -5.446 1.00 0.00 C ATOM 221 O THR A 15 -11.596 -0.999 -6.281 1.00 0.00 O ATOM 222 CB THR A 15 -8.542 0.522 -5.583 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.745 1.635 -6.000 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.046 -0.732 -6.311 1.00 0.00 C ATOM 0 H THR A 15 -9.904 2.315 -4.382 1.00 0.00 H new ATOM 0 HA THR A 15 -10.193 1.004 -6.918 1.00 0.00 H new ATOM 0 HB THR A 15 -8.443 0.354 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.852 2.371 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.990 -0.887 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.618 -1.597 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.177 -0.604 -7.386 1.00 0.00 H new ATOM 232 N CYS A 16 -10.860 -0.749 -4.153 1.00 0.00 N ATOM 233 CA CYS A 16 -11.492 -1.967 -3.613 1.00 0.00 C ATOM 234 C CYS A 16 -12.892 -1.692 -3.036 1.00 0.00 C ATOM 235 O CYS A 16 -13.494 -2.594 -2.440 1.00 0.00 O ATOM 236 CB CYS A 16 -10.556 -2.559 -2.540 1.00 0.00 C ATOM 237 SG CYS A 16 -8.888 -2.863 -3.150 1.00 0.00 S ATOM 0 H CYS A 16 -10.381 -0.191 -3.447 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.637 -2.681 -4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.508 -1.877 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.979 -3.494 -2.173 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.771 -4.113 -3.489 1.00 0.00 H new ATOM 243 N ASP A 17 -13.396 -0.453 -3.240 1.00 0.00 N ATOM 244 CA ASP A 17 -14.708 0.007 -2.737 1.00 0.00 C ATOM 245 C ASP A 17 -14.834 -0.227 -1.219 1.00 0.00 C ATOM 246 O ASP A 17 -15.564 -1.111 -0.762 1.00 0.00 O ATOM 247 CB ASP A 17 -15.885 -0.629 -3.541 1.00 0.00 C ATOM 248 CG ASP A 17 -17.272 -0.073 -3.142 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.518 1.136 -3.360 1.00 0.00 O ATOM 250 OD2 ASP A 17 -18.125 -0.835 -2.621 1.00 0.00 O ATOM 0 H ASP A 17 -12.895 0.263 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.772 1.083 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.724 -0.455 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.877 -1.708 -3.390 1.00 0.00 H new ATOM 255 N ILE A 18 -14.035 0.522 -0.448 1.00 0.00 N ATOM 256 CA ILE A 18 -14.035 0.449 1.026 1.00 0.00 C ATOM 257 C ILE A 18 -14.359 1.853 1.581 1.00 0.00 C ATOM 258 O ILE A 18 -13.647 2.806 1.241 1.00 0.00 O ATOM 259 CB ILE A 18 -12.645 -0.055 1.613 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.150 -1.343 0.870 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.754 -0.311 3.147 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.823 -1.902 1.361 1.00 0.00 C ATOM 0 H ILE A 18 -13.369 1.197 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.787 -0.278 1.332 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.908 0.731 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.911 -2.116 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.061 -1.119 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.792 -0.655 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -13.034 0.614 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.512 -1.071 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.567 -2.791 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.043 -1.151 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.907 -2.164 2.416 1.00 0.00 H new ATOM 274 N PRO A 19 -15.448 2.015 2.406 1.00 0.00 N ATOM 275 CA PRO A 19 -15.778 3.317 3.050 1.00 0.00 C ATOM 276 C PRO A 19 -14.599 3.870 3.892 1.00 0.00 C ATOM 277 O PRO A 19 -13.914 3.106 4.581 1.00 0.00 O ATOM 278 CB PRO A 19 -17.010 2.978 3.937 1.00 0.00 C ATOM 279 CG PRO A 19 -17.614 1.770 3.287 1.00 0.00 C ATOM 280 CD PRO A 19 -16.448 0.968 2.757 1.00 0.00 C ATOM 0 HA PRO A 19 -15.981 4.103 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.714 2.770 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.717 3.807 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.196 1.189 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.292 2.055 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.061 0.276 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.730 0.373 1.888 1.00 0.00 H new ATOM 288 N ARG A 20 -14.378 5.197 3.818 1.00 0.00 N ATOM 289 CA ARG A 20 -13.283 5.891 4.535 1.00 0.00 C ATOM 290 C ARG A 20 -13.384 5.682 6.061 1.00 0.00 C ATOM 291 O ARG A 20 -12.364 5.546 6.742 1.00 0.00 O ATOM 292 CB ARG A 20 -13.300 7.407 4.188 1.00 0.00 C ATOM 293 CG ARG A 20 -12.961 7.736 2.709 1.00 0.00 C ATOM 294 CD ARG A 20 -11.505 7.373 2.336 1.00 0.00 C ATOM 295 NE ARG A 20 -10.513 8.133 3.134 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.749 7.633 4.114 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.841 6.360 4.463 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.891 8.409 4.739 1.00 0.00 N ATOM 0 H ARG A 20 -14.955 5.823 3.257 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.336 5.461 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.287 7.808 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.588 7.922 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.645 7.195 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.123 8.799 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.349 6.305 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.344 7.571 1.276 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.403 9.124 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.500 5.746 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.253 5.993 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.807 9.391 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.309 8.029 5.485 1.00 0.00 H new ATOM 312 N GLU A 21 -14.632 5.629 6.556 1.00 0.00 N ATOM 313 CA GLU A 21 -14.948 5.410 7.986 1.00 0.00 C ATOM 314 C GLU A 21 -14.447 4.033 8.483 1.00 0.00 C ATOM 315 O GLU A 21 -13.957 3.916 9.612 1.00 0.00 O ATOM 316 CB GLU A 21 -16.482 5.553 8.200 1.00 0.00 C ATOM 317 CG GLU A 21 -17.337 4.539 7.401 1.00 0.00 C ATOM 318 CD GLU A 21 -18.840 4.844 7.425 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.543 4.362 8.336 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.320 5.581 6.536 1.00 0.00 O ATOM 0 H GLU A 21 -15.461 5.738 5.972 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.427 6.165 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.701 5.437 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.783 6.563 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.995 4.525 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.172 3.540 7.805 1.00 0.00 H new ATOM 327 N THR A 22 -14.552 3.005 7.612 1.00 0.00 N ATOM 328 CA THR A 22 -14.171 1.616 7.949 1.00 0.00 C ATOM 329 C THR A 22 -12.660 1.381 7.745 1.00 0.00 C ATOM 330 O THR A 22 -12.112 0.365 8.197 1.00 0.00 O ATOM 331 CB THR A 22 -14.996 0.573 7.119 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.844 0.814 5.714 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.493 0.609 7.486 1.00 0.00 C ATOM 0 H THR A 22 -14.902 3.114 6.660 1.00 0.00 H new ATOM 0 HA THR A 22 -14.403 1.472 9.004 1.00 0.00 H new ATOM 0 HB THR A 22 -14.606 -0.415 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.347 1.647 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.032 -0.128 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.614 0.378 8.544 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.893 1.602 7.284 1.00 0.00 H new ATOM 341 N ILE A 23 -12.003 2.321 7.052 1.00 0.00 N ATOM 342 CA ILE A 23 -10.548 2.313 6.861 1.00 0.00 C ATOM 343 C ILE A 23 -9.867 2.901 8.112 1.00 0.00 C ATOM 344 O ILE A 23 -10.045 4.084 8.421 1.00 0.00 O ATOM 345 CB ILE A 23 -10.156 3.135 5.577 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.747 2.465 4.297 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.627 3.318 5.461 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.542 3.235 3.005 1.00 0.00 C ATOM 0 H ILE A 23 -12.469 3.111 6.607 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.209 1.287 6.718 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.589 4.131 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.301 1.477 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.817 2.317 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.396 3.890 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.257 3.852 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.147 2.341 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.989 2.684 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.014 4.214 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.475 3.361 2.822 1.00 0.00 H new ATOM 360 N THR A 24 -9.120 2.055 8.842 1.00 0.00 N ATOM 361 CA THR A 24 -8.307 2.475 10.000 1.00 0.00 C ATOM 362 C THR A 24 -6.814 2.192 9.712 1.00 0.00 C ATOM 363 O THR A 24 -6.510 1.362 8.842 1.00 0.00 O ATOM 364 CB THR A 24 -8.761 1.735 11.309 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.604 0.319 11.156 1.00 0.00 O ATOM 366 CG2 THR A 24 -10.223 2.066 11.667 1.00 0.00 C ATOM 0 H THR A 24 -9.062 1.056 8.646 1.00 0.00 H new ATOM 0 HA THR A 24 -8.450 3.544 10.157 1.00 0.00 H new ATOM 0 HB THR A 24 -8.127 2.083 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.522 0.100 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.503 1.537 12.578 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.325 3.140 11.825 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.876 1.756 10.852 1.00 0.00 H new ATOM 374 N PRO A 25 -5.855 2.887 10.416 1.00 0.00 N ATOM 375 CA PRO A 25 -4.400 2.633 10.262 1.00 0.00 C ATOM 376 C PRO A 25 -4.003 1.162 10.505 1.00 0.00 C ATOM 377 O PRO A 25 -3.104 0.637 9.843 1.00 0.00 O ATOM 378 CB PRO A 25 -3.755 3.578 11.310 1.00 0.00 C ATOM 379 CG PRO A 25 -4.756 4.677 11.477 1.00 0.00 C ATOM 380 CD PRO A 25 -6.103 4.002 11.377 1.00 0.00 C ATOM 0 HA PRO A 25 -4.066 2.822 9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.570 3.061 12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.796 3.962 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.636 5.177 12.438 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.638 5.438 10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.441 3.632 12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.870 4.685 11.012 1.00 0.00 H new ATOM 388 N GLU A 26 -4.727 0.502 11.421 1.00 0.00 N ATOM 389 CA GLU A 26 -4.421 -0.873 11.870 1.00 0.00 C ATOM 390 C GLU A 26 -5.057 -1.950 10.954 1.00 0.00 C ATOM 391 O GLU A 26 -4.892 -3.150 11.207 1.00 0.00 O ATOM 392 CB GLU A 26 -4.882 -1.065 13.338 1.00 0.00 C ATOM 393 CG GLU A 26 -6.376 -0.776 13.576 1.00 0.00 C ATOM 394 CD GLU A 26 -6.824 -1.071 15.015 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.639 -0.201 15.896 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.360 -2.174 15.271 1.00 0.00 O ATOM 0 H GLU A 26 -5.546 0.905 11.876 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.341 -1.005 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.669 -2.090 13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.291 -0.412 13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.579 0.270 13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.970 -1.375 12.886 1.00 0.00 H new ATOM 403 N SER A 27 -5.793 -1.529 9.908 1.00 0.00 N ATOM 404 CA SER A 27 -6.324 -2.461 8.891 1.00 0.00 C ATOM 405 C SER A 27 -5.176 -2.963 7.996 1.00 0.00 C ATOM 406 O SER A 27 -4.373 -2.173 7.520 1.00 0.00 O ATOM 407 CB SER A 27 -7.413 -1.764 8.043 1.00 0.00 C ATOM 408 OG SER A 27 -8.445 -1.241 8.866 1.00 0.00 O ATOM 0 H SER A 27 -6.034 -0.552 9.744 1.00 0.00 H new ATOM 0 HA SER A 27 -6.778 -3.317 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.965 -0.959 7.461 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.835 -2.475 7.332 1.00 0.00 H new ATOM 0 HG SER A 27 -9.193 -0.947 8.305 1.00 0.00 H new ATOM 414 N HIS A 28 -5.073 -4.283 7.826 1.00 0.00 N ATOM 415 CA HIS A 28 -4.091 -4.924 6.926 1.00 0.00 C ATOM 416 C HIS A 28 -4.788 -5.263 5.607 1.00 0.00 C ATOM 417 O HIS A 28 -5.880 -5.816 5.641 1.00 0.00 O ATOM 418 CB HIS A 28 -3.544 -6.204 7.595 1.00 0.00 C ATOM 419 CG HIS A 28 -2.435 -6.912 6.849 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.638 -7.491 5.625 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.167 -7.162 7.235 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.503 -8.074 5.308 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.581 -7.904 6.255 1.00 0.00 N ATOM 0 H HIS A 28 -5.672 -4.951 8.311 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.256 -4.251 6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.180 -5.945 8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.370 -6.903 7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.702 -6.834 8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.338 -8.623 4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.375 -8.260 6.247 1.00 0.00 H new ATOM 431 N ALA A 29 -4.162 -4.934 4.464 1.00 0.00 N ATOM 432 CA ALA A 29 -4.739 -5.184 3.128 1.00 0.00 C ATOM 433 C ALA A 29 -5.158 -6.660 2.946 1.00 0.00 C ATOM 434 O ALA A 29 -6.339 -6.946 2.788 1.00 0.00 O ATOM 435 CB ALA A 29 -3.757 -4.758 2.028 1.00 0.00 C ATOM 0 H ALA A 29 -3.245 -4.489 4.438 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.642 -4.579 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.200 -4.950 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.540 -3.694 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.832 -5.327 2.125 1.00 0.00 H new ATOM 441 N ILE A 30 -4.196 -7.587 3.060 1.00 0.00 N ATOM 442 CA ILE A 30 -4.432 -9.019 2.760 1.00 0.00 C ATOM 443 C ILE A 30 -5.240 -9.714 3.881 1.00 0.00 C ATOM 444 O ILE A 30 -6.169 -10.478 3.606 1.00 0.00 O ATOM 445 CB ILE A 30 -3.079 -9.790 2.520 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.200 -9.055 1.457 1.00 0.00 C ATOM 447 CG2 ILE A 30 -3.343 -11.261 2.101 1.00 0.00 C ATOM 448 CD1 ILE A 30 -0.865 -9.722 1.167 1.00 0.00 C ATOM 0 H ILE A 30 -3.243 -7.377 3.358 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.019 -9.052 1.842 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.529 -9.804 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.764 -8.982 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.015 -8.037 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.392 -11.770 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.899 -11.769 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.923 -11.278 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.324 -9.143 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.276 -9.771 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.036 -10.731 0.791 1.00 0.00 H new ATOM 460 N ASP A 31 -4.888 -9.415 5.137 1.00 0.00 N ATOM 461 CA ASP A 31 -5.426 -10.119 6.323 1.00 0.00 C ATOM 462 C ASP A 31 -6.830 -9.603 6.710 1.00 0.00 C ATOM 463 O ASP A 31 -7.792 -10.377 6.784 1.00 0.00 O ATOM 464 CB ASP A 31 -4.446 -9.962 7.512 1.00 0.00 C ATOM 465 CG ASP A 31 -4.946 -10.621 8.817 1.00 0.00 C ATOM 466 OD1 ASP A 31 -4.781 -11.850 8.979 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.496 -9.910 9.695 1.00 0.00 O ATOM 0 H ASP A 31 -4.222 -8.678 5.367 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.527 -11.175 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.485 -10.398 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.275 -8.901 7.693 1.00 0.00 H new ATOM 472 N ASP A 32 -6.927 -8.286 6.959 1.00 0.00 N ATOM 473 CA ASP A 32 -8.167 -7.641 7.458 1.00 0.00 C ATOM 474 C ASP A 32 -9.132 -7.348 6.295 1.00 0.00 C ATOM 475 O ASP A 32 -10.250 -7.872 6.245 1.00 0.00 O ATOM 476 CB ASP A 32 -7.800 -6.334 8.217 1.00 0.00 C ATOM 477 CG ASP A 32 -9.011 -5.550 8.763 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.430 -5.809 9.909 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.535 -4.659 8.056 1.00 0.00 O ATOM 0 H ASP A 32 -6.154 -7.635 6.822 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.673 -8.319 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.141 -6.584 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.236 -5.686 7.547 1.00 0.00 H new ATOM 484 N LEU A 33 -8.671 -6.509 5.359 1.00 0.00 N ATOM 485 CA LEU A 33 -9.455 -6.059 4.197 1.00 0.00 C ATOM 486 C LEU A 33 -9.679 -7.211 3.189 1.00 0.00 C ATOM 487 O LEU A 33 -10.572 -7.135 2.351 1.00 0.00 O ATOM 488 CB LEU A 33 -8.736 -4.857 3.522 1.00 0.00 C ATOM 489 CG LEU A 33 -8.463 -3.611 4.433 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.652 -2.527 3.682 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.778 -3.036 5.012 1.00 0.00 C ATOM 0 H LEU A 33 -7.730 -6.117 5.386 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.439 -5.738 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.783 -5.207 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.335 -4.534 2.671 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.856 -3.947 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.481 -1.677 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.694 -2.942 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.210 -2.198 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.553 -2.173 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.432 -2.730 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.276 -3.799 5.610 1.00 0.00 H new ATOM 503 N GLY A 34 -8.845 -8.271 3.277 1.00 0.00 N ATOM 504 CA GLY A 34 -9.005 -9.481 2.443 1.00 0.00 C ATOM 505 C GLY A 34 -8.443 -9.330 1.027 1.00 0.00 C ATOM 506 O GLY A 34 -8.583 -10.231 0.197 1.00 0.00 O ATOM 0 H GLY A 34 -8.053 -8.312 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.509 -10.318 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.064 -9.731 2.380 1.00 0.00 H new ATOM 510 N ILE A 35 -7.806 -8.183 0.770 1.00 0.00 N ATOM 511 CA ILE A 35 -7.201 -7.835 -0.523 1.00 0.00 C ATOM 512 C ILE A 35 -5.973 -8.729 -0.799 1.00 0.00 C ATOM 513 O ILE A 35 -4.891 -8.477 -0.282 1.00 0.00 O ATOM 514 CB ILE A 35 -6.790 -6.310 -0.503 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.043 -5.406 -0.254 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.042 -5.888 -1.785 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.738 -3.938 0.005 1.00 0.00 C ATOM 0 H ILE A 35 -7.693 -7.452 1.472 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.922 -8.003 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.094 -6.172 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.701 -5.477 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.594 -5.803 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.781 -4.832 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.133 -6.481 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.683 -6.053 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.670 -3.396 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.108 -3.848 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.217 -3.517 -0.855 1.00 0.00 H new ATOM 529 N ASP A 36 -6.177 -9.785 -1.603 1.00 0.00 N ATOM 530 CA ASP A 36 -5.116 -10.745 -2.002 1.00 0.00 C ATOM 531 C ASP A 36 -4.005 -10.052 -2.828 1.00 0.00 C ATOM 532 O ASP A 36 -4.195 -8.932 -3.310 1.00 0.00 O ATOM 533 CB ASP A 36 -5.773 -11.905 -2.818 1.00 0.00 C ATOM 534 CG ASP A 36 -4.787 -12.985 -3.295 1.00 0.00 C ATOM 535 OD1 ASP A 36 -4.295 -13.770 -2.458 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.447 -13.008 -4.494 1.00 0.00 O ATOM 0 H ASP A 36 -7.090 -10.005 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.641 -11.145 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.540 -12.376 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.277 -11.481 -3.687 1.00 0.00 H new ATOM 541 N SER A 37 -2.861 -10.743 -2.989 1.00 0.00 N ATOM 542 CA SER A 37 -1.724 -10.319 -3.840 1.00 0.00 C ATOM 543 C SER A 37 -2.147 -9.876 -5.264 1.00 0.00 C ATOM 544 O SER A 37 -1.490 -9.019 -5.874 1.00 0.00 O ATOM 545 CB SER A 37 -0.718 -11.491 -3.929 1.00 0.00 C ATOM 546 OG SER A 37 -1.342 -12.672 -4.418 1.00 0.00 O ATOM 0 H SER A 37 -2.694 -11.634 -2.521 1.00 0.00 H new ATOM 0 HA SER A 37 -1.273 -9.442 -3.375 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.108 -11.215 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.292 -11.683 -2.944 1.00 0.00 H new ATOM 0 HG SER A 37 -2.306 -12.520 -4.505 1.00 0.00 H new ATOM 552 N LEU A 38 -3.266 -10.432 -5.775 1.00 0.00 N ATOM 553 CA LEU A 38 -3.790 -10.119 -7.114 1.00 0.00 C ATOM 554 C LEU A 38 -4.673 -8.869 -7.064 1.00 0.00 C ATOM 555 O LEU A 38 -4.602 -8.016 -7.949 1.00 0.00 O ATOM 556 CB LEU A 38 -4.592 -11.316 -7.696 1.00 0.00 C ATOM 557 CG LEU A 38 -3.838 -12.679 -7.776 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.718 -13.768 -8.429 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.481 -12.526 -8.493 1.00 0.00 C ATOM 0 H LEU A 38 -3.830 -11.112 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.940 -9.927 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.487 -11.455 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.925 -11.050 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.627 -13.006 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.165 -14.706 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.624 -13.907 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.987 -13.461 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.980 -13.493 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.644 -12.160 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.859 -11.817 -7.947 1.00 0.00 H new ATOM 571 N ASP A 39 -5.496 -8.763 -6.008 1.00 0.00 N ATOM 572 CA ASP A 39 -6.417 -7.618 -5.820 1.00 0.00 C ATOM 573 C ASP A 39 -5.604 -6.337 -5.530 1.00 0.00 C ATOM 574 O ASP A 39 -5.985 -5.232 -5.927 1.00 0.00 O ATOM 575 CB ASP A 39 -7.413 -7.932 -4.670 1.00 0.00 C ATOM 576 CG ASP A 39 -8.634 -6.983 -4.630 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.646 -7.276 -5.302 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.594 -5.945 -3.936 1.00 0.00 O ATOM 0 H ASP A 39 -5.546 -9.459 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.993 -7.452 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.765 -8.958 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.886 -7.872 -3.718 1.00 0.00 H new ATOM 583 N PHE A 40 -4.440 -6.529 -4.883 1.00 0.00 N ATOM 584 CA PHE A 40 -3.521 -5.444 -4.526 1.00 0.00 C ATOM 585 C PHE A 40 -2.764 -4.928 -5.769 1.00 0.00 C ATOM 586 O PHE A 40 -2.232 -3.830 -5.730 1.00 0.00 O ATOM 587 CB PHE A 40 -2.531 -5.882 -3.408 1.00 0.00 C ATOM 588 CG PHE A 40 -1.923 -4.698 -2.633 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.572 -4.171 -1.518 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.727 -4.099 -3.032 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.048 -3.090 -0.840 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.207 -3.014 -2.357 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.866 -2.514 -1.259 1.00 0.00 C ATOM 0 H PHE A 40 -4.112 -7.450 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.118 -4.622 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.051 -6.536 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.726 -6.467 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.497 -4.615 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.198 -4.493 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.564 -2.693 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.714 -2.559 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.458 -1.669 -0.724 1.00 0.00 H new ATOM 603 N LEU A 41 -2.693 -5.735 -6.855 1.00 0.00 N ATOM 604 CA LEU A 41 -2.019 -5.324 -8.120 1.00 0.00 C ATOM 605 C LEU A 41 -2.628 -4.019 -8.676 1.00 0.00 C ATOM 606 O LEU A 41 -1.903 -3.130 -9.134 1.00 0.00 O ATOM 607 CB LEU A 41 -2.115 -6.448 -9.197 1.00 0.00 C ATOM 608 CG LEU A 41 -1.218 -7.710 -8.976 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.581 -8.845 -9.962 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.276 -7.343 -9.091 1.00 0.00 C ATOM 0 H LEU A 41 -3.092 -6.673 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.969 -5.149 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.153 -6.775 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.861 -6.015 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.407 -8.078 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.937 -9.706 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.622 -9.133 -9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.439 -8.497 -10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.883 -8.235 -8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.476 -6.938 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.526 -6.596 -8.337 1.00 0.00 H new ATOM 622 N ASP A 42 -3.968 -3.916 -8.605 1.00 0.00 N ATOM 623 CA ASP A 42 -4.731 -2.752 -9.103 1.00 0.00 C ATOM 624 C ASP A 42 -4.521 -1.528 -8.177 1.00 0.00 C ATOM 625 O ASP A 42 -4.449 -0.386 -8.648 1.00 0.00 O ATOM 626 CB ASP A 42 -6.237 -3.115 -9.218 1.00 0.00 C ATOM 627 CG ASP A 42 -7.039 -2.108 -10.072 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.503 -1.084 -9.535 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.200 -2.331 -11.298 1.00 0.00 O ATOM 0 H ASP A 42 -4.558 -4.642 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.365 -2.486 -10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.333 -4.109 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.671 -3.162 -8.219 1.00 0.00 H new ATOM 634 N ILE A 43 -4.409 -1.792 -6.853 1.00 0.00 N ATOM 635 CA ILE A 43 -4.105 -0.752 -5.843 1.00 0.00 C ATOM 636 C ILE A 43 -2.701 -0.167 -6.091 1.00 0.00 C ATOM 637 O ILE A 43 -2.529 1.044 -6.168 1.00 0.00 O ATOM 638 CB ILE A 43 -4.145 -1.313 -4.370 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.538 -1.925 -4.039 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.751 -0.226 -3.335 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.695 -2.378 -2.604 1.00 0.00 C ATOM 0 H ILE A 43 -4.526 -2.725 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.873 0.014 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.405 -2.111 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.308 -1.186 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.714 -2.776 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.790 -0.649 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.740 0.124 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.446 0.611 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.693 -2.791 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.951 -3.142 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.554 -1.528 -1.937 1.00 0.00 H new ATOM 653 N ALA A 44 -1.735 -1.078 -6.259 1.00 0.00 N ATOM 654 CA ALA A 44 -0.305 -0.748 -6.400 1.00 0.00 C ATOM 655 C ALA A 44 -0.062 0.022 -7.707 1.00 0.00 C ATOM 656 O ALA A 44 0.773 0.927 -7.755 1.00 0.00 O ATOM 657 CB ALA A 44 0.545 -2.030 -6.336 1.00 0.00 C ATOM 0 H ALA A 44 -1.923 -2.080 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.004 -0.105 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.599 -1.773 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.386 -2.525 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.253 -2.701 -7.144 1.00 0.00 H new ATOM 663 N PHE A 45 -0.863 -0.323 -8.734 1.00 0.00 N ATOM 664 CA PHE A 45 -0.852 0.349 -10.049 1.00 0.00 C ATOM 665 C PHE A 45 -1.371 1.796 -9.912 1.00 0.00 C ATOM 666 O PHE A 45 -0.808 2.734 -10.491 1.00 0.00 O ATOM 667 CB PHE A 45 -1.709 -0.461 -11.065 1.00 0.00 C ATOM 668 CG PHE A 45 -1.454 -0.115 -12.537 1.00 0.00 C ATOM 669 CD1 PHE A 45 -2.123 0.938 -13.164 1.00 0.00 C ATOM 670 CD2 PHE A 45 -0.540 -0.851 -13.293 1.00 0.00 C ATOM 671 CE1 PHE A 45 -1.879 1.246 -14.491 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.300 -0.542 -14.617 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.970 0.503 -15.218 1.00 0.00 C ATOM 0 H PHE A 45 -1.542 -1.082 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 45 0.171 0.392 -10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.516 -1.523 -10.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.763 -0.295 -10.844 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.841 1.520 -12.606 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.013 -1.675 -12.835 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.400 2.068 -14.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.415 -1.120 -15.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.784 0.740 -16.255 1.00 0.00 H new ATOM 683 N ALA A 46 -2.459 1.950 -9.137 1.00 0.00 N ATOM 684 CA ALA A 46 -3.069 3.260 -8.829 1.00 0.00 C ATOM 685 C ALA A 46 -2.123 4.143 -7.991 1.00 0.00 C ATOM 686 O ALA A 46 -2.120 5.363 -8.132 1.00 0.00 O ATOM 687 CB ALA A 46 -4.400 3.054 -8.088 1.00 0.00 C ATOM 0 H ALA A 46 -2.945 1.165 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.254 3.776 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.845 4.023 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.081 2.479 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.219 2.514 -7.159 1.00 0.00 H new ATOM 693 N ILE A 47 -1.332 3.496 -7.123 1.00 0.00 N ATOM 694 CA ILE A 47 -0.344 4.165 -6.255 1.00 0.00 C ATOM 695 C ILE A 47 0.831 4.718 -7.091 1.00 0.00 C ATOM 696 O ILE A 47 1.338 5.813 -6.805 1.00 0.00 O ATOM 697 CB ILE A 47 0.159 3.179 -5.125 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.003 2.880 -4.117 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.412 3.712 -4.382 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.723 1.767 -3.119 1.00 0.00 C ATOM 0 H ILE A 47 -1.358 2.484 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.826 5.012 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 47 0.460 2.252 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.228 3.793 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.897 2.621 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.714 2.996 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.226 3.848 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.177 4.667 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.587 1.637 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.530 0.838 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.149 2.027 -2.519 1.00 0.00 H new ATOM 712 N ASP A 48 1.238 3.961 -8.129 1.00 0.00 N ATOM 713 CA ASP A 48 2.276 4.400 -9.089 1.00 0.00 C ATOM 714 C ASP A 48 1.890 5.734 -9.748 1.00 0.00 C ATOM 715 O ASP A 48 2.695 6.666 -9.819 1.00 0.00 O ATOM 716 CB ASP A 48 2.492 3.348 -10.210 1.00 0.00 C ATOM 717 CG ASP A 48 2.948 1.976 -9.710 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.852 1.909 -8.869 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.440 0.950 -10.213 1.00 0.00 O ATOM 0 H ASP A 48 0.861 3.034 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 48 3.198 4.521 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.561 3.228 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.233 3.730 -10.912 1.00 0.00 H new ATOM 724 N LYS A 49 0.639 5.792 -10.209 1.00 0.00 N ATOM 725 CA LYS A 49 0.078 6.938 -10.940 1.00 0.00 C ATOM 726 C LYS A 49 -0.141 8.149 -10.013 1.00 0.00 C ATOM 727 O LYS A 49 0.260 9.277 -10.334 1.00 0.00 O ATOM 728 CB LYS A 49 -1.265 6.505 -11.593 1.00 0.00 C ATOM 729 CG LYS A 49 -1.137 5.352 -12.623 1.00 0.00 C ATOM 730 CD LYS A 49 -2.497 4.730 -13.017 1.00 0.00 C ATOM 731 CE LYS A 49 -3.471 5.745 -13.649 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.779 5.129 -13.995 1.00 0.00 N ATOM 0 H LYS A 49 -0.028 5.031 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 49 0.786 7.246 -11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.954 6.198 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.709 7.369 -12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.644 5.728 -13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.496 4.574 -12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.326 3.915 -13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.960 4.295 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.632 6.571 -12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.021 6.166 -14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.401 5.848 -14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.630 4.358 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.223 4.750 -13.134 1.00 0.00 H new ATOM 746 N ALA A 50 -0.773 7.884 -8.856 1.00 0.00 N ATOM 747 CA ALA A 50 -1.193 8.917 -7.893 1.00 0.00 C ATOM 748 C ALA A 50 0.014 9.599 -7.237 1.00 0.00 C ATOM 749 O ALA A 50 0.138 10.826 -7.262 1.00 0.00 O ATOM 750 CB ALA A 50 -2.113 8.302 -6.824 1.00 0.00 C ATOM 0 H ALA A 50 -1.009 6.937 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.745 9.682 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.417 9.074 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.996 7.880 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.578 7.515 -6.293 1.00 0.00 H new ATOM 756 N PHE A 51 0.915 8.779 -6.679 1.00 0.00 N ATOM 757 CA PHE A 51 2.088 9.249 -5.913 1.00 0.00 C ATOM 758 C PHE A 51 3.292 9.542 -6.827 1.00 0.00 C ATOM 759 O PHE A 51 4.275 10.150 -6.375 1.00 0.00 O ATOM 760 CB PHE A 51 2.462 8.206 -4.829 1.00 0.00 C ATOM 761 CG PHE A 51 1.377 8.000 -3.769 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.284 7.168 -4.009 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.450 8.645 -2.536 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.692 6.983 -3.054 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.471 8.459 -1.580 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.598 7.629 -1.843 1.00 0.00 C ATOM 0 H PHE A 51 0.854 7.763 -6.744 1.00 0.00 H new ATOM 0 HA PHE A 51 1.819 10.188 -5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.670 7.252 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.382 8.521 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.201 6.660 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.283 9.299 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.530 6.332 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.543 8.963 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.364 7.485 -1.096 1.00 0.00 H new ATOM 776 N GLY A 52 3.211 9.110 -8.102 1.00 0.00 N ATOM 777 CA GLY A 52 4.275 9.349 -9.084 1.00 0.00 C ATOM 778 C GLY A 52 5.543 8.558 -8.777 1.00 0.00 C ATOM 779 O GLY A 52 6.666 9.058 -8.943 1.00 0.00 O ATOM 0 H GLY A 52 2.414 8.592 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.915 9.081 -10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.511 10.413 -9.107 1.00 0.00 H new ATOM 783 N ILE A 53 5.346 7.312 -8.313 1.00 0.00 N ATOM 784 CA ILE A 53 6.430 6.414 -7.864 1.00 0.00 C ATOM 785 C ILE A 53 6.350 5.064 -8.586 1.00 0.00 C ATOM 786 O ILE A 53 5.568 4.887 -9.523 1.00 0.00 O ATOM 787 CB ILE A 53 6.370 6.169 -6.303 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.998 5.543 -5.881 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.666 7.463 -5.523 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.886 5.202 -4.406 1.00 0.00 C ATOM 0 H ILE A 53 4.419 6.893 -8.237 1.00 0.00 H new ATOM 0 HA ILE A 53 7.373 6.904 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 53 7.149 5.451 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.201 6.239 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.833 4.637 -6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.617 7.262 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.662 7.823 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.928 8.222 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.904 4.774 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.658 4.480 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.016 6.107 -3.812 1.00 0.00 H new ATOM 802 N LYS A 54 7.200 4.128 -8.148 1.00 0.00 N ATOM 803 CA LYS A 54 7.136 2.726 -8.534 1.00 0.00 C ATOM 804 C LYS A 54 7.109 1.889 -7.247 1.00 0.00 C ATOM 805 O LYS A 54 8.154 1.684 -6.617 1.00 0.00 O ATOM 806 CB LYS A 54 8.346 2.349 -9.430 1.00 0.00 C ATOM 807 CG LYS A 54 8.271 0.923 -10.012 1.00 0.00 C ATOM 808 CD LYS A 54 9.563 0.492 -10.737 1.00 0.00 C ATOM 809 CE LYS A 54 10.763 0.352 -9.780 1.00 0.00 C ATOM 810 NZ LYS A 54 11.933 -0.255 -10.459 1.00 0.00 N ATOM 0 H LYS A 54 7.963 4.334 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 54 6.238 2.531 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.414 3.063 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.262 2.445 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.063 0.219 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.435 0.866 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.392 -0.459 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.803 1.223 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.036 1.333 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.478 -0.262 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.722 -0.334 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.679 -1.201 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.219 0.344 -11.259 1.00 0.00 H new ATOM 824 N LEU A 55 5.900 1.503 -6.810 1.00 0.00 N ATOM 825 CA LEU A 55 5.704 0.563 -5.703 1.00 0.00 C ATOM 826 C LEU A 55 6.005 -0.850 -6.229 1.00 0.00 C ATOM 827 O LEU A 55 5.204 -1.385 -7.004 1.00 0.00 O ATOM 828 CB LEU A 55 4.244 0.678 -5.139 1.00 0.00 C ATOM 829 CG LEU A 55 3.913 -0.115 -3.808 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.688 0.481 -3.090 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.685 -1.635 -4.027 1.00 0.00 C ATOM 0 H LEU A 55 5.028 1.838 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 55 6.377 0.792 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.032 1.733 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.556 0.339 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 55 4.800 -0.004 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.488 -0.086 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.888 1.521 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.820 0.430 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.463 -2.111 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.848 -1.783 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.584 -2.080 -4.454 1.00 0.00 H new ATOM 843 N PRO A 56 7.146 -1.494 -5.827 1.00 0.00 N ATOM 844 CA PRO A 56 7.484 -2.835 -6.306 1.00 0.00 C ATOM 845 C PRO A 56 6.772 -3.909 -5.460 1.00 0.00 C ATOM 846 O PRO A 56 7.324 -4.432 -4.491 1.00 0.00 O ATOM 847 CB PRO A 56 9.023 -2.855 -6.168 1.00 0.00 C ATOM 848 CG PRO A 56 9.306 -1.998 -4.960 1.00 0.00 C ATOM 849 CD PRO A 56 8.165 -0.992 -4.859 1.00 0.00 C ATOM 0 HA PRO A 56 7.164 -3.053 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.396 -3.870 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.507 -2.456 -7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.365 -2.608 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.264 -1.488 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.764 -0.946 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.497 0.014 -5.116 1.00 0.00 H new ATOM 857 N LEU A 57 5.512 -4.199 -5.832 1.00 0.00 N ATOM 858 CA LEU A 57 4.701 -5.230 -5.168 1.00 0.00 C ATOM 859 C LEU A 57 5.312 -6.617 -5.424 1.00 0.00 C ATOM 860 O LEU A 57 5.263 -7.493 -4.568 1.00 0.00 O ATOM 861 CB LEU A 57 3.222 -5.186 -5.644 1.00 0.00 C ATOM 862 CG LEU A 57 2.270 -6.214 -4.953 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.228 -5.994 -3.426 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.863 -6.180 -5.577 1.00 0.00 C ATOM 0 H LEU A 57 5.031 -3.727 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 57 4.704 -5.030 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.832 -4.182 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.198 -5.359 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 57 2.673 -7.212 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.558 -6.724 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.230 -6.115 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.867 -4.988 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.224 -6.906 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.438 -5.183 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.929 -6.427 -6.637 1.00 0.00 H new ATOM 876 N GLU A 58 5.929 -6.767 -6.606 1.00 0.00 N ATOM 877 CA GLU A 58 6.628 -7.993 -7.025 1.00 0.00 C ATOM 878 C GLU A 58 7.809 -8.305 -6.089 1.00 0.00 C ATOM 879 O GLU A 58 8.107 -9.474 -5.831 1.00 0.00 O ATOM 880 CB GLU A 58 7.097 -7.837 -8.492 1.00 0.00 C ATOM 881 CG GLU A 58 8.079 -6.663 -8.730 1.00 0.00 C ATOM 882 CD GLU A 58 8.243 -6.297 -10.210 1.00 0.00 C ATOM 883 OE1 GLU A 58 7.446 -5.475 -10.707 1.00 0.00 O ATOM 884 OE2 GLU A 58 9.156 -6.825 -10.885 1.00 0.00 O ATOM 0 H GLU A 58 5.957 -6.029 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 58 5.941 -8.837 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.575 -8.764 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.222 -7.697 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.727 -5.788 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.054 -6.925 -8.318 1.00 0.00 H new ATOM 891 N LYS A 59 8.461 -7.241 -5.577 1.00 0.00 N ATOM 892 CA LYS A 59 9.502 -7.337 -4.550 1.00 0.00 C ATOM 893 C LYS A 59 8.865 -7.678 -3.195 1.00 0.00 C ATOM 894 O LYS A 59 9.172 -8.707 -2.629 1.00 0.00 O ATOM 895 CB LYS A 59 10.300 -6.001 -4.439 1.00 0.00 C ATOM 896 CG LYS A 59 11.254 -5.924 -3.224 1.00 0.00 C ATOM 897 CD LYS A 59 11.938 -4.548 -3.075 1.00 0.00 C ATOM 898 CE LYS A 59 12.731 -4.435 -1.761 1.00 0.00 C ATOM 899 NZ LYS A 59 13.736 -5.524 -1.601 1.00 0.00 N ATOM 0 H LYS A 59 8.273 -6.283 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 59 10.196 -8.128 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.881 -5.863 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.593 -5.173 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.694 -6.144 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.019 -6.694 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.609 -4.384 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.183 -3.763 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.238 -3.471 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.038 -4.459 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.626 -5.125 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.377 -6.232 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.907 -5.977 -2.522 1.00 0.00 H new ATOM 913 N TRP A 60 7.940 -6.806 -2.730 1.00 0.00 N ATOM 914 CA TRP A 60 7.378 -6.836 -1.351 1.00 0.00 C ATOM 915 C TRP A 60 6.727 -8.189 -1.025 1.00 0.00 C ATOM 916 O TRP A 60 6.940 -8.750 0.056 1.00 0.00 O ATOM 917 CB TRP A 60 6.359 -5.679 -1.151 1.00 0.00 C ATOM 918 CG TRP A 60 6.960 -4.284 -1.189 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.256 -3.926 -1.470 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.273 -3.059 -0.915 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.395 -2.569 -1.402 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.202 -2.016 -1.053 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.960 -2.749 -0.560 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.864 -0.687 -0.859 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.626 -1.425 -0.361 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.573 -0.409 -0.511 1.00 0.00 C ATOM 0 H TRP A 60 7.557 -6.054 -3.303 1.00 0.00 H new ATOM 0 HA TRP A 60 8.209 -6.698 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.594 -5.750 -1.924 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.858 -5.817 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.050 -4.617 -1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.256 -2.053 -1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.221 -3.528 -0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.594 0.100 -0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.614 -1.170 -0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.278 0.617 -0.348 1.00 0.00 H new ATOM 937 N THR A 61 5.951 -8.697 -1.987 1.00 0.00 N ATOM 938 CA THR A 61 5.318 -10.016 -1.916 1.00 0.00 C ATOM 939 C THR A 61 6.371 -11.151 -1.873 1.00 0.00 C ATOM 940 O THR A 61 6.190 -12.143 -1.162 1.00 0.00 O ATOM 941 CB THR A 61 4.353 -10.212 -3.133 1.00 0.00 C ATOM 942 OG1 THR A 61 3.417 -9.118 -3.184 1.00 0.00 O ATOM 943 CG2 THR A 61 3.569 -11.531 -3.059 1.00 0.00 C ATOM 0 H THR A 61 5.742 -8.195 -2.850 1.00 0.00 H new ATOM 0 HA THR A 61 4.744 -10.065 -0.991 1.00 0.00 H new ATOM 0 HB THR A 61 4.971 -10.241 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.822 -8.363 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.916 -11.615 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.266 -12.369 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.968 -11.546 -2.150 1.00 0.00 H new ATOM 951 N GLN A 62 7.486 -10.977 -2.610 1.00 0.00 N ATOM 952 CA GLN A 62 8.576 -11.973 -2.701 1.00 0.00 C ATOM 953 C GLN A 62 9.423 -11.992 -1.411 1.00 0.00 C ATOM 954 O GLN A 62 9.967 -13.037 -1.039 1.00 0.00 O ATOM 955 CB GLN A 62 9.476 -11.706 -3.948 1.00 0.00 C ATOM 956 CG GLN A 62 10.478 -12.839 -4.266 1.00 0.00 C ATOM 957 CD GLN A 62 9.819 -14.195 -4.577 1.00 0.00 C ATOM 958 OE1 GLN A 62 8.674 -14.185 -5.255 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 10.361 -15.252 -4.247 1.00 0.00 N flip ATOM 0 H GLN A 62 7.658 -10.137 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 62 8.117 -12.955 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.836 -11.549 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.030 -10.781 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.088 -12.540 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.152 -12.961 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.239 -15.235 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.932 -16.144 -4.493 1.00 0.00 H new ATOM 968 N GLU A 63 9.528 -10.823 -0.740 1.00 0.00 N ATOM 969 CA GLU A 63 10.166 -10.704 0.589 1.00 0.00 C ATOM 970 C GLU A 63 9.412 -11.585 1.595 1.00 0.00 C ATOM 971 O GLU A 63 10.015 -12.238 2.435 1.00 0.00 O ATOM 972 CB GLU A 63 10.172 -9.228 1.092 1.00 0.00 C ATOM 973 CG GLU A 63 10.682 -8.169 0.093 1.00 0.00 C ATOM 974 CD GLU A 63 12.078 -8.454 -0.490 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.184 -9.142 -1.531 1.00 0.00 O ATOM 976 OE2 GLU A 63 13.079 -7.970 0.077 1.00 0.00 O ATOM 0 H GLU A 63 9.174 -9.938 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 63 11.201 -11.033 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.156 -8.962 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.787 -9.175 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.969 -8.091 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.702 -7.200 0.591 1.00 0.00 H new ATOM 983 N VAL A 64 8.078 -11.594 1.466 1.00 0.00 N ATOM 984 CA VAL A 64 7.194 -12.445 2.273 1.00 0.00 C ATOM 985 C VAL A 64 7.388 -13.935 1.912 1.00 0.00 C ATOM 986 O VAL A 64 7.492 -14.791 2.799 1.00 0.00 O ATOM 987 CB VAL A 64 5.689 -12.029 2.094 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.736 -12.935 2.921 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.508 -10.528 2.437 1.00 0.00 C ATOM 0 H VAL A 64 7.580 -11.008 0.796 1.00 0.00 H new ATOM 0 HA VAL A 64 7.463 -12.305 3.320 1.00 0.00 H new ATOM 0 HB VAL A 64 5.415 -12.174 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.706 -12.614 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.845 -13.970 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.988 -12.858 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.462 -10.249 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.807 -10.352 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.127 -9.926 1.772 1.00 0.00 H new ATOM 999 N ASN A 65 7.456 -14.214 0.594 1.00 0.00 N ATOM 1000 CA ASN A 65 7.626 -15.587 0.052 1.00 0.00 C ATOM 1001 C ASN A 65 8.936 -16.242 0.519 1.00 0.00 C ATOM 1002 O ASN A 65 8.971 -17.454 0.764 1.00 0.00 O ATOM 1003 CB ASN A 65 7.557 -15.585 -1.507 1.00 0.00 C ATOM 1004 CG ASN A 65 6.208 -15.114 -2.064 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.164 -15.281 -1.430 1.00 0.00 O ATOM 1006 ND2 ASN A 65 6.219 -14.521 -3.251 1.00 0.00 N ATOM 0 H ASN A 65 7.395 -13.497 -0.129 1.00 0.00 H new ATOM 0 HA ASN A 65 6.801 -16.181 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.345 -14.941 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.759 -16.592 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.347 -14.189 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.099 -14.397 -3.751 1.00 0.00 H new ATOM 1013 N ASP A 66 10.011 -15.452 0.651 1.00 0.00 N ATOM 1014 CA ASP A 66 11.347 -15.932 1.067 1.00 0.00 C ATOM 1015 C ASP A 66 11.540 -15.794 2.599 1.00 0.00 C ATOM 1016 O ASP A 66 12.403 -16.455 3.182 1.00 0.00 O ATOM 1017 CB ASP A 66 12.432 -15.120 0.306 1.00 0.00 C ATOM 1018 CG ASP A 66 13.874 -15.621 0.538 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.518 -15.195 1.522 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.371 -16.445 -0.254 1.00 0.00 O ATOM 0 H ASP A 66 9.982 -14.448 0.471 1.00 0.00 H new ATOM 0 HA ASP A 66 11.438 -16.990 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.214 -15.155 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.369 -14.075 0.610 1.00 0.00 H new ATOM 1025 N GLY A 67 10.711 -14.946 3.240 1.00 0.00 N ATOM 1026 CA GLY A 67 10.868 -14.629 4.668 1.00 0.00 C ATOM 1027 C GLY A 67 11.933 -13.565 4.940 1.00 0.00 C ATOM 1028 O GLY A 67 12.499 -13.511 6.035 1.00 0.00 O ATOM 0 H GLY A 67 9.929 -14.471 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.912 -14.285 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.128 -15.539 5.208 1.00 0.00 H new ATOM 1032 N LYS A 68 12.226 -12.738 3.924 1.00 0.00 N ATOM 1033 CA LYS A 68 13.066 -11.528 4.077 1.00 0.00 C ATOM 1034 C LYS A 68 12.306 -10.422 4.835 1.00 0.00 C ATOM 1035 O LYS A 68 12.925 -9.539 5.442 1.00 0.00 O ATOM 1036 CB LYS A 68 13.525 -11.004 2.686 1.00 0.00 C ATOM 1037 CG LYS A 68 14.433 -11.958 1.863 1.00 0.00 C ATOM 1038 CD LYS A 68 15.947 -11.923 2.240 1.00 0.00 C ATOM 1039 CE LYS A 68 16.296 -12.572 3.595 1.00 0.00 C ATOM 1040 NZ LYS A 68 15.903 -14.005 3.656 1.00 0.00 N ATOM 0 H LYS A 68 11.890 -12.885 2.972 1.00 0.00 H new ATOM 0 HA LYS A 68 13.946 -11.801 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.638 -10.779 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.058 -10.064 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.068 -12.978 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.332 -11.709 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.513 -12.427 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.278 -10.885 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.368 -12.484 3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.796 -12.027 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.185 -14.137 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.511 -14.297 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.738 -14.585 3.876 1.00 0.00 H new ATOM 1054 N ALA A 69 10.962 -10.490 4.789 1.00 0.00 N ATOM 1055 CA ALA A 69 10.074 -9.516 5.438 1.00 0.00 C ATOM 1056 C ALA A 69 8.677 -10.122 5.640 1.00 0.00 C ATOM 1057 O ALA A 69 8.366 -11.188 5.094 1.00 0.00 O ATOM 1058 CB ALA A 69 9.992 -8.224 4.603 1.00 0.00 C ATOM 0 H ALA A 69 10.461 -11.229 4.296 1.00 0.00 H new ATOM 0 HA ALA A 69 10.485 -9.265 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.330 -7.513 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.987 -7.789 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.601 -8.455 3.612 1.00 0.00 H new ATOM 1064 N THR A 70 7.851 -9.428 6.434 1.00 0.00 N ATOM 1065 CA THR A 70 6.459 -9.831 6.712 1.00 0.00 C ATOM 1066 C THR A 70 5.473 -8.900 5.973 1.00 0.00 C ATOM 1067 O THR A 70 5.812 -7.752 5.633 1.00 0.00 O ATOM 1068 CB THR A 70 6.154 -9.833 8.255 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.786 -10.214 8.502 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.421 -8.471 8.919 1.00 0.00 C ATOM 0 H THR A 70 8.127 -8.567 6.905 1.00 0.00 H new ATOM 0 HA THR A 70 6.330 -10.850 6.346 1.00 0.00 H new ATOM 0 HB THR A 70 6.834 -10.561 8.697 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.615 -10.211 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.193 -8.534 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.469 -8.202 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.791 -7.711 8.457 1.00 0.00 H new ATOM 1078 N THR A 71 4.253 -9.424 5.734 1.00 0.00 N ATOM 1079 CA THR A 71 3.141 -8.663 5.130 1.00 0.00 C ATOM 1080 C THR A 71 2.719 -7.489 6.032 1.00 0.00 C ATOM 1081 O THR A 71 2.310 -6.441 5.541 1.00 0.00 O ATOM 1082 CB THR A 71 1.888 -9.569 4.868 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.526 -10.268 6.075 1.00 0.00 O ATOM 1084 CG2 THR A 71 2.105 -10.566 3.733 1.00 0.00 C ATOM 0 H THR A 71 4.011 -10.390 5.955 1.00 0.00 H new ATOM 0 HA THR A 71 3.509 -8.283 4.177 1.00 0.00 H new ATOM 0 HB THR A 71 1.076 -8.909 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.742 -10.831 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.205 -11.165 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.323 -10.026 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.942 -11.220 3.978 1.00 0.00 H new ATOM 1092 N GLU A 72 2.820 -7.698 7.357 1.00 0.00 N ATOM 1093 CA GLU A 72 2.432 -6.699 8.372 1.00 0.00 C ATOM 1094 C GLU A 72 3.281 -5.408 8.269 1.00 0.00 C ATOM 1095 O GLU A 72 2.786 -4.306 8.526 1.00 0.00 O ATOM 1096 CB GLU A 72 2.538 -7.332 9.786 1.00 0.00 C ATOM 1097 CG GLU A 72 1.960 -6.469 10.929 1.00 0.00 C ATOM 1098 CD GLU A 72 1.901 -7.194 12.284 1.00 0.00 C ATOM 1099 OE1 GLU A 72 0.940 -7.962 12.518 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.812 -6.999 13.118 1.00 0.00 O ATOM 0 H GLU A 72 3.174 -8.567 7.756 1.00 0.00 H new ATOM 0 HA GLU A 72 1.399 -6.404 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.022 -8.292 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.587 -7.536 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.566 -5.569 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.955 -6.146 10.656 1.00 0.00 H new ATOM 1107 N GLN A 73 4.560 -5.572 7.884 1.00 0.00 N ATOM 1108 CA GLN A 73 5.506 -4.446 7.716 1.00 0.00 C ATOM 1109 C GLN A 73 5.081 -3.512 6.565 1.00 0.00 C ATOM 1110 O GLN A 73 5.412 -2.321 6.561 1.00 0.00 O ATOM 1111 CB GLN A 73 6.938 -4.976 7.468 1.00 0.00 C ATOM 1112 CG GLN A 73 8.025 -3.876 7.376 1.00 0.00 C ATOM 1113 CD GLN A 73 9.421 -4.384 7.012 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.502 -5.405 6.175 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 10.429 -3.831 7.453 1.00 0.00 N flip ATOM 0 H GLN A 73 4.969 -6.484 7.681 1.00 0.00 H new ATOM 0 HA GLN A 73 5.493 -3.867 8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.202 -5.663 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.943 -5.552 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.716 -3.141 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.080 -3.358 8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.339 -3.045 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.354 -4.159 7.174 1.00 0.00 H new ATOM 1124 N TYR A 74 4.382 -4.074 5.572 1.00 0.00 N ATOM 1125 CA TYR A 74 3.916 -3.314 4.402 1.00 0.00 C ATOM 1126 C TYR A 74 2.395 -3.085 4.476 1.00 0.00 C ATOM 1127 O TYR A 74 1.949 -2.035 4.900 1.00 0.00 O ATOM 1128 CB TYR A 74 4.325 -4.046 3.093 1.00 0.00 C ATOM 1129 CG TYR A 74 5.845 -4.255 2.966 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.684 -3.184 2.672 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.439 -5.505 3.176 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.050 -3.341 2.588 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.806 -5.667 3.085 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.607 -4.579 2.793 1.00 0.00 C ATOM 1135 OH TYR A 74 9.974 -4.727 2.712 1.00 0.00 O ATOM 0 H TYR A 74 4.124 -5.061 5.554 1.00 0.00 H new ATOM 0 HA TYR A 74 4.393 -2.334 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.827 -5.015 3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.971 -3.472 2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.254 -2.207 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.817 -6.356 3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.680 -2.494 2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.248 -6.640 3.241 1.00 0.00 H new ATOM 0 HH TYR A 74 10.212 -5.662 2.883 1.00 0.00 H new ATOM 1145 N PHE A 75 1.624 -4.132 4.160 1.00 0.00 N ATOM 1146 CA PHE A 75 0.184 -4.065 3.812 1.00 0.00 C ATOM 1147 C PHE A 75 -0.741 -3.462 4.902 1.00 0.00 C ATOM 1148 O PHE A 75 -1.867 -3.064 4.573 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.297 -5.477 3.407 1.00 0.00 C ATOM 1150 CG PHE A 75 0.421 -6.054 2.183 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.672 -6.666 2.301 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.141 -5.959 0.917 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.329 -7.165 1.199 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.512 -6.464 -0.185 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.752 -7.060 -0.044 1.00 0.00 C ATOM 0 H PHE A 75 1.989 -5.084 4.136 1.00 0.00 H new ATOM 0 HA PHE A 75 0.106 -3.364 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.156 -6.153 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.367 -5.440 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.132 -6.749 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.103 -5.483 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.294 -7.637 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.055 -6.395 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.268 -7.444 -0.912 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.302 -3.406 6.182 1.00 0.00 N ATOM 1166 CA VAL A 76 -1.046 -2.648 7.223 1.00 0.00 C ATOM 1167 C VAL A 76 -1.000 -1.160 6.846 1.00 0.00 C ATOM 1168 O VAL A 76 0.072 -0.630 6.711 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.459 -2.845 8.669 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -1.233 -2.012 9.719 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.454 -4.327 9.067 1.00 0.00 C ATOM 0 H VAL A 76 0.545 -3.865 6.517 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.068 -3.026 7.253 1.00 0.00 H new ATOM 0 HB VAL A 76 0.570 -2.487 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.798 -2.175 10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.168 -0.954 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.279 -2.320 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.043 -4.433 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.474 -4.712 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.158 -4.891 8.363 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.162 -0.503 6.731 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.314 0.769 5.983 1.00 0.00 C ATOM 1183 C LEU A 77 -1.415 1.920 6.502 1.00 0.00 C ATOM 1184 O LEU A 77 -0.944 2.734 5.701 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.797 1.193 5.975 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.797 0.150 5.388 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.233 0.693 5.366 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.352 -0.342 3.993 1.00 0.00 C ATOM 0 H LEU A 77 -3.030 -0.833 7.152 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.974 0.574 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.096 1.419 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.888 2.117 5.404 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.790 -0.714 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.901 -0.062 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.546 0.935 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.273 1.591 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.073 -1.067 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.298 0.505 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.371 -0.811 4.068 1.00 0.00 H new ATOM 1200 N LYS A 78 -1.218 1.999 7.835 1.00 0.00 N ATOM 1201 CA LYS A 78 -0.246 2.946 8.451 1.00 0.00 C ATOM 1202 C LYS A 78 1.204 2.660 7.971 1.00 0.00 C ATOM 1203 O LYS A 78 1.963 3.583 7.638 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.322 2.879 10.006 1.00 0.00 C ATOM 1205 CG LYS A 78 -0.067 1.475 10.604 1.00 0.00 C ATOM 1206 CD LYS A 78 -0.104 1.423 12.149 1.00 0.00 C ATOM 1207 CE LYS A 78 0.203 0.006 12.679 1.00 0.00 C ATOM 1208 NZ LYS A 78 0.209 -0.061 14.162 1.00 0.00 N ATOM 0 H LYS A 78 -1.716 1.421 8.511 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.517 3.952 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.407 3.575 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.307 3.221 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.814 0.785 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.906 1.120 10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.621 2.128 12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.086 1.738 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.539 -0.692 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.173 -0.317 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.420 -1.033 14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.935 0.583 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.724 0.220 14.526 1.00 0.00 H new ATOM 1222 N ASN A 79 1.547 1.367 7.912 1.00 0.00 N ATOM 1223 CA ASN A 79 2.886 0.897 7.501 1.00 0.00 C ATOM 1224 C ASN A 79 3.068 1.092 5.991 1.00 0.00 C ATOM 1225 O ASN A 79 4.104 1.556 5.551 1.00 0.00 O ATOM 1226 CB ASN A 79 3.088 -0.602 7.858 1.00 0.00 C ATOM 1227 CG ASN A 79 3.186 -0.894 9.355 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.599 -0.215 10.183 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.927 -1.929 9.710 1.00 0.00 N ATOM 0 H ASN A 79 0.905 0.611 8.148 1.00 0.00 H new ATOM 0 HA ASN A 79 3.630 1.484 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.259 -1.175 7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.996 -0.958 7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.019 -2.177 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.407 -2.480 8.999 1.00 0.00 H new ATOM 1236 N LEU A 80 2.034 0.715 5.229 1.00 0.00 N ATOM 1237 CA LEU A 80 1.943 0.869 3.769 1.00 0.00 C ATOM 1238 C LEU A 80 2.157 2.327 3.366 1.00 0.00 C ATOM 1239 O LEU A 80 2.934 2.619 2.471 1.00 0.00 O ATOM 1240 CB LEU A 80 0.549 0.351 3.299 1.00 0.00 C ATOM 1241 CG LEU A 80 0.270 0.338 1.767 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.321 -0.499 1.003 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.169 -0.155 1.482 1.00 0.00 C ATOM 0 H LEU A 80 1.204 0.276 5.627 1.00 0.00 H new ATOM 0 HA LEU A 80 2.725 0.284 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.423 -0.665 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.216 0.963 3.776 1.00 0.00 H new ATOM 0 HG LEU A 80 0.355 1.361 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.093 -0.484 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.312 -0.077 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.300 -1.527 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.346 -0.158 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.291 -1.165 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.884 0.510 1.966 1.00 0.00 H new ATOM 1255 N ALA A 81 1.497 3.224 4.108 1.00 0.00 N ATOM 1256 CA ALA A 81 1.614 4.677 3.927 1.00 0.00 C ATOM 1257 C ALA A 81 3.038 5.167 4.215 1.00 0.00 C ATOM 1258 O ALA A 81 3.505 6.101 3.586 1.00 0.00 O ATOM 1259 CB ALA A 81 0.614 5.395 4.831 1.00 0.00 C ATOM 0 H ALA A 81 0.860 2.959 4.859 1.00 0.00 H new ATOM 0 HA ALA A 81 1.390 4.907 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.706 6.472 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.398 5.081 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.819 5.145 5.872 1.00 0.00 H new ATOM 1265 N ALA A 82 3.702 4.514 5.184 1.00 0.00 N ATOM 1266 CA ALA A 82 5.089 4.847 5.573 1.00 0.00 C ATOM 1267 C ALA A 82 6.110 4.338 4.528 1.00 0.00 C ATOM 1268 O ALA A 82 7.122 4.994 4.272 1.00 0.00 O ATOM 1269 CB ALA A 82 5.394 4.274 6.964 1.00 0.00 C ATOM 0 H ALA A 82 3.298 3.745 5.718 1.00 0.00 H new ATOM 0 HA ALA A 82 5.182 5.932 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.418 4.523 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.705 4.701 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.277 3.190 6.945 1.00 0.00 H new ATOM 1275 N ARG A 83 5.845 3.151 3.954 1.00 0.00 N ATOM 1276 CA ARG A 83 6.683 2.547 2.893 1.00 0.00 C ATOM 1277 C ARG A 83 6.534 3.306 1.560 1.00 0.00 C ATOM 1278 O ARG A 83 7.489 3.425 0.793 1.00 0.00 O ATOM 1279 CB ARG A 83 6.307 1.055 2.695 1.00 0.00 C ATOM 1280 CG ARG A 83 6.454 0.170 3.949 1.00 0.00 C ATOM 1281 CD ARG A 83 7.863 0.225 4.561 1.00 0.00 C ATOM 1282 NE ARG A 83 8.919 -0.123 3.591 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.239 -0.062 3.832 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.711 0.352 5.006 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.084 -0.403 2.882 1.00 0.00 N ATOM 0 H ARG A 83 5.041 2.578 4.211 1.00 0.00 H new ATOM 0 HA ARG A 83 7.723 2.618 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.275 1.000 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.931 0.641 1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.726 0.485 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.217 -0.862 3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.047 1.227 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.914 -0.459 5.408 1.00 0.00 H new ATOM 0 HE ARG A 83 8.624 -0.434 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.066 0.631 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.718 0.390 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.734 -0.710 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.089 -0.361 3.054 1.00 0.00 H new ATOM 1299 N ILE A 84 5.320 3.783 1.299 1.00 0.00 N ATOM 1300 CA ILE A 84 5.017 4.631 0.135 1.00 0.00 C ATOM 1301 C ILE A 84 5.624 6.030 0.340 1.00 0.00 C ATOM 1302 O ILE A 84 6.154 6.621 -0.594 1.00 0.00 O ATOM 1303 CB ILE A 84 3.466 4.698 -0.117 1.00 0.00 C ATOM 1304 CG1 ILE A 84 2.950 3.288 -0.547 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.076 5.780 -1.156 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.447 3.158 -0.610 1.00 0.00 C ATOM 0 H ILE A 84 4.509 3.595 1.889 1.00 0.00 H new ATOM 0 HA ILE A 84 5.467 4.193 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 84 2.986 4.992 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.363 3.048 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.336 2.546 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.994 5.782 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.399 6.759 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.560 5.561 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.182 2.146 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.023 3.362 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.050 3.872 -1.332 1.00 0.00 H new ATOM 1318 N ASP A 85 5.539 6.529 1.584 1.00 0.00 N ATOM 1319 CA ASP A 85 6.233 7.760 2.025 1.00 0.00 C ATOM 1320 C ASP A 85 7.759 7.654 1.811 1.00 0.00 C ATOM 1321 O ASP A 85 8.409 8.626 1.417 1.00 0.00 O ATOM 1322 CB ASP A 85 5.923 8.037 3.513 1.00 0.00 C ATOM 1323 CG ASP A 85 6.512 9.355 4.021 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.890 10.415 3.791 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.596 9.346 4.649 1.00 0.00 O ATOM 0 H ASP A 85 4.985 6.091 2.320 1.00 0.00 H new ATOM 0 HA ASP A 85 5.867 8.589 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.842 8.052 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.312 7.217 4.116 1.00 0.00 H new ATOM 1330 N GLU A 86 8.302 6.455 2.076 1.00 0.00 N ATOM 1331 CA GLU A 86 9.714 6.119 1.833 1.00 0.00 C ATOM 1332 C GLU A 86 10.040 6.260 0.328 1.00 0.00 C ATOM 1333 O GLU A 86 11.043 6.860 -0.031 1.00 0.00 O ATOM 1334 CB GLU A 86 9.985 4.672 2.343 1.00 0.00 C ATOM 1335 CG GLU A 86 11.430 4.155 2.191 1.00 0.00 C ATOM 1336 CD GLU A 86 12.473 4.927 3.022 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.220 5.202 4.215 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.559 5.237 2.489 1.00 0.00 O ATOM 0 H GLU A 86 7.766 5.682 2.470 1.00 0.00 H new ATOM 0 HA GLU A 86 10.363 6.807 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.713 4.624 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.320 3.991 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.459 3.104 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.712 4.205 1.139 1.00 0.00 H new ATOM 1345 N LEU A 87 9.151 5.714 -0.528 1.00 0.00 N ATOM 1346 CA LEU A 87 9.283 5.763 -2.004 1.00 0.00 C ATOM 1347 C LEU A 87 9.153 7.199 -2.585 1.00 0.00 C ATOM 1348 O LEU A 87 9.919 7.564 -3.482 1.00 0.00 O ATOM 1349 CB LEU A 87 8.236 4.824 -2.665 1.00 0.00 C ATOM 1350 CG LEU A 87 8.349 3.311 -2.294 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.201 2.496 -2.916 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.734 2.734 -2.679 1.00 0.00 C ATOM 0 H LEU A 87 8.314 5.222 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 87 10.291 5.422 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.240 5.172 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.322 4.921 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 87 8.257 3.230 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.308 1.447 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.247 2.873 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.234 2.590 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.777 1.680 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.885 2.838 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.515 3.278 -2.148 1.00 0.00 H new ATOM 1364 N VAL A 88 8.182 7.999 -2.087 1.00 0.00 N ATOM 1365 CA VAL A 88 7.927 9.373 -2.609 1.00 0.00 C ATOM 1366 C VAL A 88 9.075 10.323 -2.211 1.00 0.00 C ATOM 1367 O VAL A 88 9.391 11.278 -2.930 1.00 0.00 O ATOM 1368 CB VAL A 88 6.530 9.973 -2.151 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.348 9.070 -2.584 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.475 10.255 -0.631 1.00 0.00 C ATOM 0 H VAL A 88 7.561 7.723 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 88 7.884 9.285 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 88 6.430 10.931 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.410 9.515 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.341 8.976 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.461 8.083 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.498 10.664 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.637 9.327 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.251 10.973 -0.366 1.00 0.00 H new ATOM 1380 N ALA A 89 9.665 10.050 -1.042 1.00 0.00 N ATOM 1381 CA ALA A 89 10.872 10.743 -0.585 1.00 0.00 C ATOM 1382 C ALA A 89 12.080 10.310 -1.447 1.00 0.00 C ATOM 1383 O ALA A 89 12.786 11.154 -2.013 1.00 0.00 O ATOM 1384 CB ALA A 89 11.122 10.447 0.901 1.00 0.00 C ATOM 0 H ALA A 89 9.320 9.346 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 89 10.735 11.819 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.022 10.967 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.270 10.789 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.252 9.374 1.041 1.00 0.00 H new ATOM 1390 N ALA A 90 12.266 8.976 -1.561 1.00 0.00 N ATOM 1391 CA ALA A 90 13.395 8.334 -2.273 1.00 0.00 C ATOM 1392 C ALA A 90 13.551 8.804 -3.725 1.00 0.00 C ATOM 1393 O ALA A 90 14.667 9.052 -4.164 1.00 0.00 O ATOM 1394 CB ALA A 90 13.249 6.800 -2.234 1.00 0.00 C ATOM 0 H ALA A 90 11.621 8.300 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 90 14.299 8.640 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.086 6.341 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.243 6.461 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.315 6.511 -2.715 1.00 0.00 H new