USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl -156:sc= -0.977 (180deg=-2.77!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 148:sc= -0.461 (180deg=-2.05!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0.0649 USER MOD Single : A 46 MET CE :methyl -152:sc= -5.07! (180deg=-6.76!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -6.94! C(o=-6.9!,f=-17!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 54 THR OG1 : rot -160:sc= -1.81! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -43:sc= 0.485 USER MOD Single : A 81 MET CE :methyl 135:sc= -1.72 (180deg=-3.55!) USER MOD Single : A 82 MET CE :methyl -151:sc= -2.94 (180deg=-5.27!) USER MOD Single : A 85 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.3!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.347 -5.039 -12.004 1.00 0.00 N ATOM 25 CA MET A 3 64.182 -4.836 -10.535 1.00 0.00 C ATOM 26 C MET A 3 62.863 -4.117 -10.244 1.00 0.00 C ATOM 27 O MET A 3 62.312 -4.221 -9.167 1.00 0.00 O ATOM 28 CB MET A 3 65.367 -3.965 -10.122 1.00 0.00 C ATOM 29 CG MET A 3 66.350 -4.796 -9.294 1.00 0.00 C ATOM 30 SD MET A 3 66.978 -3.798 -7.922 1.00 0.00 S ATOM 31 CE MET A 3 68.599 -3.425 -8.633 1.00 0.00 C ATOM 0 HA MET A 3 64.157 -5.779 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.865 -3.568 -11.006 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.019 -3.110 -9.542 1.00 0.00 H new ATOM 0 HG2 MET A 3 65.856 -5.689 -8.912 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.176 -5.133 -9.921 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.303 -3.197 -7.833 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.956 -4.287 -9.196 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.515 -2.566 -9.299 1.00 0.00 H new ATOM 41 N THR A 4 62.353 -3.386 -11.198 1.00 0.00 N ATOM 42 CA THR A 4 61.069 -2.661 -10.976 1.00 0.00 C ATOM 43 C THR A 4 59.976 -3.639 -10.541 1.00 0.00 C ATOM 44 O THR A 4 58.947 -3.246 -10.028 1.00 0.00 O ATOM 45 CB THR A 4 60.728 -2.041 -12.332 1.00 0.00 C ATOM 46 OG1 THR A 4 59.625 -1.158 -12.182 1.00 0.00 O ATOM 47 CG2 THR A 4 60.367 -3.147 -13.325 1.00 0.00 C ATOM 0 H THR A 4 62.769 -3.260 -12.121 1.00 0.00 H new ATOM 0 HA THR A 4 61.149 -1.909 -10.191 1.00 0.00 H new ATOM 0 HB THR A 4 61.589 -1.488 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.406 -0.758 -13.049 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.124 -2.704 -14.291 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.214 -3.824 -13.439 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.506 -3.702 -12.954 1.00 0.00 H new ATOM 55 N ASP A 5 60.188 -4.911 -10.741 1.00 0.00 N ATOM 56 CA ASP A 5 59.157 -5.910 -10.337 1.00 0.00 C ATOM 57 C ASP A 5 59.204 -6.137 -8.823 1.00 0.00 C ATOM 58 O ASP A 5 58.186 -6.201 -8.164 1.00 0.00 O ATOM 59 CB ASP A 5 59.533 -7.191 -11.083 1.00 0.00 C ATOM 60 CG ASP A 5 58.919 -7.165 -12.484 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.272 -6.183 -12.807 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.107 -8.127 -13.209 1.00 0.00 O ATOM 0 H ASP A 5 61.029 -5.302 -11.166 1.00 0.00 H new ATOM 0 HA ASP A 5 58.146 -5.580 -10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.617 -7.280 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.176 -8.062 -10.534 1.00 0.00 H new ATOM 67 N GLN A 6 60.380 -6.258 -8.268 1.00 0.00 N ATOM 68 CA GLN A 6 60.489 -6.479 -6.797 1.00 0.00 C ATOM 69 C GLN A 6 60.248 -5.168 -6.046 1.00 0.00 C ATOM 70 O GLN A 6 60.196 -5.138 -4.833 1.00 0.00 O ATOM 71 CB GLN A 6 61.920 -6.971 -6.574 1.00 0.00 C ATOM 72 CG GLN A 6 62.035 -7.585 -5.178 1.00 0.00 C ATOM 73 CD GLN A 6 63.404 -8.249 -5.022 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.497 -9.388 -4.611 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.480 -7.580 -5.338 1.00 0.00 N ATOM 0 H GLN A 6 61.268 -6.214 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 6 59.752 -7.194 -6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.184 -7.709 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.621 -6.143 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.905 -6.814 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.244 -8.319 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.403 -6.623 -5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 6 65.398 -8.014 -5.240 1.00 0.00 H new ATOM 84 N GLN A 7 60.100 -4.085 -6.756 1.00 0.00 N ATOM 85 CA GLN A 7 59.861 -2.778 -6.080 1.00 0.00 C ATOM 86 C GLN A 7 58.410 -2.690 -5.600 1.00 0.00 C ATOM 87 O GLN A 7 58.056 -1.832 -4.817 1.00 0.00 O ATOM 88 CB GLN A 7 60.137 -1.721 -7.149 1.00 0.00 C ATOM 89 CG GLN A 7 60.073 -0.328 -6.518 1.00 0.00 C ATOM 90 CD GLN A 7 59.158 0.570 -7.354 1.00 0.00 C ATOM 91 OE1 GLN A 7 57.957 0.575 -7.168 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.678 1.335 -8.274 1.00 0.00 N ATOM 0 H GLN A 7 60.134 -4.047 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 7 60.495 -2.645 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.118 -1.886 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.405 -1.802 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.698 -0.397 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.072 0.104 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.686 1.331 -8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 7 59.077 1.937 -8.837 1.00 0.00 H new ATOM 101 N ALA A 8 57.568 -3.571 -6.067 1.00 0.00 N ATOM 102 CA ALA A 8 56.139 -3.538 -5.639 1.00 0.00 C ATOM 103 C ALA A 8 55.951 -4.364 -4.364 1.00 0.00 C ATOM 104 O ALA A 8 55.295 -3.945 -3.432 1.00 0.00 O ATOM 105 CB ALA A 8 55.364 -4.159 -6.801 1.00 0.00 C ATOM 0 H ALA A 8 57.807 -4.312 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 8 55.797 -2.528 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.300 -4.172 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.527 -3.570 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.711 -5.179 -6.966 1.00 0.00 H new ATOM 111 N GLU A 9 56.520 -5.538 -4.317 1.00 0.00 N ATOM 112 CA GLU A 9 56.372 -6.389 -3.102 1.00 0.00 C ATOM 113 C GLU A 9 57.465 -6.053 -2.081 1.00 0.00 C ATOM 114 O GLU A 9 57.500 -6.598 -0.995 1.00 0.00 O ATOM 115 CB GLU A 9 56.529 -7.825 -3.602 1.00 0.00 C ATOM 116 CG GLU A 9 55.150 -8.415 -3.906 1.00 0.00 C ATOM 117 CD GLU A 9 55.111 -8.909 -5.353 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.881 -8.402 -6.152 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.314 -9.788 -5.637 1.00 0.00 O ATOM 0 H GLU A 9 57.080 -5.944 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 9 55.415 -6.233 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.149 -7.843 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.037 -8.429 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.937 -9.238 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.378 -7.662 -3.747 1.00 0.00 H new ATOM 126 N ALA A 10 58.361 -5.167 -2.422 1.00 0.00 N ATOM 127 CA ALA A 10 59.452 -4.806 -1.472 1.00 0.00 C ATOM 128 C ALA A 10 58.943 -3.820 -0.416 1.00 0.00 C ATOM 129 O ALA A 10 59.500 -3.707 0.658 1.00 0.00 O ATOM 130 CB ALA A 10 60.534 -4.158 -2.335 1.00 0.00 C ATOM 0 H ALA A 10 58.385 -4.678 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 10 59.827 -5.676 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.374 -3.864 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.876 -4.870 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.125 -3.277 -2.830 1.00 0.00 H new ATOM 136 N ARG A 11 57.887 -3.106 -0.706 1.00 0.00 N ATOM 137 CA ARG A 11 57.354 -2.134 0.298 1.00 0.00 C ATOM 138 C ARG A 11 56.102 -2.710 0.964 1.00 0.00 C ATOM 139 O ARG A 11 55.812 -2.427 2.110 1.00 0.00 O ATOM 140 CB ARG A 11 57.003 -0.827 -0.451 1.00 0.00 C ATOM 141 CG ARG A 11 57.259 -0.942 -1.961 1.00 0.00 C ATOM 142 CD ARG A 11 56.070 -1.636 -2.627 1.00 0.00 C ATOM 143 NE ARG A 11 55.030 -0.578 -2.756 1.00 0.00 N ATOM 144 CZ ARG A 11 55.219 0.429 -3.565 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.343 0.221 -4.847 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.284 1.643 -3.091 1.00 0.00 N ATOM 0 H ARG A 11 57.373 -3.152 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 11 58.095 -1.939 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.955 -0.581 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.594 -0.006 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.405 0.048 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.173 -1.507 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 11 56.344 -2.041 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 11 55.712 -2.471 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 11 54.169 -0.640 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.292 -0.728 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 11 55.491 1.008 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.187 1.805 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.432 2.430 -3.723 1.00 0.00 H new ATOM 160 N ALA A 12 55.358 -3.518 0.259 1.00 0.00 N ATOM 161 CA ALA A 12 54.127 -4.109 0.859 1.00 0.00 C ATOM 162 C ALA A 12 54.483 -4.887 2.129 1.00 0.00 C ATOM 163 O ALA A 12 53.639 -5.160 2.959 1.00 0.00 O ATOM 164 CB ALA A 12 53.577 -5.052 -0.212 1.00 0.00 C ATOM 0 H ALA A 12 55.548 -3.794 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 12 53.399 -3.349 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.667 -5.528 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.351 -4.485 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.320 -5.817 -0.440 1.00 0.00 H new ATOM 170 N PHE A 13 55.729 -5.243 2.288 1.00 0.00 N ATOM 171 CA PHE A 13 56.141 -6.001 3.504 1.00 0.00 C ATOM 172 C PHE A 13 55.788 -5.202 4.764 1.00 0.00 C ATOM 173 O PHE A 13 55.434 -5.759 5.785 1.00 0.00 O ATOM 174 CB PHE A 13 57.657 -6.165 3.368 1.00 0.00 C ATOM 175 CG PHE A 13 58.263 -6.477 4.717 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.857 -7.616 5.422 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.230 -5.623 5.264 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.418 -7.902 6.672 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.792 -5.910 6.513 1.00 0.00 C ATOM 180 CZ PHE A 13 59.385 -7.051 7.218 1.00 0.00 C ATOM 0 H PHE A 13 56.480 -5.041 1.628 1.00 0.00 H new ATOM 0 HA PHE A 13 55.636 -6.963 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.883 -6.966 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.096 -5.252 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.111 -8.274 5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.542 -4.743 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.104 -8.781 7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.539 -5.253 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.818 -7.273 8.182 1.00 0.00 H new ATOM 190 N LEU A 14 55.884 -3.902 4.699 1.00 0.00 N ATOM 191 CA LEU A 14 55.556 -3.070 5.893 1.00 0.00 C ATOM 192 C LEU A 14 54.333 -2.194 5.611 1.00 0.00 C ATOM 193 O LEU A 14 54.063 -1.831 4.484 1.00 0.00 O ATOM 194 CB LEU A 14 56.795 -2.202 6.123 1.00 0.00 C ATOM 195 CG LEU A 14 57.265 -1.620 4.789 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.772 -0.193 5.004 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.396 -2.484 4.227 1.00 0.00 C ATOM 0 H LEU A 14 56.175 -3.380 3.872 1.00 0.00 H new ATOM 0 HA LEU A 14 55.315 -3.678 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.564 -1.398 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.590 -2.796 6.573 1.00 0.00 H new ATOM 0 HG LEU A 14 56.433 -1.607 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.107 0.221 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 56.967 0.423 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.604 -0.205 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.732 -2.070 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.228 -2.497 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.035 -3.501 4.073 1.00 0.00 H new ATOM 209 N SER A 15 53.592 -1.851 6.629 1.00 0.00 N ATOM 210 CA SER A 15 52.386 -0.998 6.420 1.00 0.00 C ATOM 211 C SER A 15 52.793 0.365 5.855 1.00 0.00 C ATOM 212 O SER A 15 53.952 0.730 5.857 1.00 0.00 O ATOM 213 CB SER A 15 51.768 -0.840 7.807 1.00 0.00 C ATOM 214 OG SER A 15 50.417 -1.279 7.772 1.00 0.00 O ATOM 0 H SER A 15 53.769 -2.124 7.596 1.00 0.00 H new ATOM 0 HA SER A 15 51.686 -1.439 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.332 -1.420 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.816 0.202 8.122 1.00 0.00 H new ATOM 0 HG SER A 15 50.018 -1.180 8.662 1.00 0.00 H new ATOM 220 N GLU A 16 51.846 1.122 5.371 1.00 0.00 N ATOM 221 CA GLU A 16 52.175 2.461 4.806 1.00 0.00 C ATOM 222 C GLU A 16 52.770 3.362 5.892 1.00 0.00 C ATOM 223 O GLU A 16 53.715 4.090 5.660 1.00 0.00 O ATOM 224 CB GLU A 16 50.837 3.017 4.317 1.00 0.00 C ATOM 225 CG GLU A 16 51.078 4.295 3.514 1.00 0.00 C ATOM 226 CD GLU A 16 50.326 4.211 2.184 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.140 4.495 2.178 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.950 3.863 1.195 1.00 0.00 O ATOM 0 H GLU A 16 50.858 0.870 5.343 1.00 0.00 H new ATOM 0 HA GLU A 16 52.912 2.405 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.328 2.277 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.186 3.226 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.740 5.163 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.145 4.428 3.333 1.00 0.00 H new ATOM 235 N GLU A 17 52.224 3.317 7.078 1.00 0.00 N ATOM 236 CA GLU A 17 52.759 4.171 8.178 1.00 0.00 C ATOM 237 C GLU A 17 54.276 4.002 8.291 1.00 0.00 C ATOM 238 O GLU A 17 55.007 4.960 8.452 1.00 0.00 O ATOM 239 CB GLU A 17 52.068 3.660 9.443 1.00 0.00 C ATOM 240 CG GLU A 17 52.218 4.693 10.562 1.00 0.00 C ATOM 241 CD GLU A 17 51.033 4.580 11.522 1.00 0.00 C ATOM 242 OE1 GLU A 17 49.910 4.585 11.049 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.271 4.489 12.716 1.00 0.00 O ATOM 0 H GLU A 17 51.432 2.727 7.332 1.00 0.00 H new ATOM 0 HA GLU A 17 52.571 5.231 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.012 3.475 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.505 2.710 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.152 4.530 11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.264 5.697 10.141 1.00 0.00 H new ATOM 250 N MET A 18 54.755 2.792 8.208 1.00 0.00 N ATOM 251 CA MET A 18 56.225 2.562 8.311 1.00 0.00 C ATOM 252 C MET A 18 56.949 3.230 7.139 1.00 0.00 C ATOM 253 O MET A 18 57.929 3.926 7.319 1.00 0.00 O ATOM 254 CB MET A 18 56.395 1.045 8.250 1.00 0.00 C ATOM 255 CG MET A 18 57.881 0.702 8.155 1.00 0.00 C ATOM 256 SD MET A 18 58.707 1.183 9.692 1.00 0.00 S ATOM 257 CE MET A 18 57.772 0.101 10.800 1.00 0.00 C ATOM 0 H MET A 18 54.193 1.952 8.073 1.00 0.00 H new ATOM 0 HA MET A 18 56.645 2.983 9.225 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.960 0.584 9.137 1.00 0.00 H new ATOM 0 HB3 MET A 18 55.862 0.643 7.388 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.009 -0.366 7.979 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.332 1.220 7.309 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.410 -0.212 11.627 1.00 0.00 H new ATOM 0 HE2 MET A 18 56.909 0.639 11.191 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.434 -0.777 10.251 1.00 0.00 H new ATOM 267 N ILE A 19 56.477 3.026 5.940 1.00 0.00 N ATOM 268 CA ILE A 19 57.142 3.653 4.762 1.00 0.00 C ATOM 269 C ILE A 19 57.459 5.120 5.061 1.00 0.00 C ATOM 270 O ILE A 19 58.418 5.674 4.562 1.00 0.00 O ATOM 271 CB ILE A 19 56.126 3.531 3.623 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.193 2.118 3.035 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.448 4.549 2.526 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.779 1.550 2.904 1.00 0.00 C ATOM 0 H ILE A 19 55.661 2.453 5.725 1.00 0.00 H new ATOM 0 HA ILE A 19 58.087 3.173 4.509 1.00 0.00 H new ATOM 0 HB ILE A 19 55.126 3.725 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.678 2.142 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.796 1.475 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.721 4.456 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.404 5.556 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.448 4.360 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.828 0.545 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.310 1.511 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.190 2.189 2.246 1.00 0.00 H new ATOM 286 N ALA A 20 56.660 5.754 5.877 1.00 0.00 N ATOM 287 CA ALA A 20 56.918 7.184 6.211 1.00 0.00 C ATOM 288 C ALA A 20 58.061 7.287 7.224 1.00 0.00 C ATOM 289 O ALA A 20 58.720 8.302 7.332 1.00 0.00 O ATOM 290 CB ALA A 20 55.612 7.689 6.825 1.00 0.00 C ATOM 0 H ALA A 20 55.841 5.344 6.326 1.00 0.00 H new ATOM 0 HA ALA A 20 57.210 7.768 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.721 8.738 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.805 7.585 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.378 7.104 7.715 1.00 0.00 H new ATOM 296 N GLU A 21 58.301 6.241 7.967 1.00 0.00 N ATOM 297 CA GLU A 21 59.400 6.274 8.973 1.00 0.00 C ATOM 298 C GLU A 21 60.760 6.228 8.272 1.00 0.00 C ATOM 299 O GLU A 21 61.711 6.852 8.700 1.00 0.00 O ATOM 300 CB GLU A 21 59.190 5.021 9.826 1.00 0.00 C ATOM 301 CG GLU A 21 60.458 4.732 10.633 1.00 0.00 C ATOM 302 CD GLU A 21 60.079 4.087 11.966 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.989 2.871 12.010 1.00 0.00 O ATOM 304 OE2 GLU A 21 59.884 4.820 12.923 1.00 0.00 O ATOM 0 H GLU A 21 57.783 5.364 7.920 1.00 0.00 H new ATOM 0 HA GLU A 21 59.386 7.183 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.344 5.164 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 21 58.951 4.170 9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.116 4.070 10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.009 5.656 10.808 1.00 0.00 H new ATOM 311 N PHE A 22 60.861 5.493 7.199 1.00 0.00 N ATOM 312 CA PHE A 22 62.162 5.409 6.473 1.00 0.00 C ATOM 313 C PHE A 22 62.367 6.656 5.607 1.00 0.00 C ATOM 314 O PHE A 22 63.474 7.115 5.417 1.00 0.00 O ATOM 315 CB PHE A 22 62.046 4.162 5.593 1.00 0.00 C ATOM 316 CG PHE A 22 61.722 2.956 6.445 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.957 2.980 7.826 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.186 1.807 5.848 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.656 1.859 8.609 1.00 0.00 C ATOM 320 CE2 PHE A 22 60.886 0.686 6.631 1.00 0.00 C ATOM 321 CZ PHE A 22 61.120 0.711 8.011 1.00 0.00 C ATOM 0 H PHE A 22 60.101 4.947 6.793 1.00 0.00 H new ATOM 0 HA PHE A 22 63.011 5.351 7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.268 4.307 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.980 3.998 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.371 3.864 8.287 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.004 1.786 4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.837 1.879 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.474 -0.199 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.887 -0.154 8.614 1.00 0.00 H new ATOM 331 N LYS A 23 61.305 7.202 5.081 1.00 0.00 N ATOM 332 CA LYS A 23 61.438 8.416 4.224 1.00 0.00 C ATOM 333 C LYS A 23 62.368 9.437 4.887 1.00 0.00 C ATOM 334 O LYS A 23 63.439 9.726 4.392 1.00 0.00 O ATOM 335 CB LYS A 23 60.018 8.975 4.112 1.00 0.00 C ATOM 336 CG LYS A 23 59.928 9.904 2.900 1.00 0.00 C ATOM 337 CD LYS A 23 60.043 9.081 1.615 1.00 0.00 C ATOM 338 CE LYS A 23 59.142 9.687 0.536 1.00 0.00 C ATOM 339 NZ LYS A 23 57.850 8.955 0.659 1.00 0.00 N ATOM 0 H LYS A 23 60.352 6.861 5.207 1.00 0.00 H new ATOM 0 HA LYS A 23 61.867 8.188 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.302 8.159 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.757 9.519 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.982 10.446 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.723 10.649 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.078 9.065 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.754 8.047 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.006 10.757 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.575 9.561 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.179 9.315 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.010 7.940 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.459 9.099 1.612 1.00 0.00 H new ATOM 353 N ALA A 24 61.970 9.984 6.002 1.00 0.00 N ATOM 354 CA ALA A 24 62.834 10.985 6.693 1.00 0.00 C ATOM 355 C ALA A 24 64.162 10.343 7.103 1.00 0.00 C ATOM 356 O ALA A 24 65.098 11.020 7.481 1.00 0.00 O ATOM 357 CB ALA A 24 62.040 11.408 7.928 1.00 0.00 C ATOM 0 H ALA A 24 61.084 9.782 6.465 1.00 0.00 H new ATOM 0 HA ALA A 24 63.075 11.834 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.610 12.146 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.090 11.843 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.853 10.537 8.556 1.00 0.00 H new ATOM 363 N ALA A 25 64.250 9.044 7.035 1.00 0.00 N ATOM 364 CA ALA A 25 65.516 8.361 7.426 1.00 0.00 C ATOM 365 C ALA A 25 66.450 8.233 6.219 1.00 0.00 C ATOM 366 O ALA A 25 67.613 8.578 6.284 1.00 0.00 O ATOM 367 CB ALA A 25 65.082 6.979 7.914 1.00 0.00 C ATOM 0 H ALA A 25 63.500 8.425 6.726 1.00 0.00 H new ATOM 0 HA ALA A 25 66.063 8.914 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 25 65.959 6.410 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.405 7.088 8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.572 6.452 7.108 1.00 0.00 H new ATOM 373 N PHE A 26 65.954 7.737 5.118 1.00 0.00 N ATOM 374 CA PHE A 26 66.821 7.586 3.913 1.00 0.00 C ATOM 375 C PHE A 26 67.184 8.958 3.340 1.00 0.00 C ATOM 376 O PHE A 26 68.270 9.161 2.834 1.00 0.00 O ATOM 377 CB PHE A 26 65.980 6.794 2.913 1.00 0.00 C ATOM 378 CG PHE A 26 66.666 6.801 1.569 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.442 7.854 0.674 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.530 5.756 1.217 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.081 7.863 -0.571 1.00 0.00 C ATOM 382 CE2 PHE A 26 68.168 5.765 -0.028 1.00 0.00 C ATOM 383 CZ PHE A 26 67.945 6.818 -0.922 1.00 0.00 C ATOM 0 H PHE A 26 64.988 7.430 5.000 1.00 0.00 H new ATOM 0 HA PHE A 26 67.760 7.083 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.848 5.770 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.986 7.232 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.776 8.660 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.704 4.943 1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.908 8.676 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.833 4.959 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 26 68.439 6.825 -1.882 1.00 0.00 H new ATOM 393 N ASP A 27 66.285 9.901 3.413 1.00 0.00 N ATOM 394 CA ASP A 27 66.583 11.257 2.868 1.00 0.00 C ATOM 395 C ASP A 27 67.680 11.933 3.696 1.00 0.00 C ATOM 396 O ASP A 27 68.164 12.993 3.353 1.00 0.00 O ATOM 397 CB ASP A 27 65.268 12.029 2.989 1.00 0.00 C ATOM 398 CG ASP A 27 64.467 11.878 1.694 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.685 10.901 0.997 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.650 12.742 1.422 1.00 0.00 O ATOM 0 H ASP A 27 65.359 9.792 3.826 1.00 0.00 H new ATOM 0 HA ASP A 27 66.941 11.218 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.690 11.653 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.469 13.082 3.184 1.00 0.00 H new ATOM 405 N MET A 28 68.074 11.329 4.782 1.00 0.00 N ATOM 406 CA MET A 28 69.136 11.938 5.633 1.00 0.00 C ATOM 407 C MET A 28 70.394 12.215 4.806 1.00 0.00 C ATOM 408 O MET A 28 71.155 13.117 5.101 1.00 0.00 O ATOM 409 CB MET A 28 69.424 10.893 6.711 1.00 0.00 C ATOM 410 CG MET A 28 68.294 10.895 7.740 1.00 0.00 C ATOM 411 SD MET A 28 68.651 12.118 9.025 1.00 0.00 S ATOM 412 CE MET A 28 68.907 10.949 10.383 1.00 0.00 C ATOM 0 H MET A 28 67.707 10.439 5.118 1.00 0.00 H new ATOM 0 HA MET A 28 68.824 12.892 6.058 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.517 9.905 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.374 11.111 7.199 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.346 11.128 7.255 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.190 9.905 8.184 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.145 11.497 11.295 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.999 10.365 10.536 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.731 10.280 10.137 1.00 0.00 H new ATOM 422 N PHE A 29 70.628 11.446 3.780 1.00 0.00 N ATOM 423 CA PHE A 29 71.848 11.668 2.946 1.00 0.00 C ATOM 424 C PHE A 29 71.456 12.077 1.523 1.00 0.00 C ATOM 425 O PHE A 29 72.199 11.873 0.583 1.00 0.00 O ATOM 426 CB PHE A 29 72.581 10.322 2.932 1.00 0.00 C ATOM 427 CG PHE A 29 72.531 9.703 4.309 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.469 8.859 4.657 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.541 9.977 5.237 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.419 8.287 5.932 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.490 9.405 6.514 1.00 0.00 C ATOM 432 CZ PHE A 29 72.429 8.561 6.862 1.00 0.00 C ATOM 0 H PHE A 29 70.031 10.675 3.481 1.00 0.00 H new ATOM 0 HA PHE A 29 72.473 12.467 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.120 9.653 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.617 10.464 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.688 8.650 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.359 10.629 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.601 7.634 6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.270 9.615 7.231 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.389 8.121 7.848 1.00 0.00 H new ATOM 442 N ASP A 30 70.299 12.655 1.357 1.00 0.00 N ATOM 443 CA ASP A 30 69.868 13.077 -0.007 1.00 0.00 C ATOM 444 C ASP A 30 69.983 14.596 -0.152 1.00 0.00 C ATOM 445 O ASP A 30 69.131 15.241 -0.731 1.00 0.00 O ATOM 446 CB ASP A 30 68.407 12.638 -0.113 1.00 0.00 C ATOM 447 CG ASP A 30 68.240 11.702 -1.311 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.040 11.795 -2.226 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.315 10.907 -1.291 1.00 0.00 O ATOM 0 H ASP A 30 69.634 12.854 2.104 1.00 0.00 H new ATOM 0 HA ASP A 30 70.485 12.636 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.101 12.132 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.762 13.509 -0.226 1.00 0.00 H new ATOM 490 N GLY A 35 66.248 12.313 -3.844 1.00 0.00 N ATOM 491 CA GLY A 35 65.494 11.058 -3.565 1.00 0.00 C ATOM 492 C GLY A 35 66.425 9.856 -3.733 1.00 0.00 C ATOM 493 O GLY A 35 65.984 8.731 -3.857 1.00 0.00 O ATOM 0 HA2 GLY A 35 65.091 11.081 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.646 10.972 -4.244 1.00 0.00 H new ATOM 497 N ASP A 36 67.709 10.085 -3.737 1.00 0.00 N ATOM 498 CA ASP A 36 68.669 8.955 -3.897 1.00 0.00 C ATOM 499 C ASP A 36 70.033 9.331 -3.314 1.00 0.00 C ATOM 500 O ASP A 36 70.610 10.342 -3.662 1.00 0.00 O ATOM 501 CB ASP A 36 68.774 8.734 -5.406 1.00 0.00 C ATOM 502 CG ASP A 36 68.936 10.083 -6.110 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.937 10.738 -5.871 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.054 10.438 -6.875 1.00 0.00 O ATOM 0 H ASP A 36 68.136 11.006 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 36 68.338 8.057 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.624 8.090 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.882 8.225 -5.773 1.00 0.00 H new ATOM 509 N ILE A 37 70.553 8.526 -2.430 1.00 0.00 N ATOM 510 CA ILE A 37 71.880 8.836 -1.825 1.00 0.00 C ATOM 511 C ILE A 37 72.980 8.036 -2.530 1.00 0.00 C ATOM 512 O ILE A 37 72.719 7.038 -3.173 1.00 0.00 O ATOM 513 CB ILE A 37 71.756 8.415 -0.361 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.794 6.888 -0.261 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.431 8.927 0.207 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.786 6.472 1.211 1.00 0.00 C ATOM 0 H ILE A 37 70.116 7.665 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 37 72.145 9.889 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 37 72.585 8.837 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.935 6.458 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.687 6.503 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.342 8.627 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.402 10.014 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.603 8.505 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.813 5.385 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.659 6.890 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.880 6.844 1.689 1.00 0.00 H new ATOM 528 N SER A 38 74.206 8.467 -2.418 1.00 0.00 N ATOM 529 CA SER A 38 75.318 7.732 -3.085 1.00 0.00 C ATOM 530 C SER A 38 75.323 6.266 -2.645 1.00 0.00 C ATOM 531 O SER A 38 75.330 5.962 -1.468 1.00 0.00 O ATOM 532 CB SER A 38 76.593 8.436 -2.621 1.00 0.00 C ATOM 533 OG SER A 38 77.333 8.863 -3.757 1.00 0.00 O ATOM 0 H SER A 38 74.486 9.296 -1.894 1.00 0.00 H new ATOM 0 HA SER A 38 75.223 7.736 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.342 9.291 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.195 7.760 -2.013 1.00 0.00 H new ATOM 0 HG SER A 38 78.151 9.316 -3.463 1.00 0.00 H new ATOM 539 N THR A 39 75.318 5.356 -3.580 1.00 0.00 N ATOM 540 CA THR A 39 75.324 3.910 -3.213 1.00 0.00 C ATOM 541 C THR A 39 76.338 3.657 -2.094 1.00 0.00 C ATOM 542 O THR A 39 76.175 2.764 -1.286 1.00 0.00 O ATOM 543 CB THR A 39 75.734 3.179 -4.491 1.00 0.00 C ATOM 544 OG1 THR A 39 76.826 3.859 -5.094 1.00 0.00 O ATOM 545 CG2 THR A 39 74.553 3.144 -5.463 1.00 0.00 C ATOM 0 H THR A 39 75.310 5.550 -4.581 1.00 0.00 H new ATOM 0 HA THR A 39 74.356 3.570 -2.846 1.00 0.00 H new ATOM 0 HB THR A 39 76.031 2.159 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.091 3.390 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.847 2.622 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.716 2.622 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.254 4.163 -5.709 1.00 0.00 H new ATOM 553 N LYS A 40 77.382 4.439 -2.039 1.00 0.00 N ATOM 554 CA LYS A 40 78.403 4.246 -0.969 1.00 0.00 C ATOM 555 C LYS A 40 77.804 4.599 0.395 1.00 0.00 C ATOM 556 O LYS A 40 78.277 4.161 1.425 1.00 0.00 O ATOM 557 CB LYS A 40 79.535 5.211 -1.325 1.00 0.00 C ATOM 558 CG LYS A 40 80.870 4.462 -1.308 1.00 0.00 C ATOM 559 CD LYS A 40 81.656 4.791 -2.580 1.00 0.00 C ATOM 560 CE LYS A 40 80.998 4.104 -3.781 1.00 0.00 C ATOM 561 NZ LYS A 40 81.858 2.923 -4.067 1.00 0.00 N ATOM 0 H LYS A 40 77.572 5.203 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 40 78.752 3.215 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.362 5.644 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.560 6.037 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.447 4.745 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.696 3.388 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.683 5.870 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.689 4.458 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 79.976 3.802 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.948 4.773 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 81.471 2.400 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.823 3.242 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.881 2.301 -3.234 1.00 0.00 H new ATOM 575 N GLU A 41 76.765 5.387 0.404 1.00 0.00 N ATOM 576 CA GLU A 41 76.127 5.772 1.696 1.00 0.00 C ATOM 577 C GLU A 41 74.881 4.915 1.939 1.00 0.00 C ATOM 578 O GLU A 41 74.095 5.181 2.827 1.00 0.00 O ATOM 579 CB GLU A 41 75.744 7.243 1.521 1.00 0.00 C ATOM 580 CG GLU A 41 75.308 7.825 2.867 1.00 0.00 C ATOM 581 CD GLU A 41 76.536 8.027 3.758 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.638 7.908 3.250 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.352 8.295 4.934 1.00 0.00 O ATOM 0 H GLU A 41 76.329 5.782 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 41 76.788 5.623 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.591 7.805 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.936 7.335 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.795 8.775 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.599 7.154 3.353 1.00 0.00 H new ATOM 590 N LEU A 42 74.694 3.889 1.154 1.00 0.00 N ATOM 591 CA LEU A 42 73.500 3.015 1.336 1.00 0.00 C ATOM 592 C LEU A 42 73.643 2.179 2.611 1.00 0.00 C ATOM 593 O LEU A 42 72.674 1.872 3.275 1.00 0.00 O ATOM 594 CB LEU A 42 73.479 2.112 0.102 1.00 0.00 C ATOM 595 CG LEU A 42 72.064 1.571 -0.112 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.610 1.878 -1.539 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.062 0.057 0.108 1.00 0.00 C ATOM 0 H LEU A 42 75.317 3.618 0.394 1.00 0.00 H new ATOM 0 HA LEU A 42 72.580 3.590 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.802 2.671 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.179 1.287 0.230 1.00 0.00 H new ATOM 0 HG LEU A 42 71.382 2.044 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.602 1.492 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.614 2.956 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.290 1.404 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.055 -0.331 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.743 -0.414 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.386 -0.163 1.125 1.00 0.00 H new ATOM 609 N GLY A 43 74.845 1.808 2.958 1.00 0.00 N ATOM 610 CA GLY A 43 75.048 0.993 4.189 1.00 0.00 C ATOM 611 C GLY A 43 74.609 1.799 5.412 1.00 0.00 C ATOM 612 O GLY A 43 74.040 1.269 6.346 1.00 0.00 O ATOM 0 H GLY A 43 75.695 2.034 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.474 0.068 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.097 0.712 4.283 1.00 0.00 H new ATOM 616 N THR A 44 74.869 3.078 5.415 1.00 0.00 N ATOM 617 CA THR A 44 74.467 3.920 6.578 1.00 0.00 C ATOM 618 C THR A 44 72.949 3.851 6.779 1.00 0.00 C ATOM 619 O THR A 44 72.468 3.454 7.820 1.00 0.00 O ATOM 620 CB THR A 44 74.899 5.341 6.205 1.00 0.00 C ATOM 621 OG1 THR A 44 76.300 5.473 6.398 1.00 0.00 O ATOM 622 CG2 THR A 44 74.163 6.352 7.086 1.00 0.00 C ATOM 0 H THR A 44 75.343 3.577 4.662 1.00 0.00 H new ATOM 0 HA THR A 44 74.925 3.588 7.510 1.00 0.00 H new ATOM 0 HB THR A 44 74.655 5.531 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.605 6.320 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.473 7.362 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.088 6.250 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.403 6.165 8.133 1.00 0.00 H new ATOM 630 N VAL A 45 72.194 4.238 5.788 1.00 0.00 N ATOM 631 CA VAL A 45 70.710 4.198 5.921 1.00 0.00 C ATOM 632 C VAL A 45 70.267 2.874 6.551 1.00 0.00 C ATOM 633 O VAL A 45 69.526 2.850 7.514 1.00 0.00 O ATOM 634 CB VAL A 45 70.186 4.310 4.489 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.705 3.931 4.454 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.355 5.748 3.996 1.00 0.00 C ATOM 0 H VAL A 45 72.540 4.580 4.892 1.00 0.00 H new ATOM 0 HA VAL A 45 70.331 4.994 6.561 1.00 0.00 H new ATOM 0 HB VAL A 45 70.748 3.635 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.333 4.011 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.583 2.906 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.142 4.605 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.982 5.829 2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.793 6.423 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.411 6.019 4.019 1.00 0.00 H new ATOM 646 N MET A 46 70.714 1.772 6.014 1.00 0.00 N ATOM 647 CA MET A 46 70.318 0.449 6.579 1.00 0.00 C ATOM 648 C MET A 46 70.526 0.430 8.097 1.00 0.00 C ATOM 649 O MET A 46 69.636 0.091 8.851 1.00 0.00 O ATOM 650 CB MET A 46 71.244 -0.561 5.901 1.00 0.00 C ATOM 651 CG MET A 46 70.832 -0.731 4.438 1.00 0.00 C ATOM 652 SD MET A 46 69.371 -1.794 4.343 1.00 0.00 S ATOM 653 CE MET A 46 70.095 -3.083 3.299 1.00 0.00 C ATOM 0 H MET A 46 71.337 1.730 5.208 1.00 0.00 H new ATOM 0 HA MET A 46 69.266 0.226 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.278 -0.220 5.961 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.194 -1.520 6.417 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.617 0.241 3.994 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.651 -1.168 3.867 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.310 -3.561 2.713 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.829 -2.638 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.584 -3.828 3.927 1.00 0.00 H new ATOM 663 N ARG A 47 71.696 0.786 8.552 1.00 0.00 N ATOM 664 CA ARG A 47 71.961 0.780 10.021 1.00 0.00 C ATOM 665 C ARG A 47 71.287 1.981 10.691 1.00 0.00 C ATOM 666 O ARG A 47 71.010 1.965 11.874 1.00 0.00 O ATOM 667 CB ARG A 47 73.481 0.879 10.149 1.00 0.00 C ATOM 668 CG ARG A 47 74.102 -0.504 9.938 1.00 0.00 C ATOM 669 CD ARG A 47 75.624 -0.373 9.842 1.00 0.00 C ATOM 670 NE ARG A 47 76.045 -1.464 8.920 1.00 0.00 N ATOM 671 CZ ARG A 47 77.244 -1.457 8.405 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.692 -0.388 7.809 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.995 -2.521 8.488 1.00 0.00 N ATOM 0 H ARG A 47 72.481 1.081 7.971 1.00 0.00 H new ATOM 0 HA ARG A 47 71.567 -0.113 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.874 1.582 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.750 1.264 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.835 -1.164 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.707 -0.956 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.913 0.604 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.092 -0.480 10.820 1.00 0.00 H new ATOM 0 HE ARG A 47 75.396 -2.217 8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.105 0.444 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.629 -0.383 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.645 -3.357 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.932 -2.516 8.086 1.00 0.00 H new ATOM 687 N MET A 48 71.023 3.020 9.949 1.00 0.00 N ATOM 688 CA MET A 48 70.367 4.216 10.553 1.00 0.00 C ATOM 689 C MET A 48 68.884 3.933 10.802 1.00 0.00 C ATOM 690 O MET A 48 68.201 4.685 11.468 1.00 0.00 O ATOM 691 CB MET A 48 70.537 5.328 9.517 1.00 0.00 C ATOM 692 CG MET A 48 71.144 6.561 10.190 1.00 0.00 C ATOM 693 SD MET A 48 70.033 7.143 11.495 1.00 0.00 S ATOM 694 CE MET A 48 71.290 7.938 12.527 1.00 0.00 C ATOM 0 H MET A 48 71.232 3.094 8.953 1.00 0.00 H new ATOM 0 HA MET A 48 70.804 4.487 11.514 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.181 4.989 8.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.573 5.579 9.075 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.119 6.316 10.610 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.303 7.349 9.454 1.00 0.00 H new ATOM 0 HE1 MET A 48 70.816 8.374 13.407 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.025 7.197 12.840 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.786 8.723 11.956 1.00 0.00 H new ATOM 704 N LEU A 49 68.382 2.851 10.272 1.00 0.00 N ATOM 705 CA LEU A 49 66.945 2.516 10.480 1.00 0.00 C ATOM 706 C LEU A 49 66.809 1.407 11.526 1.00 0.00 C ATOM 707 O LEU A 49 66.172 1.578 12.546 1.00 0.00 O ATOM 708 CB LEU A 49 66.451 2.032 9.116 1.00 0.00 C ATOM 709 CG LEU A 49 66.349 3.220 8.159 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.460 2.724 6.716 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.002 3.918 8.355 1.00 0.00 C ATOM 0 H LEU A 49 68.905 2.185 9.704 1.00 0.00 H new ATOM 0 HA LEU A 49 66.369 3.367 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.135 1.285 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.479 1.550 9.220 1.00 0.00 H new ATOM 0 HG LEU A 49 67.157 3.923 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.387 3.571 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.419 2.226 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.653 2.021 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.929 4.765 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.195 3.215 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.922 4.272 9.383 1.00 0.00 H new ATOM 723 N GLY A 50 67.408 0.272 11.285 1.00 0.00 N ATOM 724 CA GLY A 50 67.313 -0.843 12.272 1.00 0.00 C ATOM 725 C GLY A 50 67.785 -2.153 11.635 1.00 0.00 C ATOM 726 O GLY A 50 67.283 -3.217 11.942 1.00 0.00 O ATOM 0 H GLY A 50 67.958 0.069 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.921 -0.616 13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.284 -0.947 12.616 1.00 0.00 H new ATOM 730 N GLN A 51 68.748 -2.091 10.755 1.00 0.00 N ATOM 731 CA GLN A 51 69.247 -3.341 10.109 1.00 0.00 C ATOM 732 C GLN A 51 70.775 -3.401 10.186 1.00 0.00 C ATOM 733 O GLN A 51 71.404 -2.611 10.862 1.00 0.00 O ATOM 734 CB GLN A 51 68.787 -3.251 8.653 1.00 0.00 C ATOM 735 CG GLN A 51 67.297 -2.908 8.609 1.00 0.00 C ATOM 736 CD GLN A 51 67.123 -1.422 8.294 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.588 -0.680 9.092 1.00 0.00 O ATOM 738 NE2 GLN A 51 67.553 -0.955 7.153 1.00 0.00 N ATOM 0 H GLN A 51 69.210 -1.232 10.456 1.00 0.00 H new ATOM 0 HA GLN A 51 68.867 -4.237 10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.362 -2.490 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.968 -4.198 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.797 -3.512 7.852 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.830 -3.145 9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 51 68.002 -1.579 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.440 0.034 6.931 1.00 0.00 H new ATOM 747 N ASN A 52 71.377 -4.332 9.496 1.00 0.00 N ATOM 748 CA ASN A 52 72.863 -4.440 9.530 1.00 0.00 C ATOM 749 C ASN A 52 73.365 -5.232 8.320 1.00 0.00 C ATOM 750 O ASN A 52 73.687 -6.398 8.432 1.00 0.00 O ATOM 751 CB ASN A 52 73.176 -5.187 10.828 1.00 0.00 C ATOM 752 CG ASN A 52 74.677 -5.109 11.113 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.220 -4.035 11.279 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.375 -6.210 11.179 1.00 0.00 N ATOM 0 H ASN A 52 70.904 -5.021 8.911 1.00 0.00 H new ATOM 0 HA ASN A 52 73.349 -3.465 9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.615 -4.752 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.865 -6.228 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.376 -6.168 11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.919 -7.112 11.040 1.00 0.00 H new ATOM 761 N PRO A 53 73.416 -4.566 7.199 1.00 0.00 N ATOM 762 CA PRO A 53 73.885 -5.213 5.950 1.00 0.00 C ATOM 763 C PRO A 53 75.403 -5.417 5.999 1.00 0.00 C ATOM 764 O PRO A 53 76.164 -4.471 6.048 1.00 0.00 O ATOM 765 CB PRO A 53 73.506 -4.211 4.863 1.00 0.00 C ATOM 766 CG PRO A 53 73.439 -2.889 5.560 1.00 0.00 C ATOM 767 CD PRO A 53 73.047 -3.162 6.990 1.00 0.00 C ATOM 0 HA PRO A 53 73.448 -6.198 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.246 -4.198 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.549 -4.466 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.402 -2.380 5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.711 -2.236 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.574 -2.504 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.981 -3.002 7.149 1.00 0.00 H new ATOM 775 N THR A 54 75.848 -6.644 5.987 1.00 0.00 N ATOM 776 CA THR A 54 77.316 -6.903 6.034 1.00 0.00 C ATOM 777 C THR A 54 78.007 -6.232 4.845 1.00 0.00 C ATOM 778 O THR A 54 77.490 -6.216 3.745 1.00 0.00 O ATOM 779 CB THR A 54 77.450 -8.423 5.946 1.00 0.00 C ATOM 780 OG1 THR A 54 76.831 -8.882 4.752 1.00 0.00 O ATOM 781 CG2 THR A 54 76.772 -9.070 7.154 1.00 0.00 C ATOM 0 H THR A 54 75.260 -7.477 5.947 1.00 0.00 H new ATOM 0 HA THR A 54 77.780 -6.505 6.936 1.00 0.00 H new ATOM 0 HB THR A 54 78.506 -8.694 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.630 -9.838 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.869 -10.154 7.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.247 -8.718 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.716 -8.800 7.166 1.00 0.00 H new ATOM 789 N LYS A 55 79.169 -5.674 5.054 1.00 0.00 N ATOM 790 CA LYS A 55 79.881 -5.005 3.928 1.00 0.00 C ATOM 791 C LYS A 55 79.795 -5.866 2.668 1.00 0.00 C ATOM 792 O LYS A 55 79.528 -5.378 1.587 1.00 0.00 O ATOM 793 CB LYS A 55 81.332 -4.869 4.388 1.00 0.00 C ATOM 794 CG LYS A 55 81.991 -3.709 3.640 1.00 0.00 C ATOM 795 CD LYS A 55 83.495 -3.964 3.516 1.00 0.00 C ATOM 796 CE LYS A 55 84.243 -3.128 4.556 1.00 0.00 C ATOM 797 NZ LYS A 55 84.617 -4.094 5.627 1.00 0.00 N ATOM 0 H LYS A 55 79.654 -5.652 5.951 1.00 0.00 H new ATOM 0 HA LYS A 55 79.445 -4.036 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.370 -4.692 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.875 -5.795 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.547 -3.603 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.813 -2.774 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.708 -5.023 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.837 -3.707 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.125 -2.656 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.614 -2.329 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.135 -3.596 6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.756 -4.522 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.221 -4.840 5.226 1.00 0.00 H new ATOM 811 N GLU A 56 80.012 -7.147 2.795 1.00 0.00 N ATOM 812 CA GLU A 56 79.933 -8.034 1.603 1.00 0.00 C ATOM 813 C GLU A 56 78.556 -7.901 0.950 1.00 0.00 C ATOM 814 O GLU A 56 78.415 -7.990 -0.254 1.00 0.00 O ATOM 815 CB GLU A 56 80.139 -9.450 2.143 1.00 0.00 C ATOM 816 CG GLU A 56 81.581 -9.890 1.886 1.00 0.00 C ATOM 817 CD GLU A 56 82.301 -10.090 3.221 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.372 -9.138 3.981 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.769 -11.190 3.460 1.00 0.00 O ATOM 0 H GLU A 56 80.240 -7.616 3.672 1.00 0.00 H new ATOM 0 HA GLU A 56 80.675 -7.781 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.924 -9.478 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.446 -10.139 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.593 -10.817 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.100 -9.140 1.290 1.00 0.00 H new ATOM 826 N GLU A 57 77.539 -7.680 1.738 1.00 0.00 N ATOM 827 CA GLU A 57 76.170 -7.532 1.168 1.00 0.00 C ATOM 828 C GLU A 57 76.034 -6.168 0.487 1.00 0.00 C ATOM 829 O GLU A 57 75.520 -6.057 -0.609 1.00 0.00 O ATOM 830 CB GLU A 57 75.226 -7.631 2.367 1.00 0.00 C ATOM 831 CG GLU A 57 74.883 -9.100 2.628 1.00 0.00 C ATOM 832 CD GLU A 57 73.417 -9.352 2.272 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.898 -8.628 1.438 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.839 -10.265 2.837 1.00 0.00 O ATOM 0 H GLU A 57 77.597 -7.596 2.753 1.00 0.00 H new ATOM 0 HA GLU A 57 75.949 -8.290 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.694 -7.194 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.316 -7.063 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.529 -9.746 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 57 75.062 -9.346 3.675 1.00 0.00 H new ATOM 841 N LEU A 58 76.496 -5.127 1.127 1.00 0.00 N ATOM 842 CA LEU A 58 76.399 -3.771 0.513 1.00 0.00 C ATOM 843 C LEU A 58 77.061 -3.778 -0.868 1.00 0.00 C ATOM 844 O LEU A 58 76.476 -3.366 -1.849 1.00 0.00 O ATOM 845 CB LEU A 58 77.153 -2.844 1.468 1.00 0.00 C ATOM 846 CG LEU A 58 76.418 -2.778 2.808 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.980 -1.625 3.640 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.925 -2.545 2.560 1.00 0.00 C ATOM 0 H LEU A 58 76.936 -5.157 2.047 1.00 0.00 H new ATOM 0 HA LEU A 58 75.367 -3.450 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.170 -3.208 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.232 -1.846 1.036 1.00 0.00 H new ATOM 0 HG LEU A 58 76.556 -3.717 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.457 -1.577 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.043 -1.788 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.841 -0.687 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.401 -2.498 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.787 -1.606 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.523 -3.365 1.965 1.00 0.00 H new ATOM 860 N ASP A 59 78.275 -4.249 -0.951 1.00 0.00 N ATOM 861 CA ASP A 59 78.969 -4.288 -2.268 1.00 0.00 C ATOM 862 C ASP A 59 78.088 -5.001 -3.295 1.00 0.00 C ATOM 863 O ASP A 59 77.887 -4.525 -4.395 1.00 0.00 O ATOM 864 CB ASP A 59 80.252 -5.082 -2.017 1.00 0.00 C ATOM 865 CG ASP A 59 81.419 -4.411 -2.743 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.214 -3.948 -3.852 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.499 -4.371 -2.176 1.00 0.00 O ATOM 0 H ASP A 59 78.816 -4.608 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 59 79.180 -3.293 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.457 -5.134 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.132 -6.107 -2.368 1.00 0.00 H new ATOM 872 N ALA A 60 77.556 -6.139 -2.942 1.00 0.00 N ATOM 873 CA ALA A 60 76.682 -6.881 -3.893 1.00 0.00 C ATOM 874 C ALA A 60 75.420 -6.066 -4.184 1.00 0.00 C ATOM 875 O ALA A 60 74.967 -5.988 -5.308 1.00 0.00 O ATOM 876 CB ALA A 60 76.328 -8.183 -3.172 1.00 0.00 C ATOM 0 H ALA A 60 77.689 -6.587 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 60 77.170 -7.068 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.683 -8.788 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.241 -8.736 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.807 -7.954 -2.242 1.00 0.00 H new ATOM 882 N ILE A 61 74.853 -5.453 -3.180 1.00 0.00 N ATOM 883 CA ILE A 61 73.626 -4.638 -3.403 1.00 0.00 C ATOM 884 C ILE A 61 73.970 -3.396 -4.228 1.00 0.00 C ATOM 885 O ILE A 61 73.309 -3.079 -5.197 1.00 0.00 O ATOM 886 CB ILE A 61 73.152 -4.238 -2.007 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.548 -5.455 -1.305 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.092 -3.141 -2.122 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.431 -5.174 0.194 1.00 0.00 C ATOM 0 H ILE A 61 75.187 -5.482 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 61 72.858 -5.186 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 61 73.999 -3.867 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.566 -5.678 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.172 -6.332 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.754 -2.856 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.520 -2.272 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.246 -3.512 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.000 -6.041 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.420 -4.972 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.789 -4.308 0.353 1.00 0.00 H new ATOM 901 N ILE A 62 75.004 -2.693 -3.854 1.00 0.00 N ATOM 902 CA ILE A 62 75.392 -1.477 -4.623 1.00 0.00 C ATOM 903 C ILE A 62 75.522 -1.824 -6.106 1.00 0.00 C ATOM 904 O ILE A 62 74.755 -1.368 -6.931 1.00 0.00 O ATOM 905 CB ILE A 62 76.744 -1.057 -4.048 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.534 -0.380 -2.692 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.425 -0.078 -5.005 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.844 -0.400 -1.901 1.00 0.00 C ATOM 0 H ILE A 62 75.596 -2.907 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 62 74.654 -0.678 -4.542 1.00 0.00 H new ATOM 0 HB ILE A 62 77.373 -1.938 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.199 0.647 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.752 -0.895 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.389 0.221 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.576 -0.559 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.796 0.803 -5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.693 0.082 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.160 -1.432 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.613 0.135 -2.458 1.00 0.00 H new ATOM 920 N GLU A 63 76.485 -2.635 -6.451 1.00 0.00 N ATOM 921 CA GLU A 63 76.657 -3.019 -7.880 1.00 0.00 C ATOM 922 C GLU A 63 75.303 -3.408 -8.477 1.00 0.00 C ATOM 923 O GLU A 63 75.017 -3.138 -9.626 1.00 0.00 O ATOM 924 CB GLU A 63 77.601 -4.222 -7.854 1.00 0.00 C ATOM 925 CG GLU A 63 78.821 -3.935 -8.730 1.00 0.00 C ATOM 926 CD GLU A 63 78.420 -4.004 -10.204 1.00 0.00 C ATOM 927 OE1 GLU A 63 77.230 -4.051 -10.472 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.308 -4.010 -11.041 1.00 0.00 O ATOM 0 H GLU A 63 77.159 -3.047 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 63 77.055 -2.206 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.916 -4.428 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.083 -5.111 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.224 -2.949 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.609 -4.659 -8.523 1.00 0.00 H new ATOM 935 N GLU A 64 74.465 -4.036 -7.698 1.00 0.00 N ATOM 936 CA GLU A 64 73.124 -4.437 -8.210 1.00 0.00 C ATOM 937 C GLU A 64 72.266 -3.191 -8.448 1.00 0.00 C ATOM 938 O GLU A 64 71.662 -3.028 -9.489 1.00 0.00 O ATOM 939 CB GLU A 64 72.529 -5.315 -7.101 1.00 0.00 C ATOM 940 CG GLU A 64 71.000 -5.316 -7.192 1.00 0.00 C ATOM 941 CD GLU A 64 70.456 -6.642 -6.658 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.260 -7.493 -6.312 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.246 -6.784 -6.602 1.00 0.00 O ATOM 0 H GLU A 64 74.652 -4.289 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 64 73.174 -4.969 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.907 -6.333 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.843 -4.944 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.591 -4.485 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.687 -5.173 -8.226 1.00 0.00 H new ATOM 950 N VAL A 65 72.210 -2.309 -7.487 1.00 0.00 N ATOM 951 CA VAL A 65 71.395 -1.073 -7.653 1.00 0.00 C ATOM 952 C VAL A 65 72.212 0.005 -8.371 1.00 0.00 C ATOM 953 O VAL A 65 71.727 1.085 -8.646 1.00 0.00 O ATOM 954 CB VAL A 65 71.056 -0.631 -6.230 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.529 -1.826 -5.434 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.315 -0.084 -5.554 1.00 0.00 C ATOM 0 H VAL A 65 72.694 -2.392 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 65 70.500 -1.243 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 65 70.293 0.146 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.288 -1.509 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.632 -2.217 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.291 -2.605 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.075 0.232 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.078 -0.862 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.691 0.769 -6.120 1.00 0.00 H new ATOM 966 N ASP A 66 73.449 -0.279 -8.675 1.00 0.00 N ATOM 967 CA ASP A 66 74.297 0.729 -9.375 1.00 0.00 C ATOM 968 C ASP A 66 73.923 0.796 -10.857 1.00 0.00 C ATOM 969 O ASP A 66 74.509 1.536 -11.622 1.00 0.00 O ATOM 970 CB ASP A 66 75.727 0.221 -9.208 1.00 0.00 C ATOM 971 CG ASP A 66 76.694 1.173 -9.913 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.460 2.369 -9.863 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.654 0.690 -10.492 1.00 0.00 O ATOM 0 H ASP A 66 73.910 -1.165 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 66 74.168 1.732 -8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.977 0.150 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.819 -0.782 -9.625 1.00 0.00 H new ATOM 1030 N THR A 72 73.701 5.705 -7.680 1.00 0.00 N ATOM 1031 CA THR A 72 72.918 5.968 -6.439 1.00 0.00 C ATOM 1032 C THR A 72 71.768 4.964 -6.315 1.00 0.00 C ATOM 1033 O THR A 72 71.755 3.937 -6.965 1.00 0.00 O ATOM 1034 CB THR A 72 72.374 7.388 -6.609 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.783 7.516 -7.894 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.517 8.394 -6.469 1.00 0.00 C ATOM 0 HA THR A 72 73.524 5.868 -5.539 1.00 0.00 H new ATOM 0 HB THR A 72 71.624 7.584 -5.843 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.357 7.086 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.129 9.405 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.970 8.295 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.268 8.200 -7.234 1.00 0.00 H new ATOM 1044 N ILE A 73 70.804 5.251 -5.485 1.00 0.00 N ATOM 1045 CA ILE A 73 69.656 4.314 -5.321 1.00 0.00 C ATOM 1046 C ILE A 73 68.335 5.088 -5.345 1.00 0.00 C ATOM 1047 O ILE A 73 68.261 6.219 -4.908 1.00 0.00 O ATOM 1048 CB ILE A 73 69.871 3.663 -3.954 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.760 2.644 -3.694 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.840 4.738 -2.866 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.024 1.380 -4.514 1.00 0.00 C ATOM 0 H ILE A 73 70.761 6.094 -4.913 1.00 0.00 H new ATOM 0 HA ILE A 73 69.606 3.576 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 73 70.838 3.159 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.718 2.399 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.793 3.069 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.993 4.274 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.631 5.465 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.874 5.242 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.232 0.654 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.044 1.632 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.984 0.952 -4.224 1.00 0.00 H new ATOM 1063 N ASP A 74 67.292 4.489 -5.851 1.00 0.00 N ATOM 1064 CA ASP A 74 65.979 5.193 -5.900 1.00 0.00 C ATOM 1065 C ASP A 74 65.120 4.787 -4.701 1.00 0.00 C ATOM 1066 O ASP A 74 64.940 3.617 -4.422 1.00 0.00 O ATOM 1067 CB ASP A 74 65.330 4.734 -7.205 1.00 0.00 C ATOM 1068 CG ASP A 74 66.227 5.117 -8.384 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.336 4.614 -8.447 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.789 5.906 -9.205 1.00 0.00 O ATOM 0 H ASP A 74 67.292 3.543 -6.232 1.00 0.00 H new ATOM 0 HA ASP A 74 66.089 6.277 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.176 3.655 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.348 5.194 -7.317 1.00 0.00 H new ATOM 1075 N PHE A 75 64.588 5.741 -3.986 1.00 0.00 N ATOM 1076 CA PHE A 75 63.743 5.404 -2.804 1.00 0.00 C ATOM 1077 C PHE A 75 62.730 4.316 -3.171 1.00 0.00 C ATOM 1078 O PHE A 75 62.604 3.318 -2.490 1.00 0.00 O ATOM 1079 CB PHE A 75 63.026 6.704 -2.441 1.00 0.00 C ATOM 1080 CG PHE A 75 62.415 6.571 -1.067 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.151 5.987 -0.918 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.111 7.027 0.058 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.584 5.861 0.357 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.545 6.902 1.332 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.281 6.318 1.481 1.00 0.00 C ATOM 0 H PHE A 75 64.702 6.738 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 75 64.334 5.021 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.728 7.537 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.252 6.923 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.613 5.634 -1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.086 7.476 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.609 5.411 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.083 7.256 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.844 6.220 2.464 1.00 0.00 H new ATOM 1095 N GLU A 76 62.009 4.498 -4.244 1.00 0.00 N ATOM 1096 CA GLU A 76 61.009 3.470 -4.650 1.00 0.00 C ATOM 1097 C GLU A 76 61.679 2.097 -4.743 1.00 0.00 C ATOM 1098 O GLU A 76 61.153 1.106 -4.278 1.00 0.00 O ATOM 1099 CB GLU A 76 60.512 3.920 -6.024 1.00 0.00 C ATOM 1100 CG GLU A 76 61.702 4.063 -6.975 1.00 0.00 C ATOM 1101 CD GLU A 76 61.236 4.706 -8.283 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.108 4.455 -8.674 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.014 5.439 -8.869 1.00 0.00 O ATOM 0 H GLU A 76 62.069 5.312 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 76 60.192 3.379 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.801 3.195 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.985 4.870 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.478 4.673 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.141 3.086 -7.174 1.00 0.00 H new ATOM 1110 N GLU A 77 62.842 2.035 -5.334 1.00 0.00 N ATOM 1111 CA GLU A 77 63.549 0.728 -5.448 1.00 0.00 C ATOM 1112 C GLU A 77 64.244 0.396 -4.126 1.00 0.00 C ATOM 1113 O GLU A 77 64.174 -0.714 -3.638 1.00 0.00 O ATOM 1114 CB GLU A 77 64.579 0.928 -6.560 1.00 0.00 C ATOM 1115 CG GLU A 77 65.481 -0.304 -6.649 1.00 0.00 C ATOM 1116 CD GLU A 77 66.553 -0.077 -7.717 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.261 0.603 -8.686 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.648 -0.588 -7.546 1.00 0.00 O ATOM 0 H GLU A 77 63.332 2.831 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 77 62.869 -0.095 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.074 1.092 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.178 1.816 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 77 65.949 -0.495 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.888 -1.185 -6.895 1.00 0.00 H new ATOM 1125 N PHE A 78 64.908 1.354 -3.540 1.00 0.00 N ATOM 1126 CA PHE A 78 65.600 1.098 -2.246 1.00 0.00 C ATOM 1127 C PHE A 78 64.639 0.410 -1.272 1.00 0.00 C ATOM 1128 O PHE A 78 65.040 -0.385 -0.445 1.00 0.00 O ATOM 1129 CB PHE A 78 66.000 2.485 -1.733 1.00 0.00 C ATOM 1130 CG PHE A 78 66.250 2.431 -0.244 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.330 1.696 0.260 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.400 3.115 0.633 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.559 1.646 1.640 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.630 3.066 2.012 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.709 2.331 2.516 1.00 0.00 C ATOM 0 H PHE A 78 65.001 2.303 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 78 66.465 0.444 -2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.897 2.828 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.211 3.205 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.986 1.168 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.566 3.681 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.392 1.079 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 78 64.975 3.595 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.886 2.292 3.581 1.00 0.00 H new ATOM 1145 N LEU A 79 63.371 0.708 -1.367 1.00 0.00 N ATOM 1146 CA LEU A 79 62.387 0.069 -0.449 1.00 0.00 C ATOM 1147 C LEU A 79 62.683 -1.427 -0.328 1.00 0.00 C ATOM 1148 O LEU A 79 62.370 -2.054 0.663 1.00 0.00 O ATOM 1149 CB LEU A 79 61.026 0.297 -1.108 1.00 0.00 C ATOM 1150 CG LEU A 79 60.362 1.532 -0.497 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.363 2.122 -1.494 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.629 1.133 0.785 1.00 0.00 C ATOM 0 H LEU A 79 62.975 1.365 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 79 62.424 0.485 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.149 0.432 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.391 -0.578 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 79 61.123 2.277 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 79 58.890 3.002 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 79 59.885 2.406 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.601 1.379 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.155 2.012 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 79 58.868 0.388 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.341 0.714 1.496 1.00 0.00 H new ATOM 1164 N VAL A 80 63.285 -2.001 -1.333 1.00 0.00 N ATOM 1165 CA VAL A 80 63.605 -3.455 -1.279 1.00 0.00 C ATOM 1166 C VAL A 80 64.807 -3.693 -0.361 1.00 0.00 C ATOM 1167 O VAL A 80 64.862 -4.660 0.371 1.00 0.00 O ATOM 1168 CB VAL A 80 63.939 -3.842 -2.721 1.00 0.00 C ATOM 1169 CG1 VAL A 80 62.888 -3.259 -3.667 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.318 -3.289 -3.091 1.00 0.00 C ATOM 0 H VAL A 80 63.569 -1.526 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 80 62.781 -4.048 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 80 63.944 -4.928 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.129 -3.536 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 61.905 -3.652 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.880 -2.173 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.557 -3.564 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.311 -2.203 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.069 -3.706 -2.420 1.00 0.00 H new ATOM 1180 N MET A 81 65.772 -2.813 -0.391 1.00 0.00 N ATOM 1181 CA MET A 81 66.967 -2.989 0.482 1.00 0.00 C ATOM 1182 C MET A 81 66.559 -2.888 1.952 1.00 0.00 C ATOM 1183 O MET A 81 67.222 -3.406 2.829 1.00 0.00 O ATOM 1184 CB MET A 81 67.908 -1.844 0.106 1.00 0.00 C ATOM 1185 CG MET A 81 68.919 -2.333 -0.933 1.00 0.00 C ATOM 1186 SD MET A 81 68.138 -2.374 -2.564 1.00 0.00 S ATOM 1187 CE MET A 81 68.554 -4.088 -2.969 1.00 0.00 C ATOM 0 H MET A 81 65.784 -1.981 -0.982 1.00 0.00 H new ATOM 0 HA MET A 81 67.440 -3.962 0.347 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.337 -1.006 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.428 -1.481 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.786 -1.673 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.279 -3.326 -0.666 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.679 -4.586 -3.387 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.363 -4.103 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.870 -4.609 -2.065 1.00 0.00 H new ATOM 1197 N MET A 82 65.470 -2.225 2.227 1.00 0.00 N ATOM 1198 CA MET A 82 65.017 -2.090 3.640 1.00 0.00 C ATOM 1199 C MET A 82 64.437 -3.416 4.138 1.00 0.00 C ATOM 1200 O MET A 82 64.777 -3.890 5.201 1.00 0.00 O ATOM 1201 CB MET A 82 63.938 -1.010 3.607 1.00 0.00 C ATOM 1202 CG MET A 82 64.537 0.290 3.068 1.00 0.00 C ATOM 1203 SD MET A 82 63.860 1.695 3.986 1.00 0.00 S ATOM 1204 CE MET A 82 62.745 2.295 2.693 1.00 0.00 C ATOM 0 H MET A 82 64.874 -1.771 1.535 1.00 0.00 H new ATOM 0 HA MET A 82 65.833 -1.829 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.108 -1.329 2.977 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.536 -0.851 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.623 0.269 3.163 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.312 0.394 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 82 62.615 3.372 2.796 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.170 2.072 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 82 61.778 1.802 2.789 1.00 0.00 H new ATOM 1214 N VAL A 83 63.564 -4.019 3.378 1.00 0.00 N ATOM 1215 CA VAL A 83 62.966 -5.314 3.815 1.00 0.00 C ATOM 1216 C VAL A 83 63.924 -6.469 3.506 1.00 0.00 C ATOM 1217 O VAL A 83 64.131 -7.350 4.315 1.00 0.00 O ATOM 1218 CB VAL A 83 61.669 -5.456 3.009 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.944 -4.109 2.957 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.991 -5.913 1.583 1.00 0.00 C ATOM 0 H VAL A 83 63.239 -3.673 2.475 1.00 0.00 H new ATOM 0 HA VAL A 83 62.776 -5.337 4.888 1.00 0.00 H new ATOM 0 HB VAL A 83 61.030 -6.196 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.023 -4.213 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.706 -3.785 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.586 -3.368 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.066 -6.012 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.635 -5.177 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.501 -6.876 1.616 1.00 0.00 H new ATOM 1230 N ARG A 84 64.509 -6.468 2.339 1.00 0.00 N ATOM 1231 CA ARG A 84 65.451 -7.565 1.978 1.00 0.00 C ATOM 1232 C ARG A 84 66.472 -7.771 3.099 1.00 0.00 C ATOM 1233 O ARG A 84 66.780 -8.886 3.473 1.00 0.00 O ATOM 1234 CB ARG A 84 66.138 -7.090 0.697 1.00 0.00 C ATOM 1235 CG ARG A 84 65.173 -7.236 -0.483 1.00 0.00 C ATOM 1236 CD ARG A 84 65.905 -6.905 -1.786 1.00 0.00 C ATOM 1237 NE ARG A 84 66.601 -8.164 -2.166 1.00 0.00 N ATOM 1238 CZ ARG A 84 67.501 -8.152 -3.111 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.546 -7.159 -3.957 1.00 0.00 N ATOM 1240 NH2 ARG A 84 68.356 -9.134 -3.212 1.00 0.00 N ATOM 0 H ARG A 84 64.375 -5.756 1.621 1.00 0.00 H new ATOM 0 HA ARG A 84 64.944 -8.519 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.447 -6.050 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 84 67.040 -7.674 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.781 -8.252 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.320 -6.570 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.207 -6.590 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.614 -6.089 -1.644 1.00 0.00 H new ATOM 0 HE ARG A 84 66.375 -9.036 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 84 66.878 -6.392 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 84 68.249 -7.150 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 84 68.321 -9.911 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 84 69.059 -9.124 -3.951 1.00 0.00 H new ATOM 1254 N GLN A 85 66.996 -6.707 3.644 1.00 0.00 N ATOM 1255 CA GLN A 85 67.989 -6.850 4.746 1.00 0.00 C ATOM 1256 C GLN A 85 67.274 -7.201 6.052 1.00 0.00 C ATOM 1257 O GLN A 85 67.588 -8.180 6.699 1.00 0.00 O ATOM 1258 CB GLN A 85 68.667 -5.485 4.859 1.00 0.00 C ATOM 1259 CG GLN A 85 69.696 -5.521 5.990 1.00 0.00 C ATOM 1260 CD GLN A 85 70.603 -6.741 5.817 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.483 -6.745 4.979 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.423 -7.785 6.579 1.00 0.00 N ATOM 0 H GLN A 85 66.780 -5.747 3.375 1.00 0.00 H new ATOM 0 HA GLN A 85 68.710 -7.644 4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.154 -5.229 3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.923 -4.712 5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.292 -4.608 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.190 -5.564 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.684 -7.782 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.021 -8.604 6.471 1.00 0.00 H new ATOM 1271 N MET A 86 66.311 -6.410 6.445 1.00 0.00 N ATOM 1272 CA MET A 86 65.579 -6.706 7.709 1.00 0.00 C ATOM 1273 C MET A 86 64.889 -8.065 7.607 1.00 0.00 C ATOM 1274 O MET A 86 64.663 -8.731 8.598 1.00 0.00 O ATOM 1275 CB MET A 86 64.546 -5.590 7.853 1.00 0.00 C ATOM 1276 CG MET A 86 64.937 -4.687 9.022 1.00 0.00 C ATOM 1277 SD MET A 86 63.612 -4.683 10.254 1.00 0.00 S ATOM 1278 CE MET A 86 63.420 -2.888 10.374 1.00 0.00 C ATOM 0 H MET A 86 66.001 -5.575 5.947 1.00 0.00 H new ATOM 0 HA MET A 86 66.247 -6.747 8.570 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.491 -5.009 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.556 -6.015 8.022 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.865 -5.039 9.472 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.120 -3.673 8.666 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.637 -2.653 11.095 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.360 -2.443 10.701 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.148 -2.485 9.398 1.00 0.00 H new ATOM 1288 N LYS A 87 64.561 -8.492 6.418 1.00 0.00 N ATOM 1289 CA LYS A 87 63.899 -9.815 6.273 1.00 0.00 C ATOM 1290 C LYS A 87 64.683 -10.852 7.075 1.00 0.00 C ATOM 1291 O LYS A 87 64.150 -11.845 7.528 1.00 0.00 O ATOM 1292 CB LYS A 87 63.953 -10.123 4.775 1.00 0.00 C ATOM 1293 CG LYS A 87 62.592 -9.829 4.145 1.00 0.00 C ATOM 1294 CD LYS A 87 61.849 -11.143 3.895 1.00 0.00 C ATOM 1295 CE LYS A 87 60.387 -10.848 3.554 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.599 -11.796 4.390 1.00 0.00 N ATOM 0 H LYS A 87 64.722 -7.985 5.548 1.00 0.00 H new ATOM 0 HA LYS A 87 62.873 -9.825 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.725 -9.520 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.221 -11.168 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.006 -9.187 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.723 -9.289 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.320 -11.690 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.906 -11.779 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.130 -9.813 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.191 -11.000 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.584 -11.655 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.861 -12.773 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.801 -11.623 5.395 1.00 0.00 H new ATOM 1310 N GLU A 88 65.951 -10.610 7.269 1.00 0.00 N ATOM 1311 CA GLU A 88 66.787 -11.556 8.058 1.00 0.00 C ATOM 1312 C GLU A 88 66.935 -11.034 9.490 1.00 0.00 C ATOM 1313 O GLU A 88 66.914 -11.787 10.444 1.00 0.00 O ATOM 1314 CB GLU A 88 68.140 -11.578 7.349 1.00 0.00 C ATOM 1315 CG GLU A 88 69.134 -12.403 8.170 1.00 0.00 C ATOM 1316 CD GLU A 88 70.532 -12.267 7.564 1.00 0.00 C ATOM 1317 OE1 GLU A 88 70.623 -12.165 6.351 1.00 0.00 O ATOM 1318 OE2 GLU A 88 71.487 -12.267 8.322 1.00 0.00 O ATOM 0 H GLU A 88 66.446 -9.792 6.912 1.00 0.00 H new ATOM 0 HA GLU A 88 66.351 -12.553 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.033 -12.005 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.512 -10.562 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.140 -12.061 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.831 -13.450 8.182 1.00 0.00 H new ATOM 1325 N ASP A 89 67.081 -9.744 9.646 1.00 0.00 N ATOM 1326 CA ASP A 89 67.226 -9.166 11.013 1.00 0.00 C ATOM 1327 C ASP A 89 65.875 -9.174 11.731 1.00 0.00 C ATOM 1328 O ASP A 89 65.805 -9.232 12.943 1.00 0.00 O ATOM 1329 CB ASP A 89 67.705 -7.731 10.790 1.00 0.00 C ATOM 1330 CG ASP A 89 67.879 -7.033 12.140 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.917 -6.448 12.609 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.970 -7.096 12.682 1.00 0.00 O ATOM 0 H ASP A 89 67.106 -9.066 8.884 1.00 0.00 H new ATOM 0 HA ASP A 89 67.921 -9.734 11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.649 -7.732 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.985 -7.187 10.178 1.00 0.00 H new ATOM 1337 N ALA A 90 64.801 -9.117 10.992 1.00 0.00 N ATOM 1338 CA ALA A 90 63.453 -9.122 11.630 1.00 0.00 C ATOM 1339 C ALA A 90 63.030 -10.556 11.959 1.00 0.00 C ATOM 1340 O ALA A 90 63.887 -11.424 11.939 1.00 0.00 O ATOM 1341 CB ALA A 90 62.518 -8.513 10.584 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.858 -10.761 12.225 1.00 0.00 O ATOM 0 H ALA A 90 64.798 -9.067 9.973 1.00 0.00 H new ATOM 0 HA ALA A 90 63.436 -8.563 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 90 61.502 -8.481 10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.847 -7.501 10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.537 -9.122 9.680 1.00 0.00 H new