USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 439 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 41 GLN : amide:sc= -0.117 X(o=-1.2,f=-1.6) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.07 K(o=-1.2,f=-3.3!) USER MOD Set 2.1: A 30 ASN : amide:sc=-0.00174 K(o=1.1,f=0.29) USER MOD Set 2.2: A 34 ASN : amide:sc= 1.08 K(o=1.1,f=0.29) USER MOD Set 3.1: A 11 MET CE :methyl -118:sc= -18! (180deg=-19.1!) USER MOD Set 3.2: A 31 TYR OH : rot -147:sc= -3.69! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.045) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 170:sc= 0.5 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 0.618 (180deg=-1.46!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc=-0.00111 (180deg=-0.0786) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -118:sc= -9.09! (180deg=-13.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -33:sc= 0.549 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.204 -6.031 -11.819 1.00 0.00 N ATOM 2 CA GLY A 1 -8.599 -6.545 -10.559 1.00 0.00 C ATOM 3 C GLY A 1 -7.154 -6.117 -10.391 1.00 0.00 C ATOM 4 O GLY A 1 -6.878 -4.995 -9.965 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.191 -6.351 -11.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.177 -4.991 -11.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.667 -6.391 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.181 -6.189 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.655 -7.634 -10.551 1.00 0.00 H new ATOM 10 N GLY A 2 -6.230 -7.012 -10.727 1.00 0.00 N ATOM 11 CA GLY A 2 -4.818 -6.702 -10.603 1.00 0.00 C ATOM 12 C GLY A 2 -4.191 -7.335 -9.376 1.00 0.00 C ATOM 13 O GLY A 2 -4.827 -7.433 -8.327 1.00 0.00 O ATOM 0 H GLY A 2 -6.434 -7.946 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.294 -7.047 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.689 -5.621 -10.556 1.00 0.00 H new ATOM 17 N SER A 3 -2.940 -7.764 -9.508 1.00 0.00 N ATOM 18 CA SER A 3 -2.226 -8.390 -8.401 1.00 0.00 C ATOM 19 C SER A 3 -1.596 -7.336 -7.496 1.00 0.00 C ATOM 20 O SER A 3 -1.857 -6.143 -7.643 1.00 0.00 O ATOM 21 CB SER A 3 -1.149 -9.338 -8.932 1.00 0.00 C ATOM 22 OG SER A 3 -1.126 -10.549 -8.195 1.00 0.00 O ATOM 0 H SER A 3 -2.400 -7.690 -10.370 1.00 0.00 H new ATOM 0 HA SER A 3 -2.944 -8.963 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.336 -9.553 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.174 -8.855 -8.874 1.00 0.00 H new ATOM 0 HG SER A 3 -0.431 -11.138 -8.555 1.00 0.00 H new ATOM 28 N VAL A 4 -0.764 -7.785 -6.561 1.00 0.00 N ATOM 29 CA VAL A 4 -0.096 -6.880 -5.633 1.00 0.00 C ATOM 30 C VAL A 4 0.905 -5.992 -6.366 1.00 0.00 C ATOM 31 O VAL A 4 1.068 -4.814 -6.043 1.00 0.00 O ATOM 32 CB VAL A 4 0.620 -7.664 -4.510 1.00 0.00 C ATOM 33 CG1 VAL A 4 2.037 -8.053 -4.914 1.00 0.00 C ATOM 34 CG2 VAL A 4 0.629 -6.858 -3.220 1.00 0.00 C ATOM 0 H VAL A 4 -0.537 -8.770 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.861 -6.248 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 4 0.063 -8.586 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.510 -8.603 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.002 -8.681 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.614 -7.153 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.137 -7.425 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.153 -5.916 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.396 -6.654 -2.911 1.00 0.00 H new ATOM 44 N GLU A 5 1.570 -6.572 -7.357 1.00 0.00 N ATOM 45 CA GLU A 5 2.557 -5.846 -8.148 1.00 0.00 C ATOM 46 C GLU A 5 1.926 -4.618 -8.795 1.00 0.00 C ATOM 47 O GLU A 5 2.521 -3.540 -8.819 1.00 0.00 O ATOM 48 CB GLU A 5 3.149 -6.756 -9.224 1.00 0.00 C ATOM 49 CG GLU A 5 2.102 -7.422 -10.102 1.00 0.00 C ATOM 50 CD GLU A 5 1.718 -6.573 -11.298 1.00 0.00 C ATOM 51 OE1 GLU A 5 0.563 -6.686 -11.760 1.00 0.00 O ATOM 52 OE2 GLU A 5 2.572 -5.794 -11.772 1.00 0.00 O ATOM 0 H GLU A 5 1.444 -7.546 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 5 3.356 -5.519 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.820 -6.171 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.752 -7.527 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.483 -8.382 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.212 -7.628 -9.507 1.00 0.00 H new ATOM 59 N ASP A 6 0.712 -4.786 -9.310 1.00 0.00 N ATOM 60 CA ASP A 6 -0.004 -3.688 -9.945 1.00 0.00 C ATOM 61 C ASP A 6 -0.280 -2.582 -8.933 1.00 0.00 C ATOM 62 O ASP A 6 -0.258 -1.397 -9.266 1.00 0.00 O ATOM 63 CB ASP A 6 -1.319 -4.186 -10.547 1.00 0.00 C ATOM 64 CG ASP A 6 -2.050 -3.103 -11.315 1.00 0.00 C ATOM 65 OD1 ASP A 6 -1.396 -2.122 -11.726 1.00 0.00 O ATOM 66 OD2 ASP A 6 -3.277 -3.237 -11.506 1.00 0.00 O ATOM 0 H ASP A 6 0.205 -5.671 -9.300 1.00 0.00 H new ATOM 0 HA ASP A 6 0.618 -3.287 -10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.116 -5.025 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.962 -4.559 -9.750 1.00 0.00 H new ATOM 71 N ILE A 7 -0.533 -2.983 -7.691 1.00 0.00 N ATOM 72 CA ILE A 7 -0.808 -2.034 -6.620 1.00 0.00 C ATOM 73 C ILE A 7 0.439 -1.228 -6.278 1.00 0.00 C ATOM 74 O ILE A 7 0.373 -0.013 -6.087 1.00 0.00 O ATOM 75 CB ILE A 7 -1.306 -2.753 -5.350 1.00 0.00 C ATOM 76 CG1 ILE A 7 -2.497 -3.654 -5.683 1.00 0.00 C ATOM 77 CG2 ILE A 7 -1.681 -1.743 -4.273 1.00 0.00 C ATOM 78 CD1 ILE A 7 -2.893 -4.577 -4.551 1.00 0.00 C ATOM 0 H ILE A 7 -0.553 -3.961 -7.402 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.589 -1.362 -6.977 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.498 -3.375 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.351 -3.030 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.255 -4.253 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.030 -2.270 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.808 -1.142 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.474 -1.093 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.744 -5.186 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.054 -5.226 -4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.167 -3.985 -3.678 1.00 0.00 H new ATOM 90 N LYS A 8 1.576 -1.912 -6.205 1.00 0.00 N ATOM 91 CA LYS A 8 2.840 -1.258 -5.889 1.00 0.00 C ATOM 92 C LYS A 8 3.231 -0.272 -6.985 1.00 0.00 C ATOM 93 O LYS A 8 3.672 0.843 -6.703 1.00 0.00 O ATOM 94 CB LYS A 8 3.945 -2.300 -5.706 1.00 0.00 C ATOM 95 CG LYS A 8 4.023 -2.865 -4.297 1.00 0.00 C ATOM 96 CD LYS A 8 4.347 -4.352 -4.308 1.00 0.00 C ATOM 97 CE LYS A 8 5.391 -4.704 -3.259 1.00 0.00 C ATOM 98 NZ LYS A 8 6.739 -4.898 -3.861 1.00 0.00 N ATOM 0 H LYS A 8 1.648 -2.918 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 8 2.713 -0.706 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.781 -3.118 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.904 -1.849 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.786 -2.330 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.074 -2.702 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.438 -4.925 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.710 -4.639 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.437 -3.911 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.091 -5.614 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.422 -5.136 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.701 -5.672 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.037 -4.022 -4.335 1.00 0.00 H new ATOM 112 N ALA A 9 3.069 -0.691 -8.237 1.00 0.00 N ATOM 113 CA ALA A 9 3.408 0.154 -9.376 1.00 0.00 C ATOM 114 C ALA A 9 2.488 1.368 -9.460 1.00 0.00 C ATOM 115 O ALA A 9 2.942 2.486 -9.709 1.00 0.00 O ATOM 116 CB ALA A 9 3.341 -0.649 -10.666 1.00 0.00 C ATOM 0 H ALA A 9 2.705 -1.610 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 9 4.427 0.515 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.596 -0.006 -11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.047 -1.478 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.332 -1.039 -10.800 1.00 0.00 H new ATOM 122 N LYS A 10 1.194 1.144 -9.248 1.00 0.00 N ATOM 123 CA LYS A 10 0.220 2.227 -9.300 1.00 0.00 C ATOM 124 C LYS A 10 0.506 3.257 -8.214 1.00 0.00 C ATOM 125 O LYS A 10 0.532 4.462 -8.473 1.00 0.00 O ATOM 126 CB LYS A 10 -1.198 1.675 -9.138 1.00 0.00 C ATOM 127 CG LYS A 10 -1.868 1.326 -10.457 1.00 0.00 C ATOM 128 CD LYS A 10 -3.278 1.891 -10.536 1.00 0.00 C ATOM 129 CE LYS A 10 -4.190 0.997 -11.359 1.00 0.00 C ATOM 130 NZ LYS A 10 -5.522 1.623 -11.588 1.00 0.00 N ATOM 0 H LYS A 10 0.798 0.227 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 10 0.300 2.714 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.163 0.784 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.808 2.411 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.272 1.716 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.903 0.243 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.684 2.000 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.248 2.887 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.719 0.783 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.320 0.043 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.114 0.982 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.983 1.804 -10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.400 2.521 -12.098 1.00 0.00 H new ATOM 144 N MET A 11 0.734 2.774 -6.997 1.00 0.00 N ATOM 145 CA MET A 11 1.030 3.653 -5.877 1.00 0.00 C ATOM 146 C MET A 11 2.321 4.417 -6.131 1.00 0.00 C ATOM 147 O MET A 11 2.407 5.612 -5.856 1.00 0.00 O ATOM 148 CB MET A 11 1.135 2.847 -4.583 1.00 0.00 C ATOM 149 CG MET A 11 -0.172 2.188 -4.181 1.00 0.00 C ATOM 150 SD MET A 11 0.074 0.686 -3.219 1.00 0.00 S ATOM 151 CE MET A 11 -1.228 0.856 -2.002 1.00 0.00 C ATOM 0 H MET A 11 0.719 1.781 -6.764 1.00 0.00 H new ATOM 0 HA MET A 11 0.216 4.371 -5.774 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.900 2.080 -4.702 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.465 3.505 -3.779 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.766 2.893 -3.600 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.745 1.951 -5.077 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.789 0.917 -1.006 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.798 1.763 -2.204 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.890 -0.008 -2.054 1.00 0.00 H new ATOM 161 N GLN A 12 3.318 3.724 -6.677 1.00 0.00 N ATOM 162 CA GLN A 12 4.599 4.348 -6.986 1.00 0.00 C ATOM 163 C GLN A 12 4.388 5.513 -7.943 1.00 0.00 C ATOM 164 O GLN A 12 4.909 6.608 -7.729 1.00 0.00 O ATOM 165 CB GLN A 12 5.560 3.327 -7.599 1.00 0.00 C ATOM 166 CG GLN A 12 6.969 3.405 -7.034 1.00 0.00 C ATOM 167 CD GLN A 12 7.556 4.800 -7.121 1.00 0.00 C ATOM 168 OE1 GLN A 12 7.611 5.525 -6.128 1.00 0.00 O ATOM 169 NE2 GLN A 12 7.997 5.184 -8.313 1.00 0.00 N ATOM 0 H GLN A 12 3.262 2.733 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 12 5.039 4.721 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.166 2.324 -7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.601 3.480 -8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.957 3.084 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.612 2.710 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.932 4.550 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.401 6.113 -8.432 1.00 0.00 H new ATOM 178 N ALA A 13 3.596 5.278 -8.986 1.00 0.00 N ATOM 179 CA ALA A 13 3.292 6.321 -9.954 1.00 0.00 C ATOM 180 C ALA A 13 2.633 7.495 -9.244 1.00 0.00 C ATOM 181 O ALA A 13 2.967 8.656 -9.486 1.00 0.00 O ATOM 182 CB ALA A 13 2.389 5.783 -11.054 1.00 0.00 C ATOM 0 H ALA A 13 3.156 4.378 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 13 4.219 6.660 -10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.173 6.577 -11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.889 4.961 -11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.457 5.425 -10.617 1.00 0.00 H new ATOM 188 N SER A 14 1.706 7.175 -8.344 1.00 0.00 N ATOM 189 CA SER A 14 1.011 8.193 -7.569 1.00 0.00 C ATOM 190 C SER A 14 2.001 8.941 -6.684 1.00 0.00 C ATOM 191 O SER A 14 1.873 10.146 -6.470 1.00 0.00 O ATOM 192 CB SER A 14 -0.084 7.556 -6.710 1.00 0.00 C ATOM 193 OG SER A 14 -1.304 7.465 -7.426 1.00 0.00 O ATOM 0 H SER A 14 1.421 6.218 -8.135 1.00 0.00 H new ATOM 0 HA SER A 14 0.546 8.899 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.230 6.562 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.232 8.147 -5.806 1.00 0.00 H new ATOM 0 HG SER A 14 -1.987 7.053 -6.857 1.00 0.00 H new ATOM 199 N ILE A 15 2.997 8.215 -6.180 1.00 0.00 N ATOM 200 CA ILE A 15 4.022 8.804 -5.327 1.00 0.00 C ATOM 201 C ILE A 15 4.826 9.838 -6.107 1.00 0.00 C ATOM 202 O ILE A 15 5.121 10.922 -5.604 1.00 0.00 O ATOM 203 CB ILE A 15 4.979 7.723 -4.770 1.00 0.00 C ATOM 204 CG1 ILE A 15 4.214 6.764 -3.846 1.00 0.00 C ATOM 205 CG2 ILE A 15 6.153 8.366 -4.039 1.00 0.00 C ATOM 206 CD1 ILE A 15 5.033 6.219 -2.693 1.00 0.00 C ATOM 0 H ILE A 15 3.114 7.216 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 15 3.519 9.286 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 15 5.381 7.149 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.344 7.283 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.841 5.928 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.813 7.588 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.706 9.004 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.780 8.967 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.416 5.551 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.889 5.669 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.384 7.045 -2.074 1.00 0.00 H new ATOM 218 N GLU A 16 5.171 9.493 -7.341 1.00 0.00 N ATOM 219 CA GLU A 16 5.935 10.389 -8.199 1.00 0.00 C ATOM 220 C GLU A 16 5.087 11.587 -8.613 1.00 0.00 C ATOM 221 O GLU A 16 5.593 12.700 -8.756 1.00 0.00 O ATOM 222 CB GLU A 16 6.429 9.644 -9.441 1.00 0.00 C ATOM 223 CG GLU A 16 7.765 8.946 -9.241 1.00 0.00 C ATOM 224 CD GLU A 16 8.764 9.271 -10.334 1.00 0.00 C ATOM 225 OE1 GLU A 16 9.111 10.461 -10.487 1.00 0.00 O ATOM 226 OE2 GLU A 16 9.201 8.335 -11.037 1.00 0.00 O ATOM 0 H GLU A 16 4.934 8.599 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 16 6.797 10.749 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.682 8.905 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.517 10.350 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.181 9.236 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.606 7.868 -9.208 1.00 0.00 H new ATOM 233 N LYS A 17 3.793 11.349 -8.805 1.00 0.00 N ATOM 234 CA LYS A 17 2.871 12.407 -9.204 1.00 0.00 C ATOM 235 C LYS A 17 2.077 12.936 -8.010 1.00 0.00 C ATOM 236 O LYS A 17 1.078 13.635 -8.183 1.00 0.00 O ATOM 237 CB LYS A 17 1.911 11.892 -10.277 1.00 0.00 C ATOM 238 CG LYS A 17 2.541 11.784 -11.656 1.00 0.00 C ATOM 239 CD LYS A 17 1.489 11.796 -12.754 1.00 0.00 C ATOM 240 CE LYS A 17 1.650 10.613 -13.696 1.00 0.00 C ATOM 241 NZ LYS A 17 0.819 9.451 -13.275 1.00 0.00 N ATOM 0 H LYS A 17 3.359 10.433 -8.691 1.00 0.00 H new ATOM 0 HA LYS A 17 3.462 13.228 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.538 10.912 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.049 12.557 -10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.234 12.612 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.124 10.865 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.495 11.773 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.563 12.725 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.370 10.912 -14.706 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.698 10.316 -13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.957 8.666 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.103 9.149 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.184 9.726 -13.267 1.00 0.00 H new ATOM 255 N GLY A 18 2.518 12.600 -6.800 1.00 0.00 N ATOM 256 CA GLY A 18 1.824 13.054 -5.608 1.00 0.00 C ATOM 257 C GLY A 18 2.745 13.191 -4.412 1.00 0.00 C ATOM 258 O GLY A 18 3.104 14.302 -4.021 1.00 0.00 O ATOM 0 H GLY A 18 3.341 12.023 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.353 14.016 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.025 12.352 -5.368 1.00 0.00 H new ATOM 262 N GLY A 19 3.129 12.060 -3.829 1.00 0.00 N ATOM 263 CA GLY A 19 4.010 12.084 -2.675 1.00 0.00 C ATOM 264 C GLY A 19 4.074 10.748 -1.961 1.00 0.00 C ATOM 265 O GLY A 19 3.401 9.793 -2.350 1.00 0.00 O ATOM 0 H GLY A 19 2.847 11.129 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.012 12.369 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.668 12.848 -1.977 1.00 0.00 H new ATOM 269 N SER A 20 4.887 10.681 -0.910 1.00 0.00 N ATOM 270 CA SER A 20 5.043 9.453 -0.135 1.00 0.00 C ATOM 271 C SER A 20 3.693 8.939 0.358 1.00 0.00 C ATOM 272 O SER A 20 2.691 9.653 0.315 1.00 0.00 O ATOM 273 CB SER A 20 5.975 9.694 1.053 1.00 0.00 C ATOM 274 OG SER A 20 6.562 8.483 1.496 1.00 0.00 O ATOM 0 H SER A 20 5.449 11.464 -0.575 1.00 0.00 H new ATOM 0 HA SER A 20 5.480 8.696 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.757 10.398 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.417 10.151 1.870 1.00 0.00 H new ATOM 0 HG SER A 20 7.270 8.681 2.144 1.00 0.00 H new ATOM 280 N LEU A 21 3.676 7.695 0.827 1.00 0.00 N ATOM 281 CA LEU A 21 2.451 7.082 1.328 1.00 0.00 C ATOM 282 C LEU A 21 2.337 7.254 2.841 1.00 0.00 C ATOM 283 O LEU A 21 3.309 7.610 3.508 1.00 0.00 O ATOM 284 CB LEU A 21 2.414 5.595 0.967 1.00 0.00 C ATOM 285 CG LEU A 21 2.973 5.250 -0.414 1.00 0.00 C ATOM 286 CD1 LEU A 21 3.205 3.753 -0.538 1.00 0.00 C ATOM 287 CD2 LEU A 21 2.032 5.738 -1.506 1.00 0.00 C ATOM 0 H LEU A 21 4.497 7.092 0.870 1.00 0.00 H new ATOM 0 HA LEU A 21 1.605 7.583 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.976 5.040 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.382 5.249 1.021 1.00 0.00 H new ATOM 0 HG LEU A 21 3.931 5.756 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.603 3.527 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.917 3.431 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.261 3.226 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.445 5.484 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.059 5.260 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.917 6.819 -1.431 1.00 0.00 H new ATOM 299 N PRO A 22 1.143 7.002 3.405 1.00 0.00 N ATOM 300 CA PRO A 22 0.908 7.132 4.847 1.00 0.00 C ATOM 301 C PRO A 22 1.930 6.361 5.676 1.00 0.00 C ATOM 302 O PRO A 22 1.953 5.131 5.667 1.00 0.00 O ATOM 303 CB PRO A 22 -0.491 6.540 5.034 1.00 0.00 C ATOM 304 CG PRO A 22 -1.156 6.722 3.715 1.00 0.00 C ATOM 305 CD PRO A 22 -0.071 6.573 2.684 1.00 0.00 C ATOM 0 HA PRO A 22 0.996 8.166 5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.442 5.487 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.036 7.053 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.940 5.980 3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.628 7.702 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.012 5.544 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.260 7.194 1.809 1.00 0.00 H new ATOM 313 N LYS A 23 2.774 7.097 6.392 1.00 0.00 N ATOM 314 CA LYS A 23 3.802 6.492 7.232 1.00 0.00 C ATOM 315 C LYS A 23 3.177 5.701 8.378 1.00 0.00 C ATOM 316 O LYS A 23 3.809 4.810 8.943 1.00 0.00 O ATOM 317 CB LYS A 23 4.738 7.581 7.776 1.00 0.00 C ATOM 318 CG LYS A 23 5.533 7.173 9.011 1.00 0.00 C ATOM 319 CD LYS A 23 4.944 7.773 10.281 1.00 0.00 C ATOM 320 CE LYS A 23 4.214 6.731 11.119 1.00 0.00 C ATOM 321 NZ LYS A 23 4.978 5.457 11.216 1.00 0.00 N ATOM 0 H LYS A 23 2.766 8.117 6.407 1.00 0.00 H new ATOM 0 HA LYS A 23 4.381 5.797 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.435 7.869 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.146 8.464 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.546 6.086 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.568 7.497 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.741 8.221 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.254 8.574 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.041 7.127 12.120 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.236 6.534 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.766 4.993 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.705 4.828 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.997 5.658 11.160 1.00 0.00 H new ATOM 335 N VAL A 24 1.937 6.026 8.722 1.00 0.00 N ATOM 336 CA VAL A 24 1.248 5.332 9.800 1.00 0.00 C ATOM 337 C VAL A 24 0.594 4.058 9.285 1.00 0.00 C ATOM 338 O VAL A 24 -0.236 4.100 8.380 1.00 0.00 O ATOM 339 CB VAL A 24 0.178 6.225 10.456 1.00 0.00 C ATOM 340 CG1 VAL A 24 -0.407 5.547 11.685 1.00 0.00 C ATOM 341 CG2 VAL A 24 0.764 7.582 10.814 1.00 0.00 C ATOM 0 H VAL A 24 1.391 6.761 8.273 1.00 0.00 H new ATOM 0 HA VAL A 24 1.997 5.080 10.551 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.629 6.380 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.161 6.194 12.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.866 4.602 11.395 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.386 5.358 12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.006 8.200 11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.590 7.449 11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.128 8.071 9.910 1.00 0.00 H new ATOM 351 N GLU A 25 0.983 2.924 9.862 1.00 0.00 N ATOM 352 CA GLU A 25 0.446 1.628 9.457 1.00 0.00 C ATOM 353 C GLU A 25 -1.072 1.672 9.297 1.00 0.00 C ATOM 354 O GLU A 25 -1.611 1.179 8.309 1.00 0.00 O ATOM 355 CB GLU A 25 0.827 0.556 10.479 1.00 0.00 C ATOM 356 CG GLU A 25 0.428 -0.850 10.062 1.00 0.00 C ATOM 357 CD GLU A 25 0.880 -1.902 11.056 1.00 0.00 C ATOM 358 OE1 GLU A 25 1.803 -1.615 11.847 1.00 0.00 O ATOM 359 OE2 GLU A 25 0.310 -3.013 11.045 1.00 0.00 O ATOM 0 H GLU A 25 1.670 2.877 10.614 1.00 0.00 H new ATOM 0 HA GLU A 25 0.880 1.380 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.905 0.586 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.355 0.791 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.655 -0.899 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.857 -1.071 9.084 1.00 0.00 H new ATOM 366 N ALA A 26 -1.757 2.262 10.269 1.00 0.00 N ATOM 367 CA ALA A 26 -3.212 2.355 10.221 1.00 0.00 C ATOM 368 C ALA A 26 -3.671 3.206 9.043 1.00 0.00 C ATOM 369 O ALA A 26 -4.666 2.891 8.385 1.00 0.00 O ATOM 370 CB ALA A 26 -3.737 2.933 11.526 1.00 0.00 C ATOM 0 H ALA A 26 -1.332 2.681 11.096 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.615 1.351 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.824 3.000 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.445 2.286 12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.318 3.928 11.678 1.00 0.00 H new ATOM 376 N LYS A 27 -2.931 4.273 8.764 1.00 0.00 N ATOM 377 CA LYS A 27 -3.262 5.150 7.651 1.00 0.00 C ATOM 378 C LYS A 27 -2.967 4.446 6.337 1.00 0.00 C ATOM 379 O LYS A 27 -3.678 4.623 5.346 1.00 0.00 O ATOM 380 CB LYS A 27 -2.471 6.457 7.742 1.00 0.00 C ATOM 381 CG LYS A 27 -2.817 7.293 8.964 1.00 0.00 C ATOM 382 CD LYS A 27 -2.050 8.607 8.976 1.00 0.00 C ATOM 383 CE LYS A 27 -2.952 9.780 9.332 1.00 0.00 C ATOM 384 NZ LYS A 27 -2.979 10.807 8.254 1.00 0.00 N ATOM 0 H LYS A 27 -2.103 4.549 9.291 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.324 5.390 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.406 6.227 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.655 7.047 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.888 7.496 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.589 6.729 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.233 8.545 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.602 8.776 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.964 9.418 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.605 10.236 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.604 11.589 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.018 11.172 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.334 10.379 7.375 1.00 0.00 H new ATOM 398 N PHE A 28 -1.922 3.627 6.345 1.00 0.00 N ATOM 399 CA PHE A 28 -1.537 2.872 5.167 1.00 0.00 C ATOM 400 C PHE A 28 -2.576 1.801 4.876 1.00 0.00 C ATOM 401 O PHE A 28 -3.045 1.663 3.748 1.00 0.00 O ATOM 402 CB PHE A 28 -0.164 2.230 5.367 1.00 0.00 C ATOM 403 CG PHE A 28 0.280 1.397 4.200 1.00 0.00 C ATOM 404 CD1 PHE A 28 0.314 0.016 4.290 1.00 0.00 C ATOM 405 CD2 PHE A 28 0.660 1.998 3.011 1.00 0.00 C ATOM 406 CE1 PHE A 28 0.719 -0.752 3.215 1.00 0.00 C ATOM 407 CE2 PHE A 28 1.067 1.236 1.933 1.00 0.00 C ATOM 408 CZ PHE A 28 1.096 -0.141 2.035 1.00 0.00 C ATOM 0 H PHE A 28 -1.327 3.471 7.159 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.480 3.554 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.573 3.013 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.189 1.606 6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.021 -0.467 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.638 3.074 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.741 -1.829 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.362 1.716 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.413 -0.739 1.193 1.00 0.00 H new ATOM 418 N ILE A 29 -2.945 1.054 5.910 1.00 0.00 N ATOM 419 CA ILE A 29 -3.939 0.004 5.773 1.00 0.00 C ATOM 420 C ILE A 29 -5.263 0.588 5.294 1.00 0.00 C ATOM 421 O ILE A 29 -5.944 0.001 4.456 1.00 0.00 O ATOM 422 CB ILE A 29 -4.154 -0.752 7.108 1.00 0.00 C ATOM 423 CG1 ILE A 29 -2.880 -1.501 7.514 1.00 0.00 C ATOM 424 CG2 ILE A 29 -5.322 -1.725 6.999 1.00 0.00 C ATOM 425 CD1 ILE A 29 -2.248 -2.294 6.389 1.00 0.00 C ATOM 0 H ILE A 29 -2.569 1.159 6.852 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.568 -0.707 5.035 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.388 -0.016 7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.153 -0.782 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.115 -2.178 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.453 -2.244 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.232 -1.176 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.117 -2.452 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.352 -2.795 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.957 -3.038 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.980 -1.620 5.575 1.00 0.00 H new ATOM 437 N ASN A 30 -5.623 1.750 5.830 1.00 0.00 N ATOM 438 CA ASN A 30 -6.869 2.404 5.450 1.00 0.00 C ATOM 439 C ASN A 30 -6.824 2.898 4.003 1.00 0.00 C ATOM 440 O ASN A 30 -7.811 2.791 3.275 1.00 0.00 O ATOM 441 CB ASN A 30 -7.157 3.576 6.392 1.00 0.00 C ATOM 442 CG ASN A 30 -8.557 3.524 6.970 1.00 0.00 C ATOM 443 OD1 ASN A 30 -9.545 3.534 6.236 1.00 0.00 O ATOM 444 ND2 ASN A 30 -8.649 3.469 8.294 1.00 0.00 N ATOM 0 H ASN A 30 -5.073 2.255 6.525 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.669 1.668 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.431 3.572 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.025 4.513 5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.565 3.433 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.803 3.463 8.864 1.00 0.00 H new ATOM 451 N TYR A 31 -5.684 3.452 3.594 1.00 0.00 N ATOM 452 CA TYR A 31 -5.537 3.973 2.235 1.00 0.00 C ATOM 453 C TYR A 31 -5.529 2.852 1.194 1.00 0.00 C ATOM 454 O TYR A 31 -6.283 2.897 0.222 1.00 0.00 O ATOM 455 CB TYR A 31 -4.273 4.853 2.147 1.00 0.00 C ATOM 456 CG TYR A 31 -3.194 4.401 1.171 1.00 0.00 C ATOM 457 CD1 TYR A 31 -3.448 4.272 -0.191 1.00 0.00 C ATOM 458 CD2 TYR A 31 -1.906 4.133 1.621 1.00 0.00 C ATOM 459 CE1 TYR A 31 -2.451 3.890 -1.070 1.00 0.00 C ATOM 460 CE2 TYR A 31 -0.908 3.747 0.749 1.00 0.00 C ATOM 461 CZ TYR A 31 -1.183 3.628 -0.594 1.00 0.00 C ATOM 462 OH TYR A 31 -0.186 3.253 -1.465 1.00 0.00 O ATOM 0 H TYR A 31 -4.854 3.552 4.179 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.403 4.593 2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.579 5.863 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.830 4.913 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.440 4.473 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.682 4.229 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.664 3.797 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.085 3.539 1.119 1.00 0.00 H new ATOM 0 HH TYR A 31 0.426 2.633 -1.015 1.00 0.00 H new ATOM 472 N VAL A 32 -4.675 1.856 1.394 1.00 0.00 N ATOM 473 CA VAL A 32 -4.581 0.739 0.459 1.00 0.00 C ATOM 474 C VAL A 32 -5.847 -0.110 0.459 1.00 0.00 C ATOM 475 O VAL A 32 -6.351 -0.490 -0.597 1.00 0.00 O ATOM 476 CB VAL A 32 -3.377 -0.163 0.774 1.00 0.00 C ATOM 477 CG1 VAL A 32 -3.161 -1.175 -0.340 1.00 0.00 C ATOM 478 CG2 VAL A 32 -2.130 0.675 0.988 1.00 0.00 C ATOM 0 H VAL A 32 -4.040 1.797 2.190 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.451 1.181 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.585 -0.710 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.304 -1.804 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.050 -1.797 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.973 -0.650 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.286 0.022 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.917 1.248 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.289 1.358 1.822 1.00 0.00 H new ATOM 488 N LYS A 33 -6.345 -0.419 1.649 1.00 0.00 N ATOM 489 CA LYS A 33 -7.544 -1.241 1.787 1.00 0.00 C ATOM 490 C LYS A 33 -8.752 -0.594 1.116 1.00 0.00 C ATOM 491 O LYS A 33 -9.622 -1.284 0.593 1.00 0.00 O ATOM 492 CB LYS A 33 -7.845 -1.504 3.263 1.00 0.00 C ATOM 493 CG LYS A 33 -8.895 -2.580 3.486 1.00 0.00 C ATOM 494 CD LYS A 33 -9.859 -2.198 4.598 1.00 0.00 C ATOM 495 CE LYS A 33 -9.504 -2.889 5.905 1.00 0.00 C ATOM 496 NZ LYS A 33 -9.817 -4.345 5.869 1.00 0.00 N ATOM 0 H LYS A 33 -5.939 -0.114 2.533 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.349 -2.189 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.924 -1.797 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.182 -0.577 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.450 -2.744 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.405 -3.521 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.842 -1.117 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.875 -2.466 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.443 -2.751 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.051 -2.421 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.838 -4.720 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.745 -4.490 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.087 -4.843 5.321 1.00 0.00 H new ATOM 510 N ASN A 34 -8.812 0.729 1.142 1.00 0.00 N ATOM 511 CA ASN A 34 -9.931 1.444 0.538 1.00 0.00 C ATOM 512 C ASN A 34 -9.794 1.520 -0.982 1.00 0.00 C ATOM 513 O ASN A 34 -10.762 1.309 -1.712 1.00 0.00 O ATOM 514 CB ASN A 34 -10.033 2.855 1.121 1.00 0.00 C ATOM 515 CG ASN A 34 -10.988 2.926 2.296 1.00 0.00 C ATOM 516 OD1 ASN A 34 -12.203 3.014 2.119 1.00 0.00 O ATOM 517 ND2 ASN A 34 -10.441 2.890 3.505 1.00 0.00 N ATOM 0 H ASN A 34 -8.106 1.327 1.571 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.841 0.889 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.044 3.186 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.365 3.543 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.033 2.936 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.429 2.816 3.605 1.00 0.00 H new ATOM 524 N CYS A 35 -8.594 1.847 -1.450 1.00 0.00 N ATOM 525 CA CYS A 35 -8.338 1.981 -2.881 1.00 0.00 C ATOM 526 C CYS A 35 -8.112 0.637 -3.577 1.00 0.00 C ATOM 527 O CYS A 35 -8.516 0.456 -4.725 1.00 0.00 O ATOM 528 CB CYS A 35 -7.128 2.887 -3.112 1.00 0.00 C ATOM 529 SG CYS A 35 -6.870 3.348 -4.842 1.00 0.00 S ATOM 0 H CYS A 35 -7.782 2.024 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.233 2.423 -3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.248 3.794 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.234 2.382 -2.744 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.825 4.116 -4.935 1.00 0.00 H new ATOM 535 N PHE A 36 -7.436 -0.292 -2.904 1.00 0.00 N ATOM 536 CA PHE A 36 -7.137 -1.592 -3.507 1.00 0.00 C ATOM 537 C PHE A 36 -7.894 -2.748 -2.851 1.00 0.00 C ATOM 538 O PHE A 36 -7.822 -3.882 -3.323 1.00 0.00 O ATOM 539 CB PHE A 36 -5.634 -1.855 -3.439 1.00 0.00 C ATOM 540 CG PHE A 36 -4.808 -0.753 -4.040 1.00 0.00 C ATOM 541 CD1 PHE A 36 -4.434 0.340 -3.277 1.00 0.00 C ATOM 542 CD2 PHE A 36 -4.405 -0.810 -5.365 1.00 0.00 C ATOM 543 CE1 PHE A 36 -3.672 1.355 -3.819 1.00 0.00 C ATOM 544 CE2 PHE A 36 -3.643 0.204 -5.915 1.00 0.00 C ATOM 545 CZ PHE A 36 -3.275 1.288 -5.141 1.00 0.00 C ATOM 0 H PHE A 36 -7.088 -0.173 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.471 -1.545 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.343 -1.990 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.412 -2.789 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.743 0.399 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.689 -1.655 -5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.386 2.201 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.336 0.149 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.679 2.081 -5.568 1.00 0.00 H new ATOM 555 N ARG A 37 -8.624 -2.470 -1.778 1.00 0.00 N ATOM 556 CA ARG A 37 -9.388 -3.513 -1.095 1.00 0.00 C ATOM 557 C ARG A 37 -8.482 -4.633 -0.584 1.00 0.00 C ATOM 558 O ARG A 37 -8.888 -5.794 -0.542 1.00 0.00 O ATOM 559 CB ARG A 37 -10.442 -4.094 -2.038 1.00 0.00 C ATOM 560 CG ARG A 37 -11.512 -3.095 -2.445 1.00 0.00 C ATOM 561 CD ARG A 37 -12.146 -3.471 -3.775 1.00 0.00 C ATOM 562 NE ARG A 37 -12.446 -2.296 -4.590 1.00 0.00 N ATOM 563 CZ ARG A 37 -11.536 -1.638 -5.305 1.00 0.00 C ATOM 564 NH1 ARG A 37 -10.270 -2.037 -5.310 1.00 0.00 N ATOM 565 NH2 ARG A 37 -11.894 -0.578 -6.018 1.00 0.00 N ATOM 0 H ARG A 37 -8.705 -1.542 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.877 -3.055 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.948 -4.470 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.918 -4.947 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.281 -3.049 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.074 -2.100 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.474 -4.131 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.064 -4.030 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.409 -1.960 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.990 -2.852 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.577 -1.529 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.866 -0.268 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.198 -0.073 -6.566 1.00 0.00 H new ATOM 579 N MET A 38 -7.259 -4.284 -0.190 1.00 0.00 N ATOM 580 CA MET A 38 -6.313 -5.275 0.323 1.00 0.00 C ATOM 581 C MET A 38 -6.913 -6.021 1.514 1.00 0.00 C ATOM 582 O MET A 38 -6.818 -5.568 2.654 1.00 0.00 O ATOM 583 CB MET A 38 -5.000 -4.601 0.734 1.00 0.00 C ATOM 584 CG MET A 38 -5.197 -3.357 1.583 1.00 0.00 C ATOM 585 SD MET A 38 -3.859 -3.098 2.767 1.00 0.00 S ATOM 586 CE MET A 38 -2.424 -3.203 1.699 1.00 0.00 C ATOM 0 H MET A 38 -6.901 -3.329 -0.215 1.00 0.00 H new ATOM 0 HA MET A 38 -6.105 -5.992 -0.471 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.391 -5.316 1.287 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.441 -4.334 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.273 -2.486 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.142 -3.436 2.121 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.801 -4.042 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.747 -3.351 0.669 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.849 -2.280 1.770 1.00 0.00 H new ATOM 596 N THR A 39 -7.541 -7.162 1.238 1.00 0.00 N ATOM 597 CA THR A 39 -8.169 -7.963 2.285 1.00 0.00 C ATOM 598 C THR A 39 -7.307 -9.163 2.679 1.00 0.00 C ATOM 599 O THR A 39 -7.594 -9.840 3.666 1.00 0.00 O ATOM 600 CB THR A 39 -9.545 -8.445 1.822 1.00 0.00 C ATOM 601 OG1 THR A 39 -9.436 -9.204 0.631 1.00 0.00 O ATOM 602 CG2 THR A 39 -10.516 -7.314 1.558 1.00 0.00 C ATOM 0 H THR A 39 -7.628 -7.552 0.299 1.00 0.00 H new ATOM 0 HA THR A 39 -8.278 -7.327 3.164 1.00 0.00 H new ATOM 0 HB THR A 39 -9.931 -9.051 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.326 -9.505 0.352 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.472 -7.724 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.660 -6.737 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.116 -6.665 0.779 1.00 0.00 H new ATOM 610 N ASP A 40 -6.253 -9.425 1.911 1.00 0.00 N ATOM 611 CA ASP A 40 -5.364 -10.546 2.200 1.00 0.00 C ATOM 612 C ASP A 40 -4.291 -10.139 3.203 1.00 0.00 C ATOM 613 O ASP A 40 -3.518 -9.213 2.957 1.00 0.00 O ATOM 614 CB ASP A 40 -4.710 -11.053 0.913 1.00 0.00 C ATOM 615 CG ASP A 40 -4.422 -12.541 0.959 1.00 0.00 C ATOM 616 OD1 ASP A 40 -3.266 -12.930 0.688 1.00 0.00 O ATOM 617 OD2 ASP A 40 -5.351 -13.317 1.265 1.00 0.00 O ATOM 0 H ASP A 40 -5.995 -8.880 1.089 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.960 -11.349 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.363 -10.838 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.780 -10.511 0.743 1.00 0.00 H new ATOM 622 N GLN A 41 -4.249 -10.834 4.338 1.00 0.00 N ATOM 623 CA GLN A 41 -3.271 -10.536 5.380 1.00 0.00 C ATOM 624 C GLN A 41 -1.853 -10.542 4.817 1.00 0.00 C ATOM 625 O GLN A 41 -0.999 -9.769 5.252 1.00 0.00 O ATOM 626 CB GLN A 41 -3.387 -11.550 6.520 1.00 0.00 C ATOM 627 CG GLN A 41 -4.126 -11.015 7.736 1.00 0.00 C ATOM 628 CD GLN A 41 -3.199 -10.718 8.898 1.00 0.00 C ATOM 629 OE1 GLN A 41 -2.270 -11.477 9.176 1.00 0.00 O ATOM 630 NE2 GLN A 41 -3.447 -9.609 9.585 1.00 0.00 N ATOM 0 H GLN A 41 -4.879 -11.605 4.558 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.481 -9.539 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.902 -12.438 6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.387 -11.862 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.660 -10.106 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.875 -11.742 8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.228 -9.009 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.857 -9.357 10.378 1.00 0.00 H new ATOM 639 N GLU A 42 -1.613 -11.406 3.837 1.00 0.00 N ATOM 640 CA GLU A 42 -0.303 -11.492 3.207 1.00 0.00 C ATOM 641 C GLU A 42 -0.026 -10.229 2.401 1.00 0.00 C ATOM 642 O GLU A 42 1.077 -9.683 2.437 1.00 0.00 O ATOM 643 CB GLU A 42 -0.221 -12.727 2.305 1.00 0.00 C ATOM 644 CG GLU A 42 0.957 -13.632 2.622 1.00 0.00 C ATOM 645 CD GLU A 42 0.620 -14.687 3.658 1.00 0.00 C ATOM 646 OE1 GLU A 42 1.311 -15.727 3.694 1.00 0.00 O ATOM 647 OE2 GLU A 42 -0.334 -14.472 4.435 1.00 0.00 O ATOM 0 H GLU A 42 -2.306 -12.054 3.463 1.00 0.00 H new ATOM 0 HA GLU A 42 0.453 -11.585 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.144 -13.299 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.152 -12.404 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.292 -14.121 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.789 -13.027 2.983 1.00 0.00 H new ATOM 654 N ALA A 43 -1.044 -9.764 1.684 1.00 0.00 N ATOM 655 CA ALA A 43 -0.921 -8.557 0.879 1.00 0.00 C ATOM 656 C ALA A 43 -0.754 -7.337 1.775 1.00 0.00 C ATOM 657 O ALA A 43 0.009 -6.423 1.462 1.00 0.00 O ATOM 658 CB ALA A 43 -2.138 -8.395 -0.021 1.00 0.00 C ATOM 0 H ALA A 43 -1.963 -10.206 1.645 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.035 -8.647 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.032 -7.488 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.218 -9.257 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.037 -8.323 0.592 1.00 0.00 H new ATOM 664 N ILE A 44 -1.466 -7.336 2.898 1.00 0.00 N ATOM 665 CA ILE A 44 -1.390 -6.236 3.849 1.00 0.00 C ATOM 666 C ILE A 44 0.006 -6.153 4.457 1.00 0.00 C ATOM 667 O ILE A 44 0.587 -5.072 4.562 1.00 0.00 O ATOM 668 CB ILE A 44 -2.436 -6.389 4.977 1.00 0.00 C ATOM 669 CG1 ILE A 44 -3.853 -6.379 4.389 1.00 0.00 C ATOM 670 CG2 ILE A 44 -2.272 -5.283 6.015 1.00 0.00 C ATOM 671 CD1 ILE A 44 -4.952 -6.309 5.430 1.00 0.00 C ATOM 0 H ILE A 44 -2.102 -8.086 3.170 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.604 -5.317 3.303 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.275 -7.345 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.950 -5.527 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.992 -7.278 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.017 -5.408 6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.274 -5.337 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.408 -4.313 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.923 -6.306 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.884 -7.174 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.841 -5.396 6.016 1.00 0.00 H new ATOM 683 N GLN A 45 0.540 -7.304 4.848 1.00 0.00 N ATOM 684 CA GLN A 45 1.871 -7.369 5.438 1.00 0.00 C ATOM 685 C GLN A 45 2.931 -6.986 4.413 1.00 0.00 C ATOM 686 O GLN A 45 3.895 -6.289 4.731 1.00 0.00 O ATOM 687 CB GLN A 45 2.144 -8.777 5.974 1.00 0.00 C ATOM 688 CG GLN A 45 1.878 -8.924 7.463 1.00 0.00 C ATOM 689 CD GLN A 45 0.411 -9.147 7.775 1.00 0.00 C ATOM 690 OE1 GLN A 45 -0.128 -10.229 7.540 1.00 0.00 O ATOM 691 NE2 GLN A 45 -0.243 -8.122 8.308 1.00 0.00 N ATOM 0 H GLN A 45 0.071 -8.206 4.767 1.00 0.00 H new ATOM 0 HA GLN A 45 1.916 -6.660 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.524 -9.490 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.183 -9.039 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.459 -9.760 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.223 -8.029 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.244 -7.243 8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.232 -8.213 8.540 1.00 0.00 H new ATOM 700 N ASP A 46 2.745 -7.446 3.180 1.00 0.00 N ATOM 701 CA ASP A 46 3.684 -7.152 2.105 1.00 0.00 C ATOM 702 C ASP A 46 3.631 -5.676 1.725 1.00 0.00 C ATOM 703 O ASP A 46 4.667 -5.032 1.551 1.00 0.00 O ATOM 704 CB ASP A 46 3.377 -8.018 0.881 1.00 0.00 C ATOM 705 CG ASP A 46 4.632 -8.560 0.226 1.00 0.00 C ATOM 706 OD1 ASP A 46 4.608 -8.795 -1.001 1.00 0.00 O ATOM 707 OD2 ASP A 46 5.640 -8.749 0.939 1.00 0.00 O ATOM 0 H ASP A 46 1.952 -8.024 2.901 1.00 0.00 H new ATOM 0 HA ASP A 46 4.689 -7.381 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.738 -8.849 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.817 -7.430 0.155 1.00 0.00 H new ATOM 712 N LEU A 47 2.419 -5.143 1.597 1.00 0.00 N ATOM 713 CA LEU A 47 2.241 -3.743 1.236 1.00 0.00 C ATOM 714 C LEU A 47 2.789 -2.834 2.331 1.00 0.00 C ATOM 715 O LEU A 47 3.384 -1.789 2.051 1.00 0.00 O ATOM 716 CB LEU A 47 0.755 -3.447 1.003 1.00 0.00 C ATOM 717 CG LEU A 47 0.314 -3.418 -0.462 1.00 0.00 C ATOM 718 CD1 LEU A 47 0.841 -2.168 -1.149 1.00 0.00 C ATOM 719 CD2 LEU A 47 0.781 -4.672 -1.191 1.00 0.00 C ATOM 0 H LEU A 47 1.550 -5.658 1.738 1.00 0.00 H new ATOM 0 HA LEU A 47 2.792 -3.549 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.165 -4.199 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.518 -2.484 1.455 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.775 -3.395 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.519 -2.162 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.452 -1.284 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.930 -2.161 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.457 -4.630 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.869 -4.732 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.352 -5.552 -0.712 1.00 0.00 H new ATOM 731 N TRP A 48 2.605 -3.247 3.581 1.00 0.00 N ATOM 732 CA TRP A 48 3.099 -2.473 4.708 1.00 0.00 C ATOM 733 C TRP A 48 4.618 -2.539 4.756 1.00 0.00 C ATOM 734 O TRP A 48 5.287 -1.530 4.979 1.00 0.00 O ATOM 735 CB TRP A 48 2.499 -2.980 6.018 1.00 0.00 C ATOM 736 CG TRP A 48 2.936 -2.196 7.221 1.00 0.00 C ATOM 737 CD1 TRP A 48 3.210 -2.698 8.461 1.00 0.00 C ATOM 738 CD2 TRP A 48 3.146 -0.775 7.308 1.00 0.00 C ATOM 739 NE1 TRP A 48 3.575 -1.686 9.312 1.00 0.00 N ATOM 740 CE2 TRP A 48 3.545 -0.498 8.631 1.00 0.00 C ATOM 741 CE3 TRP A 48 3.039 0.292 6.403 1.00 0.00 C ATOM 742 CZ2 TRP A 48 3.834 0.792 9.068 1.00 0.00 C ATOM 743 CZ3 TRP A 48 3.328 1.569 6.841 1.00 0.00 C ATOM 744 CH2 TRP A 48 3.721 1.809 8.163 1.00 0.00 C ATOM 0 H TRP A 48 2.120 -4.108 3.835 1.00 0.00 H new ATOM 0 HA TRP A 48 2.795 -1.434 4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.412 -2.946 5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.777 -4.025 6.155 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.148 -3.741 8.733 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.828 -1.800 10.294 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.736 0.117 5.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.137 0.982 10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.250 2.397 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.940 2.820 8.474 1.00 0.00 H new ATOM 755 N GLN A 49 5.158 -3.732 4.521 1.00 0.00 N ATOM 756 CA GLN A 49 6.601 -3.920 4.512 1.00 0.00 C ATOM 757 C GLN A 49 7.215 -3.069 3.409 1.00 0.00 C ATOM 758 O GLN A 49 8.307 -2.523 3.562 1.00 0.00 O ATOM 759 CB GLN A 49 6.953 -5.394 4.303 1.00 0.00 C ATOM 760 CG GLN A 49 8.132 -5.862 5.141 1.00 0.00 C ATOM 761 CD GLN A 49 9.392 -5.064 4.869 1.00 0.00 C ATOM 762 OE1 GLN A 49 9.781 -4.868 3.718 1.00 0.00 O ATOM 763 NE2 GLN A 49 10.039 -4.600 5.932 1.00 0.00 N ATOM 0 H GLN A 49 4.619 -4.578 4.335 1.00 0.00 H new ATOM 0 HA GLN A 49 7.005 -3.610 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.082 -6.004 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.178 -5.559 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.877 -5.782 6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.322 -6.916 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.681 -4.786 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.894 -4.057 5.812 1.00 0.00 H new ATOM 772 N TRP A 50 6.485 -2.945 2.302 1.00 0.00 N ATOM 773 CA TRP A 50 6.938 -2.140 1.178 1.00 0.00 C ATOM 774 C TRP A 50 6.968 -0.672 1.580 1.00 0.00 C ATOM 775 O TRP A 50 7.929 0.043 1.296 1.00 0.00 O ATOM 776 CB TRP A 50 6.016 -2.337 -0.028 1.00 0.00 C ATOM 777 CG TRP A 50 6.457 -1.580 -1.244 1.00 0.00 C ATOM 778 CD1 TRP A 50 7.659 -1.685 -1.883 1.00 0.00 C ATOM 779 CD2 TRP A 50 5.700 -0.603 -1.968 1.00 0.00 C ATOM 780 NE1 TRP A 50 7.696 -0.832 -2.960 1.00 0.00 N ATOM 781 CE2 TRP A 50 6.506 -0.157 -3.033 1.00 0.00 C ATOM 782 CE3 TRP A 50 4.420 -0.062 -1.820 1.00 0.00 C ATOM 783 CZ2 TRP A 50 6.072 0.804 -3.944 1.00 0.00 C ATOM 784 CZ3 TRP A 50 3.991 0.892 -2.725 1.00 0.00 C ATOM 785 CH2 TRP A 50 4.815 1.315 -3.775 1.00 0.00 C ATOM 0 H TRP A 50 5.579 -3.393 2.163 1.00 0.00 H new ATOM 0 HA TRP A 50 7.943 -2.457 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.966 -3.399 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.007 -2.023 0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.463 -2.342 -1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.482 -0.720 -3.601 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.777 -0.383 -1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.706 1.133 -4.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.004 1.318 -2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.450 2.061 -4.466 1.00 0.00 H new ATOM 796 N ARG A 51 5.912 -0.234 2.263 1.00 0.00 N ATOM 797 CA ARG A 51 5.825 1.147 2.726 1.00 0.00 C ATOM 798 C ARG A 51 6.939 1.441 3.722 1.00 0.00 C ATOM 799 O ARG A 51 7.461 2.555 3.781 1.00 0.00 O ATOM 800 CB ARG A 51 4.471 1.410 3.384 1.00 0.00 C ATOM 801 CG ARG A 51 3.989 2.841 3.220 1.00 0.00 C ATOM 802 CD ARG A 51 4.582 3.750 4.285 1.00 0.00 C ATOM 803 NE ARG A 51 5.204 4.938 3.704 1.00 0.00 N ATOM 804 CZ ARG A 51 6.240 5.577 4.245 1.00 0.00 C ATOM 805 NH1 ARG A 51 6.773 5.155 5.386 1.00 0.00 N ATOM 806 NH2 ARG A 51 6.744 6.646 3.644 1.00 0.00 N ATOM 0 H ARG A 51 5.109 -0.813 2.507 1.00 0.00 H new ATOM 0 HA ARG A 51 5.932 1.802 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.730 0.734 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.540 1.177 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.264 3.208 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.901 2.869 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.799 4.053 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.324 3.197 4.862 1.00 0.00 H new ATOM 0 HE ARG A 51 4.821 5.300 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.389 4.335 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.566 5.651 5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.338 6.978 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.537 7.137 4.057 1.00 0.00 H new ATOM 820 N LYS A 52 7.296 0.428 4.503 1.00 0.00 N ATOM 821 CA LYS A 52 8.348 0.561 5.503 1.00 0.00 C ATOM 822 C LYS A 52 9.705 0.710 4.830 1.00 0.00 C ATOM 823 O LYS A 52 10.602 1.372 5.351 1.00 0.00 O ATOM 824 CB LYS A 52 8.355 -0.654 6.433 1.00 0.00 C ATOM 825 CG LYS A 52 7.223 -0.649 7.449 1.00 0.00 C ATOM 826 CD LYS A 52 6.856 -2.057 7.892 1.00 0.00 C ATOM 827 CE LYS A 52 8.063 -2.810 8.433 1.00 0.00 C ATOM 828 NZ LYS A 52 7.754 -3.508 9.712 1.00 0.00 N ATOM 0 H LYS A 52 6.870 -0.498 4.462 1.00 0.00 H new ATOM 0 HA LYS A 52 8.150 1.455 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.289 -1.561 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.307 -0.691 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.517 -0.060 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.348 -0.164 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.084 -2.007 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.433 -2.605 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.398 -3.538 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.886 -2.113 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.601 -4.009 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.458 -2.811 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.986 -4.192 9.557 1.00 0.00 H new ATOM 842 N SER A 53 9.839 0.103 3.657 1.00 0.00 N ATOM 843 CA SER A 53 11.075 0.178 2.892 1.00 0.00 C ATOM 844 C SER A 53 10.984 1.284 1.844 1.00 0.00 C ATOM 845 O SER A 53 11.970 1.607 1.181 1.00 0.00 O ATOM 846 CB SER A 53 11.368 -1.162 2.216 1.00 0.00 C ATOM 847 OG SER A 53 10.546 -1.350 1.077 1.00 0.00 O ATOM 0 H SER A 53 9.103 -0.448 3.215 1.00 0.00 H new ATOM 0 HA SER A 53 11.890 0.409 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.417 -1.203 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.204 -1.974 2.925 1.00 0.00 H new ATOM 0 HG SER A 53 9.675 -0.927 1.229 1.00 0.00 H new ATOM 853 N LEU A 54 9.790 1.864 1.700 1.00 0.00 N ATOM 854 CA LEU A 54 9.566 2.936 0.734 1.00 0.00 C ATOM 855 C LEU A 54 10.633 4.021 0.858 1.00 0.00 C ATOM 856 O LEU A 54 11.061 4.551 -0.189 1.00 0.00 O ATOM 857 CB LEU A 54 8.177 3.547 0.937 1.00 0.00 C ATOM 858 CG LEU A 54 7.414 3.866 -0.349 1.00 0.00 C ATOM 859 CD1 LEU A 54 8.123 4.960 -1.133 1.00 0.00 C ATOM 860 CD2 LEU A 54 7.256 2.614 -1.198 1.00 0.00 C ATOM 861 OXT LEU A 54 11.031 4.332 2.000 1.00 0.00 O ATOM 0 H LEU A 54 8.965 1.607 2.242 1.00 0.00 H new ATOM 0 HA LEU A 54 9.629 2.507 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.579 2.860 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.282 4.465 1.516 1.00 0.00 H new ATOM 0 HG LEU A 54 6.421 4.227 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.566 5.174 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.184 5.863 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.129 4.629 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.711 2.859 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.240 2.224 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.704 1.861 -0.636 1.00 0.00 H new TER 873 LEU A 54