USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 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 88 HIS : no HD1:sc= -17.2! C(o=-17!,f=-17!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 101 TYR OH : rot 155:sc= 0.0782 USER MOD Set 2.1: A 21 MET CE :methyl 173:sc= -0.107 (180deg=-0.0572) USER MOD Set 2.2: A 83 HIS :FLIP no HE2:sc= -35.6! C(o=-38!,f=-36!) USER MOD Set 3.1: A 41 MET CE :methyl -153:sc= -4.74! (180deg=-5.89!) USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -107:sc= -23.4! (180deg=-26.5!) USER MOD Set 4.2: A 80 MET CE :methyl 151:sc= -10.6! (180deg=-11.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -130:sc= -0.203 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.011) USER MOD Single : A 33 SER OG : rot -101:sc= 0.881 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.48! C(o=-6.5!,f=-6.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -47:sc= 0.174 USER MOD Single : A 63 HIS : no HD1:sc= -22.4! C(o=-22!,f=-32!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 51:sc= -15.6! USER MOD Single : A 78 SER OG : rot 105:sc= 0.377 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.498) USER MOD Single : A 91 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -4:sc= 1.89 USER MOD Single : A 96 SER OG : rot 27:sc= 0.0863 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.0211 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.735 11.249 -5.499 1.00 0.00 N ATOM 28 CA PRO A 14 5.902 11.067 -4.663 1.00 0.00 C ATOM 29 C PRO A 14 6.334 9.608 -4.699 1.00 0.00 C ATOM 30 O PRO A 14 7.337 9.240 -4.092 1.00 0.00 O ATOM 31 CB PRO A 14 5.445 11.468 -3.261 1.00 0.00 C ATOM 32 CG PRO A 14 3.959 11.113 -3.275 1.00 0.00 C ATOM 33 CD PRO A 14 3.545 11.460 -4.703 1.00 0.00 C ATOM 0 HA PRO A 14 6.756 11.660 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.984 10.921 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.606 12.529 -3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.792 10.060 -3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.398 11.689 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.726 10.826 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.200 12.491 -4.774 1.00 0.00 H new ATOM 41 N LEU A 15 5.572 8.776 -5.414 1.00 0.00 N ATOM 42 CA LEU A 15 5.878 7.364 -5.524 1.00 0.00 C ATOM 43 C LEU A 15 5.720 6.913 -6.969 1.00 0.00 C ATOM 44 O LEU A 15 5.346 7.704 -7.832 1.00 0.00 O ATOM 45 CB LEU A 15 4.953 6.570 -4.606 1.00 0.00 C ATOM 46 CG LEU A 15 4.836 7.283 -3.262 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.932 6.476 -2.335 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.221 7.415 -2.635 1.00 0.00 C ATOM 0 H LEU A 15 4.738 9.066 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 15 6.910 7.187 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.969 6.469 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.343 5.562 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 15 4.409 8.275 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.848 6.985 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.943 6.381 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.358 5.484 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.139 7.924 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.648 6.424 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.867 7.992 -3.297 1.00 0.00 H new ATOM 60 N THR A 16 6.006 5.636 -7.233 1.00 0.00 N ATOM 61 CA THR A 16 5.893 5.091 -8.571 1.00 0.00 C ATOM 62 C THR A 16 5.673 3.586 -8.502 1.00 0.00 C ATOM 63 O THR A 16 4.807 3.050 -9.190 1.00 0.00 O ATOM 64 CB THR A 16 7.157 5.416 -9.361 1.00 0.00 C ATOM 65 OG1 THR A 16 7.774 6.559 -8.811 1.00 0.00 O ATOM 66 CG2 THR A 16 6.792 5.687 -10.818 1.00 0.00 C ATOM 0 H THR A 16 6.318 4.966 -6.530 1.00 0.00 H new ATOM 0 HA THR A 16 5.038 5.539 -9.077 1.00 0.00 H new ATOM 0 HB THR A 16 7.844 4.571 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.587 6.767 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.695 5.919 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.315 4.804 -11.244 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.105 6.531 -10.870 1.00 0.00 H new ATOM 74 N VAL A 17 6.460 2.906 -7.666 1.00 0.00 N ATOM 75 CA VAL A 17 6.349 1.469 -7.509 1.00 0.00 C ATOM 76 C VAL A 17 7.541 0.944 -6.722 1.00 0.00 C ATOM 77 O VAL A 17 7.420 -0.033 -5.986 1.00 0.00 O ATOM 78 CB VAL A 17 6.277 0.813 -8.885 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.320 -0.297 -8.974 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.885 0.222 -9.093 1.00 0.00 C ATOM 0 H VAL A 17 7.182 3.337 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 17 5.440 1.227 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 17 6.474 1.559 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.269 -0.766 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.314 0.125 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.123 -1.044 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.832 -0.247 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.688 -0.524 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.140 1.015 -9.029 1.00 0.00 H new ATOM 90 N LYS A 18 8.697 1.595 -6.879 1.00 0.00 N ATOM 91 CA LYS A 18 9.901 1.189 -6.183 1.00 0.00 C ATOM 92 C LYS A 18 10.474 2.368 -5.409 1.00 0.00 C ATOM 93 O LYS A 18 11.690 2.515 -5.307 1.00 0.00 O ATOM 94 CB LYS A 18 10.917 0.660 -7.192 1.00 0.00 C ATOM 95 CG LYS A 18 10.558 -0.773 -7.571 1.00 0.00 C ATOM 96 CD LYS A 18 11.836 -1.578 -7.791 1.00 0.00 C ATOM 97 CE LYS A 18 11.679 -2.452 -9.032 1.00 0.00 C ATOM 98 NZ LYS A 18 12.980 -2.692 -9.675 1.00 0.00 N ATOM 0 H LYS A 18 8.815 2.406 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 18 9.665 0.396 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.926 1.291 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.920 0.695 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.959 -1.230 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.951 -0.780 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.686 -0.906 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.042 -2.199 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.225 -3.404 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.004 -1.969 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.847 -3.289 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.400 -1.784 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.614 -3.174 -9.006 1.00 0.00 H new ATOM 112 N SER A 19 9.593 3.210 -4.863 1.00 0.00 N ATOM 113 CA SER A 19 10.015 4.368 -4.102 1.00 0.00 C ATOM 114 C SER A 19 10.326 3.960 -2.669 1.00 0.00 C ATOM 115 O SER A 19 9.679 4.426 -1.734 1.00 0.00 O ATOM 116 CB SER A 19 8.915 5.426 -4.136 1.00 0.00 C ATOM 117 OG SER A 19 9.182 6.348 -5.169 1.00 0.00 O ATOM 0 H SER A 19 8.582 3.103 -4.939 1.00 0.00 H new ATOM 0 HA SER A 19 10.919 4.787 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.946 4.954 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.862 5.942 -3.178 1.00 0.00 H new ATOM 0 HG SER A 19 9.119 7.261 -4.817 1.00 0.00 H new ATOM 123 N ASP A 20 11.322 3.087 -2.499 1.00 0.00 N ATOM 124 CA ASP A 20 11.713 2.621 -1.184 1.00 0.00 C ATOM 125 C ASP A 20 10.501 2.059 -0.455 1.00 0.00 C ATOM 126 O ASP A 20 9.667 2.815 0.039 1.00 0.00 O ATOM 127 CB ASP A 20 12.330 3.775 -0.399 1.00 0.00 C ATOM 128 CG ASP A 20 13.837 3.603 -0.273 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.525 3.877 -1.280 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.272 3.201 0.827 1.00 0.00 O ATOM 0 H ASP A 20 11.869 2.693 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 20 12.454 1.828 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.108 4.719 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.882 3.826 0.593 1.00 0.00 H new ATOM 136 N MET A 21 10.404 0.729 -0.387 1.00 0.00 N ATOM 137 CA MET A 21 9.294 0.078 0.279 1.00 0.00 C ATOM 138 C MET A 21 9.021 0.757 1.614 1.00 0.00 C ATOM 139 O MET A 21 7.905 0.700 2.125 1.00 0.00 O ATOM 140 CB MET A 21 9.619 -1.399 0.481 1.00 0.00 C ATOM 141 CG MET A 21 10.834 -1.532 1.394 1.00 0.00 C ATOM 142 SD MET A 21 12.076 -2.707 0.798 1.00 0.00 S ATOM 143 CE MET A 21 13.334 -1.535 0.231 1.00 0.00 C ATOM 0 H MET A 21 11.088 0.088 -0.789 1.00 0.00 H new ATOM 0 HA MET A 21 8.398 0.159 -0.337 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.764 -1.914 0.919 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.819 -1.873 -0.480 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.300 -0.553 1.508 1.00 0.00 H new ATOM 0 HG3 MET A 21 10.500 -1.843 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.234 -2.078 -0.058 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.954 -0.980 -0.627 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.573 -0.840 1.036 1.00 0.00 H new ATOM 153 N SER A 22 10.046 1.400 2.178 1.00 0.00 N ATOM 154 CA SER A 22 9.911 2.086 3.447 1.00 0.00 C ATOM 155 C SER A 22 9.080 3.348 3.266 1.00 0.00 C ATOM 156 O SER A 22 8.237 3.664 4.102 1.00 0.00 O ATOM 157 CB SER A 22 11.296 2.423 3.992 1.00 0.00 C ATOM 158 OG SER A 22 11.170 2.988 5.278 1.00 0.00 O ATOM 0 H SER A 22 10.978 1.455 1.767 1.00 0.00 H new ATOM 0 HA SER A 22 9.401 1.440 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.910 1.523 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.801 3.121 3.324 1.00 0.00 H new ATOM 0 HG SER A 22 12.059 3.203 5.629 1.00 0.00 H new ATOM 164 N ALA A 23 9.320 4.070 2.169 1.00 0.00 N ATOM 165 CA ALA A 23 8.596 5.292 1.884 1.00 0.00 C ATOM 166 C ALA A 23 7.165 4.962 1.485 1.00 0.00 C ATOM 167 O ALA A 23 6.250 5.742 1.744 1.00 0.00 O ATOM 168 CB ALA A 23 9.306 6.056 0.770 1.00 0.00 C ATOM 0 H ALA A 23 10.015 3.820 1.466 1.00 0.00 H new ATOM 0 HA ALA A 23 8.568 5.919 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.762 6.976 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.320 6.300 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.344 5.439 -0.128 1.00 0.00 H new ATOM 174 N ILE A 24 6.972 3.802 0.853 1.00 0.00 N ATOM 175 CA ILE A 24 5.657 3.373 0.423 1.00 0.00 C ATOM 176 C ILE A 24 4.803 3.034 1.636 1.00 0.00 C ATOM 177 O ILE A 24 3.729 3.603 1.819 1.00 0.00 O ATOM 178 CB ILE A 24 5.793 2.163 -0.498 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.509 2.577 -1.781 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.406 1.626 -0.840 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.756 3.734 -2.432 1.00 0.00 C ATOM 0 H ILE A 24 7.721 3.146 0.631 1.00 0.00 H new ATOM 0 HA ILE A 24 5.169 4.178 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 24 6.370 1.387 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.534 2.875 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.565 1.733 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.502 0.762 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.895 1.330 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.829 2.402 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.266 4.031 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.739 3.419 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.724 4.580 -1.745 1.00 0.00 H new ATOM 193 N VAL A 25 5.283 2.106 2.467 1.00 0.00 N ATOM 194 CA VAL A 25 4.563 1.697 3.656 1.00 0.00 C ATOM 195 C VAL A 25 4.306 2.907 4.543 1.00 0.00 C ATOM 196 O VAL A 25 3.208 3.069 5.071 1.00 0.00 O ATOM 197 CB VAL A 25 5.374 0.642 4.403 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.644 0.253 5.685 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.542 -0.590 3.519 1.00 0.00 C ATOM 0 H VAL A 25 6.173 1.627 2.330 1.00 0.00 H new ATOM 0 HA VAL A 25 3.602 1.266 3.375 1.00 0.00 H new ATOM 0 HB VAL A 25 6.355 1.047 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.223 -0.501 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.524 1.133 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.663 -0.152 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.121 -1.344 4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.561 -0.995 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.064 -0.312 2.603 1.00 0.00 H new ATOM 209 N ARG A 26 5.322 3.758 4.704 1.00 0.00 N ATOM 210 CA ARG A 26 5.201 4.946 5.524 1.00 0.00 C ATOM 211 C ARG A 26 4.039 5.797 5.032 1.00 0.00 C ATOM 212 O ARG A 26 3.234 6.273 5.829 1.00 0.00 O ATOM 213 CB ARG A 26 6.507 5.734 5.472 1.00 0.00 C ATOM 214 CG ARG A 26 7.350 5.402 6.701 1.00 0.00 C ATOM 215 CD ARG A 26 8.829 5.568 6.362 1.00 0.00 C ATOM 216 NE ARG A 26 9.502 6.412 7.350 1.00 0.00 N ATOM 217 CZ ARG A 26 10.774 6.812 7.216 1.00 0.00 C ATOM 218 NH1 ARG A 26 11.484 6.440 6.141 1.00 0.00 N ATOM 219 NH2 ARG A 26 11.336 7.584 8.155 1.00 0.00 N ATOM 0 H ARG A 26 6.238 3.638 4.272 1.00 0.00 H new ATOM 0 HA ARG A 26 5.004 4.660 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.057 5.488 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.298 6.803 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.080 6.058 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.153 4.380 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.309 4.590 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.931 6.010 5.371 1.00 0.00 H new ATOM 0 HE ARG A 26 8.981 6.708 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.056 5.853 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.452 6.744 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.796 7.868 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.304 7.888 8.053 1.00 0.00 H new ATOM 233 N VAL A 27 3.953 5.987 3.713 1.00 0.00 N ATOM 234 CA VAL A 27 2.892 6.777 3.122 1.00 0.00 C ATOM 235 C VAL A 27 1.539 6.202 3.518 1.00 0.00 C ATOM 236 O VAL A 27 0.767 6.853 4.217 1.00 0.00 O ATOM 237 CB VAL A 27 3.052 6.787 1.604 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.830 7.445 0.968 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.305 7.574 1.231 1.00 0.00 C ATOM 0 H VAL A 27 4.613 5.599 3.039 1.00 0.00 H new ATOM 0 HA VAL A 27 2.950 7.802 3.487 1.00 0.00 H new ATOM 0 HB VAL A 27 3.144 5.763 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.944 7.452 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.934 6.884 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.738 8.469 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.420 7.582 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.213 8.598 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.178 7.105 1.685 1.00 0.00 H new ATOM 249 N MET A 28 1.254 4.977 3.070 1.00 0.00 N ATOM 250 CA MET A 28 -0.002 4.325 3.380 1.00 0.00 C ATOM 251 C MET A 28 -0.378 4.587 4.831 1.00 0.00 C ATOM 252 O MET A 28 -1.537 4.856 5.136 1.00 0.00 O ATOM 253 CB MET A 28 0.125 2.828 3.117 1.00 0.00 C ATOM 254 CG MET A 28 0.685 2.603 1.715 1.00 0.00 C ATOM 255 SD MET A 28 0.025 1.135 0.886 1.00 0.00 S ATOM 256 CE MET A 28 0.940 -0.141 1.786 1.00 0.00 C ATOM 0 H MET A 28 1.884 4.423 2.490 1.00 0.00 H new ATOM 0 HA MET A 28 -0.790 4.728 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.780 2.372 3.859 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.849 2.347 3.213 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.471 3.480 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.770 2.516 1.778 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.711 -0.560 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.405 0.299 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.255 -0.931 2.093 1.00 0.00 H new ATOM 266 N GLN A 29 0.609 4.508 5.727 1.00 0.00 N ATOM 267 CA GLN A 29 0.378 4.735 7.140 1.00 0.00 C ATOM 268 C GLN A 29 -0.139 6.150 7.357 1.00 0.00 C ATOM 269 O GLN A 29 -1.121 6.352 8.068 1.00 0.00 O ATOM 270 CB GLN A 29 1.676 4.509 7.909 1.00 0.00 C ATOM 271 CG GLN A 29 1.716 3.077 8.433 1.00 0.00 C ATOM 272 CD GLN A 29 3.057 2.774 9.085 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.679 1.757 8.788 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.502 3.662 9.978 1.00 0.00 N ATOM 0 H GLN A 29 1.576 4.287 5.489 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.373 4.035 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.532 4.694 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.747 5.213 8.738 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.914 2.928 9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.540 2.381 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.949 4.492 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.395 3.510 10.447 1.00 0.00 H new ATOM 283 N LEU A 30 0.526 7.131 6.742 1.00 0.00 N ATOM 284 CA LEU A 30 0.131 8.520 6.871 1.00 0.00 C ATOM 285 C LEU A 30 -1.387 8.630 6.857 1.00 0.00 C ATOM 286 O LEU A 30 -2.051 7.974 6.057 1.00 0.00 O ATOM 287 CB LEU A 30 0.742 9.329 5.730 1.00 0.00 C ATOM 288 CG LEU A 30 2.262 9.321 5.858 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.884 9.864 4.575 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.678 10.198 7.036 1.00 0.00 C ATOM 0 H LEU A 30 1.342 6.980 6.149 1.00 0.00 H new ATOM 0 HA LEU A 30 0.495 8.918 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.445 8.906 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.370 10.353 5.756 1.00 0.00 H new ATOM 0 HG LEU A 30 2.607 8.301 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.970 9.858 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.587 9.238 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.539 10.884 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.764 10.193 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.333 11.218 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.234 9.810 7.953 1.00 0.00 H new ATOM 302 N PRO A 31 -1.934 9.461 7.746 1.00 0.00 N ATOM 303 CA PRO A 31 -3.357 9.694 7.877 1.00 0.00 C ATOM 304 C PRO A 31 -3.850 10.518 6.696 1.00 0.00 C ATOM 305 O PRO A 31 -5.033 10.842 6.614 1.00 0.00 O ATOM 306 CB PRO A 31 -3.508 10.467 9.185 1.00 0.00 C ATOM 307 CG PRO A 31 -2.192 11.237 9.277 1.00 0.00 C ATOM 308 CD PRO A 31 -1.183 10.247 8.701 1.00 0.00 C ATOM 0 HA PRO A 31 -3.939 8.772 7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.368 11.137 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.646 9.800 10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.224 12.163 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.952 11.508 10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.353 10.764 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.757 9.618 9.482 1.00 0.00 H new ATOM 316 N ASP A 32 -2.939 10.858 5.782 1.00 0.00 N ATOM 317 CA ASP A 32 -3.285 11.644 4.614 1.00 0.00 C ATOM 318 C ASP A 32 -2.693 11.002 3.368 1.00 0.00 C ATOM 319 O ASP A 32 -2.238 11.700 2.465 1.00 0.00 O ATOM 320 CB ASP A 32 -2.766 13.068 4.788 1.00 0.00 C ATOM 321 CG ASP A 32 -3.801 13.943 5.481 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.882 14.127 4.881 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.491 14.413 6.597 1.00 0.00 O ATOM 0 H ASP A 32 -1.955 10.596 5.836 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.369 11.678 4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.846 13.055 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.520 13.491 3.814 1.00 0.00 H new ATOM 329 N SER A 33 -2.700 9.668 3.320 1.00 0.00 N ATOM 330 CA SER A 33 -2.165 8.942 2.186 1.00 0.00 C ATOM 331 C SER A 33 -3.305 8.418 1.324 1.00 0.00 C ATOM 332 O SER A 33 -3.252 8.511 0.099 1.00 0.00 O ATOM 333 CB SER A 33 -1.292 7.793 2.684 1.00 0.00 C ATOM 334 OG SER A 33 -1.922 7.165 3.779 1.00 0.00 O ATOM 0 H SER A 33 -3.074 9.075 4.061 1.00 0.00 H new ATOM 0 HA SER A 33 -1.553 9.609 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.128 7.073 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.312 8.168 2.980 1.00 0.00 H new ATOM 0 HG SER A 33 -1.507 7.468 4.613 1.00 0.00 H new ATOM 340 N GLY A 34 -4.338 7.868 1.965 1.00 0.00 N ATOM 341 CA GLY A 34 -5.481 7.336 1.251 1.00 0.00 C ATOM 342 C GLY A 34 -5.891 5.992 1.837 1.00 0.00 C ATOM 343 O GLY A 34 -7.077 5.674 1.898 1.00 0.00 O ATOM 0 H GLY A 34 -4.399 7.783 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.314 8.036 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.237 7.221 0.195 1.00 0.00 H new ATOM 347 N LEU A 35 -4.905 5.202 2.269 1.00 0.00 N ATOM 348 CA LEU A 35 -5.166 3.899 2.847 1.00 0.00 C ATOM 349 C LEU A 35 -5.591 4.055 4.300 1.00 0.00 C ATOM 350 O LEU A 35 -6.686 3.642 4.677 1.00 0.00 O ATOM 351 CB LEU A 35 -3.913 3.036 2.739 1.00 0.00 C ATOM 352 CG LEU A 35 -4.242 1.607 3.163 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.710 1.314 2.868 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.362 0.631 2.388 1.00 0.00 C ATOM 0 H LEU A 35 -3.917 5.451 2.225 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.975 3.411 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.539 3.046 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.123 3.442 3.371 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.057 1.493 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.945 0.294 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.339 2.011 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.896 1.428 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.597 -0.390 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.546 0.744 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.313 0.840 2.599 1.00 0.00 H new ATOM 366 N GLU A 36 -4.721 4.652 5.118 1.00 0.00 N ATOM 367 CA GLU A 36 -5.013 4.858 6.522 1.00 0.00 C ATOM 368 C GLU A 36 -4.929 3.535 7.270 1.00 0.00 C ATOM 369 O GLU A 36 -5.908 2.795 7.339 1.00 0.00 O ATOM 370 CB GLU A 36 -6.402 5.474 6.666 1.00 0.00 C ATOM 371 CG GLU A 36 -6.275 6.901 7.190 1.00 0.00 C ATOM 372 CD GLU A 36 -6.928 7.890 6.236 1.00 0.00 C ATOM 373 OE1 GLU A 36 -6.696 7.740 5.017 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.647 8.778 6.744 1.00 0.00 O ATOM 0 H GLU A 36 -3.808 4.999 4.823 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.280 5.540 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.913 5.473 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.007 4.877 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.742 6.975 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.222 7.153 7.317 1.00 0.00 H new ATOM 382 N ILE A 37 -3.754 3.240 7.832 1.00 0.00 N ATOM 383 CA ILE A 37 -3.546 2.012 8.573 1.00 0.00 C ATOM 384 C ILE A 37 -3.813 2.252 10.052 1.00 0.00 C ATOM 385 O ILE A 37 -2.980 2.828 10.749 1.00 0.00 O ATOM 386 CB ILE A 37 -2.118 1.521 8.352 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.697 1.810 6.914 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.052 0.018 8.610 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.372 0.812 5.976 1.00 0.00 C ATOM 0 H ILE A 37 -2.934 3.844 7.782 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.237 1.247 8.219 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.446 2.037 9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.974 2.828 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.613 1.739 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.032 -0.334 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.352 -0.188 9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.724 -0.499 7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.072 1.018 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.072 -0.201 6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.454 0.905 6.063 1.00 0.00 H new ATOM 401 N ARG A 38 -4.977 1.808 10.530 1.00 0.00 N ATOM 402 CA ARG A 38 -5.347 1.978 11.921 1.00 0.00 C ATOM 403 C ARG A 38 -6.747 1.428 12.153 1.00 0.00 C ATOM 404 O ARG A 38 -7.034 0.882 13.216 1.00 0.00 O ATOM 405 CB ARG A 38 -5.281 3.457 12.288 1.00 0.00 C ATOM 406 CG ARG A 38 -4.065 3.707 13.175 1.00 0.00 C ATOM 407 CD ARG A 38 -3.281 4.903 12.640 1.00 0.00 C ATOM 408 NE ARG A 38 -2.266 5.337 13.600 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.655 6.527 13.522 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.969 7.377 12.535 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.732 6.868 14.431 1.00 0.00 N ATOM 0 H ARG A 38 -5.677 1.327 9.965 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.652 1.428 12.555 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.217 4.064 11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.191 3.755 12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.382 3.896 14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.429 2.822 13.196 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.804 4.637 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.964 5.726 12.431 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.013 4.707 14.361 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.673 7.118 11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.504 8.283 12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.494 6.222 15.183 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.267 7.774 14.371 1.00 0.00 H new ATOM 425 N ASP A 39 -7.621 1.572 11.153 1.00 0.00 N ATOM 426 CA ASP A 39 -8.984 1.091 11.254 1.00 0.00 C ATOM 427 C ASP A 39 -9.462 0.610 9.891 1.00 0.00 C ATOM 428 O ASP A 39 -9.238 1.276 8.883 1.00 0.00 O ATOM 429 CB ASP A 39 -9.880 2.209 11.778 1.00 0.00 C ATOM 430 CG ASP A 39 -9.158 3.034 12.834 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.997 2.505 13.955 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.781 4.178 12.501 1.00 0.00 O ATOM 0 H ASP A 39 -7.399 2.021 10.264 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.028 0.253 11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.185 2.853 10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.789 1.783 12.202 1.00 0.00 H new ATOM 438 N ARG A 40 -10.122 -0.550 9.863 1.00 0.00 N ATOM 439 CA ARG A 40 -10.626 -1.113 8.627 1.00 0.00 C ATOM 440 C ARG A 40 -11.821 -2.009 8.918 1.00 0.00 C ATOM 441 O ARG A 40 -12.223 -2.156 10.070 1.00 0.00 O ATOM 442 CB ARG A 40 -9.516 -1.900 7.937 1.00 0.00 C ATOM 443 CG ARG A 40 -8.621 -0.941 7.158 1.00 0.00 C ATOM 444 CD ARG A 40 -8.466 -1.440 5.724 1.00 0.00 C ATOM 445 NE ARG A 40 -9.270 -0.640 4.800 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.043 0.663 4.582 1.00 0.00 C ATOM 447 NH1 ARG A 40 -8.045 1.286 5.224 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.815 1.343 3.724 1.00 0.00 N ATOM 0 H ARG A 40 -10.316 -1.113 10.691 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.951 -0.311 7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.928 -2.444 8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.946 -2.641 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.053 0.060 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.644 -0.868 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.417 -1.395 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.769 -2.485 5.664 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.036 -1.093 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.458 0.769 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.872 2.277 5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.576 0.869 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.642 2.334 3.558 1.00 0.00 H new ATOM 462 N MET A 41 -12.390 -2.610 7.870 1.00 0.00 N ATOM 463 CA MET A 41 -13.534 -3.485 8.021 1.00 0.00 C ATOM 464 C MET A 41 -13.295 -4.786 7.268 1.00 0.00 C ATOM 465 O MET A 41 -12.785 -4.774 6.150 1.00 0.00 O ATOM 466 CB MET A 41 -14.784 -2.782 7.499 1.00 0.00 C ATOM 467 CG MET A 41 -15.334 -1.854 8.579 1.00 0.00 C ATOM 468 SD MET A 41 -17.142 -1.790 8.642 1.00 0.00 S ATOM 469 CE MET A 41 -17.468 -3.455 9.273 1.00 0.00 C ATOM 0 H MET A 41 -12.069 -2.500 6.908 1.00 0.00 H new ATOM 0 HA MET A 41 -13.677 -3.720 9.076 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.545 -2.212 6.601 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.538 -3.518 7.218 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.958 -2.179 9.549 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.951 -0.848 8.409 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.454 -3.782 8.943 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.712 -4.142 8.894 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.435 -3.444 10.362 1.00 0.00 H new ATOM 479 N TRP A 42 -13.665 -5.911 7.884 1.00 0.00 N ATOM 480 CA TRP A 42 -13.489 -7.210 7.266 1.00 0.00 C ATOM 481 C TRP A 42 -14.407 -8.228 7.928 1.00 0.00 C ATOM 482 O TRP A 42 -14.492 -8.286 9.153 1.00 0.00 O ATOM 483 CB TRP A 42 -12.029 -7.638 7.389 1.00 0.00 C ATOM 484 CG TRP A 42 -11.703 -8.954 6.759 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.113 -9.994 7.387 1.00 0.00 C ATOM 486 CD2 TRP A 42 -11.935 -9.395 5.387 1.00 0.00 C ATOM 487 NE1 TRP A 42 -10.965 -11.042 6.503 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.456 -10.726 5.253 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.501 -8.807 4.242 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.533 -11.435 4.051 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.584 -9.510 3.031 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.102 -10.821 2.932 1.00 0.00 C ATOM 0 H TRP A 42 -14.088 -5.940 8.812 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.749 -7.151 6.209 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.401 -6.870 6.937 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.767 -7.683 8.446 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.805 -10.003 8.422 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.545 -11.940 6.744 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.878 -7.797 4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.157 -12.446 3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.024 -9.035 2.166 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.170 -11.355 1.996 1.00 0.00 H new ATOM 503 N LEU A 43 -15.094 -9.032 7.114 1.00 0.00 N ATOM 504 CA LEU A 43 -16.001 -10.042 7.623 1.00 0.00 C ATOM 505 C LEU A 43 -17.222 -9.376 8.241 1.00 0.00 C ATOM 506 O LEU A 43 -17.895 -9.968 9.082 1.00 0.00 O ATOM 507 CB LEU A 43 -15.275 -10.904 8.652 1.00 0.00 C ATOM 508 CG LEU A 43 -14.818 -12.203 7.997 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.299 -12.194 7.853 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.241 -13.386 8.863 1.00 0.00 C ATOM 0 H LEU A 43 -15.033 -8.996 6.096 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.336 -10.680 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.417 -10.365 9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -15.936 -11.121 9.492 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.275 -12.293 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.972 -13.123 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.997 -11.350 7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.841 -12.103 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.914 -14.315 8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.785 -13.297 9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.326 -13.393 8.965 1.00 0.00 H new ATOM 522 N LYS A 44 -17.507 -8.141 7.821 1.00 0.00 N ATOM 523 CA LYS A 44 -18.644 -7.404 8.336 1.00 0.00 C ATOM 524 C LYS A 44 -18.363 -6.947 9.760 1.00 0.00 C ATOM 525 O LYS A 44 -19.288 -6.645 10.511 1.00 0.00 O ATOM 526 CB LYS A 44 -19.886 -8.289 8.287 1.00 0.00 C ATOM 527 CG LYS A 44 -20.261 -8.561 6.833 1.00 0.00 C ATOM 528 CD LYS A 44 -21.663 -8.025 6.560 1.00 0.00 C ATOM 529 CE LYS A 44 -21.882 -7.918 5.053 1.00 0.00 C ATOM 530 NZ LYS A 44 -23.237 -7.432 4.750 1.00 0.00 N ATOM 0 H LYS A 44 -16.959 -7.637 7.124 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.818 -6.521 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.697 -9.228 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.714 -7.801 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.542 -8.085 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.224 -9.631 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.409 -8.686 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.788 -7.048 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.144 -7.241 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.729 -8.893 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.361 -7.368 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.938 -8.092 5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.371 -6.492 5.174 1.00 0.00 H new ATOM 544 N ILE A 45 -17.081 -6.895 10.130 1.00 0.00 N ATOM 545 CA ILE A 45 -16.683 -6.474 11.458 1.00 0.00 C ATOM 546 C ILE A 45 -15.794 -5.242 11.363 1.00 0.00 C ATOM 547 O ILE A 45 -15.473 -4.790 10.266 1.00 0.00 O ATOM 548 CB ILE A 45 -15.951 -7.618 12.155 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.533 -8.951 11.694 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.121 -7.484 13.666 1.00 0.00 C ATOM 551 CD1 ILE A 45 -15.661 -10.092 12.210 1.00 0.00 C ATOM 0 H ILE A 45 -16.303 -7.143 9.518 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.566 -6.216 12.043 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.891 -7.578 11.903 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.552 -9.062 12.064 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.583 -8.981 10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.599 -8.300 14.165 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.705 -6.532 13.996 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.181 -7.524 13.918 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.076 -11.045 11.881 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -14.650 -9.983 11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -15.634 -10.065 13.299 1.00 0.00 H new ATOM 563 N THR A 46 -15.396 -4.699 12.515 1.00 0.00 N ATOM 564 CA THR A 46 -14.547 -3.525 12.551 1.00 0.00 C ATOM 565 C THR A 46 -13.311 -3.804 13.394 1.00 0.00 C ATOM 566 O THR A 46 -13.420 -4.283 14.520 1.00 0.00 O ATOM 567 CB THR A 46 -15.334 -2.347 13.118 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.246 -1.881 12.148 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.370 -1.224 13.491 1.00 0.00 C ATOM 0 H THR A 46 -15.653 -5.061 13.433 1.00 0.00 H new ATOM 0 HA THR A 46 -14.222 -3.277 11.541 1.00 0.00 H new ATOM 0 HB THR A 46 -15.880 -2.667 14.006 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.753 -1.125 12.512 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.931 -0.382 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.665 -1.584 14.240 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.825 -0.903 12.604 1.00 0.00 H new ATOM 577 N ILE A 47 -12.132 -3.501 12.844 1.00 0.00 N ATOM 578 CA ILE A 47 -10.882 -3.717 13.544 1.00 0.00 C ATOM 579 C ILE A 47 -10.144 -2.395 13.700 1.00 0.00 C ATOM 580 O ILE A 47 -10.268 -1.510 12.856 1.00 0.00 O ATOM 581 CB ILE A 47 -10.034 -4.724 12.772 1.00 0.00 C ATOM 582 CG1 ILE A 47 -10.873 -5.958 12.453 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.831 -5.130 13.618 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.513 -5.797 11.077 1.00 0.00 C ATOM 0 H ILE A 47 -12.027 -3.104 11.911 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.081 -4.118 14.538 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.688 -4.271 11.843 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.248 -6.851 12.473 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.645 -6.092 13.211 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.225 -5.849 13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.231 -4.248 13.845 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.176 -5.583 14.548 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.112 -6.678 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.151 -4.913 11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.733 -5.684 10.324 1.00 0.00 H new ATOM 596 N ALA A 48 -9.374 -2.262 14.782 1.00 0.00 N ATOM 597 CA ALA A 48 -8.623 -1.051 15.042 1.00 0.00 C ATOM 598 C ALA A 48 -7.178 -1.237 14.602 1.00 0.00 C ATOM 599 O ALA A 48 -6.254 -0.927 15.351 1.00 0.00 O ATOM 600 CB ALA A 48 -8.697 -0.717 16.530 1.00 0.00 C ATOM 0 H ALA A 48 -9.260 -2.987 15.490 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.051 -0.224 14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.132 0.194 16.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.738 -0.568 16.818 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.274 -1.538 17.109 1.00 0.00 H new ATOM 606 N ASN A 49 -6.983 -1.744 13.383 1.00 0.00 N ATOM 607 CA ASN A 49 -5.653 -1.967 12.852 1.00 0.00 C ATOM 608 C ASN A 49 -5.680 -3.112 11.850 1.00 0.00 C ATOM 609 O ASN A 49 -5.612 -4.278 12.233 1.00 0.00 O ATOM 610 CB ASN A 49 -4.695 -2.275 13.999 1.00 0.00 C ATOM 611 CG ASN A 49 -5.351 -3.189 15.024 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.064 -4.121 14.660 1.00 0.00 O ATOM 613 ND2 ASN A 49 -5.105 -2.922 16.309 1.00 0.00 N ATOM 0 H ASN A 49 -7.738 -2.006 12.749 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.308 -1.070 12.337 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.794 -2.748 13.608 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.386 -1.347 14.479 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.516 -3.504 17.039 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.506 -2.136 16.561 1.00 0.00 H new ATOM 620 N ALA A 50 -5.778 -2.776 10.561 1.00 0.00 N ATOM 621 CA ALA A 50 -5.813 -3.774 9.512 1.00 0.00 C ATOM 622 C ALA A 50 -5.487 -3.126 8.173 1.00 0.00 C ATOM 623 O ALA A 50 -5.576 -1.909 8.033 1.00 0.00 O ATOM 624 CB ALA A 50 -7.192 -4.425 9.476 1.00 0.00 C ATOM 0 H ALA A 50 -5.834 -1.814 10.227 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.068 -4.544 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.219 -5.176 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.395 -4.900 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.948 -3.665 9.280 1.00 0.00 H new ATOM 630 N VAL A 51 -5.108 -3.945 7.189 1.00 0.00 N ATOM 631 CA VAL A 51 -4.771 -3.449 5.870 1.00 0.00 C ATOM 632 C VAL A 51 -4.243 -4.590 5.011 1.00 0.00 C ATOM 633 O VAL A 51 -4.793 -4.875 3.949 1.00 0.00 O ATOM 634 CB VAL A 51 -3.731 -2.340 5.994 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.428 -0.983 5.967 1.00 0.00 C ATOM 636 CG2 VAL A 51 -2.975 -2.497 7.311 1.00 0.00 C ATOM 0 H VAL A 51 -5.029 -4.957 7.290 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.661 -3.041 5.392 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.030 -2.405 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.685 -0.190 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.968 -0.870 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.129 -0.918 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.232 -1.705 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.676 -2.432 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.477 -3.466 7.331 1.00 0.00 H new ATOM 646 N ILE A 52 -3.174 -5.242 5.473 1.00 0.00 N ATOM 647 CA ILE A 52 -2.578 -6.347 4.750 1.00 0.00 C ATOM 648 C ILE A 52 -2.260 -5.918 3.325 1.00 0.00 C ATOM 649 O ILE A 52 -2.631 -4.823 2.907 1.00 0.00 O ATOM 650 CB ILE A 52 -3.537 -7.535 4.756 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.739 -8.833 4.826 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.374 -7.519 3.480 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.604 -9.929 5.443 1.00 0.00 C ATOM 0 H ILE A 52 -2.707 -5.015 6.351 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.649 -6.645 5.235 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.195 -7.467 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.416 -9.128 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.838 -8.687 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.059 -8.367 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.945 -6.592 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.717 -7.587 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.034 -10.857 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.905 -9.633 6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.492 -10.081 4.829 1.00 0.00 H new ATOM 665 N GLY A 53 -1.570 -6.783 2.577 1.00 0.00 N ATOM 666 CA GLY A 53 -1.209 -6.484 1.206 1.00 0.00 C ATOM 667 C GLY A 53 -2.453 -6.157 0.391 1.00 0.00 C ATOM 668 O GLY A 53 -2.392 -5.373 -0.553 1.00 0.00 O ATOM 0 H GLY A 53 -1.254 -7.695 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.517 -5.642 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.691 -7.336 0.765 1.00 0.00 H new ATOM 672 N ALA A 54 -3.585 -6.762 0.760 1.00 0.00 N ATOM 673 CA ALA A 54 -4.835 -6.535 0.064 1.00 0.00 C ATOM 674 C ALA A 54 -5.105 -5.041 -0.036 1.00 0.00 C ATOM 675 O ALA A 54 -5.138 -4.486 -1.133 1.00 0.00 O ATOM 676 CB ALA A 54 -5.965 -7.240 0.808 1.00 0.00 C ATOM 0 H ALA A 54 -3.652 -7.414 1.542 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.773 -6.941 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.906 -7.070 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.761 -8.310 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.036 -6.844 1.821 1.00 0.00 H new ATOM 682 N ASP A 55 -5.299 -4.389 1.112 1.00 0.00 N ATOM 683 CA ASP A 55 -5.567 -2.965 1.147 1.00 0.00 C ATOM 684 C ASP A 55 -4.359 -2.202 0.623 1.00 0.00 C ATOM 685 O ASP A 55 -4.499 -1.315 -0.216 1.00 0.00 O ATOM 686 CB ASP A 55 -5.893 -2.545 2.577 1.00 0.00 C ATOM 687 CG ASP A 55 -6.958 -1.457 2.594 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.883 -1.581 3.426 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.827 -0.522 1.775 1.00 0.00 O ATOM 0 H ASP A 55 -5.274 -4.834 2.029 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.422 -2.735 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.241 -3.409 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.990 -2.183 3.069 1.00 0.00 H new ATOM 695 N VAL A 56 -3.169 -2.548 1.120 1.00 0.00 N ATOM 696 CA VAL A 56 -1.945 -1.895 0.701 1.00 0.00 C ATOM 697 C VAL A 56 -1.904 -1.805 -0.818 1.00 0.00 C ATOM 698 O VAL A 56 -1.469 -0.797 -1.370 1.00 0.00 O ATOM 699 CB VAL A 56 -0.746 -2.677 1.229 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.542 -1.959 0.838 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.833 -2.775 2.750 1.00 0.00 C ATOM 0 H VAL A 56 -3.036 -3.282 1.816 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.909 -0.884 1.107 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.748 -3.679 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.399 -2.517 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.604 -1.889 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.545 -0.957 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.023 -3.334 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.831 -1.773 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.753 -3.288 3.029 1.00 0.00 H new ATOM 711 N VAL A 57 -2.360 -2.864 -1.493 1.00 0.00 N ATOM 712 CA VAL A 57 -2.373 -2.899 -2.941 1.00 0.00 C ATOM 713 C VAL A 57 -3.394 -1.902 -3.471 1.00 0.00 C ATOM 714 O VAL A 57 -3.033 -0.939 -4.142 1.00 0.00 O ATOM 715 CB VAL A 57 -2.702 -4.313 -3.412 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.978 -4.299 -4.912 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.521 -5.234 -3.120 1.00 0.00 C ATOM 0 H VAL A 57 -2.724 -3.707 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.391 -2.622 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.584 -4.675 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.213 -5.309 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.822 -3.642 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.096 -3.936 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.755 -6.244 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.638 -4.872 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.324 -5.245 -2.048 1.00 0.00 H new ATOM 727 N ASP A 58 -4.673 -2.136 -3.167 1.00 0.00 N ATOM 728 CA ASP A 58 -5.737 -1.260 -3.614 1.00 0.00 C ATOM 729 C ASP A 58 -5.290 0.190 -3.505 1.00 0.00 C ATOM 730 O ASP A 58 -5.747 1.041 -4.265 1.00 0.00 O ATOM 731 CB ASP A 58 -6.985 -1.507 -2.770 1.00 0.00 C ATOM 732 CG ASP A 58 -7.602 -2.859 -3.095 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.041 -3.542 -3.979 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.624 -3.186 -2.453 1.00 0.00 O ATOM 0 H ASP A 58 -4.989 -2.930 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.973 -1.469 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.727 -1.466 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.714 -0.717 -2.952 1.00 0.00 H new ATOM 740 N TRP A 59 -4.394 0.472 -2.556 1.00 0.00 N ATOM 741 CA TRP A 59 -3.893 1.818 -2.358 1.00 0.00 C ATOM 742 C TRP A 59 -2.862 2.149 -3.428 1.00 0.00 C ATOM 743 O TRP A 59 -3.135 2.932 -4.335 1.00 0.00 O ATOM 744 CB TRP A 59 -3.281 1.932 -0.965 1.00 0.00 C ATOM 745 CG TRP A 59 -3.009 3.329 -0.509 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.938 4.193 -0.044 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.739 4.048 -0.465 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.334 5.389 0.283 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.975 5.354 0.042 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.411 3.730 -0.802 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.953 6.293 0.206 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.622 4.664 -0.641 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.356 5.943 -0.138 1.00 0.00 C ATOM 0 H TRP A 59 -4.005 -0.221 -1.916 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.714 2.531 -2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.952 1.456 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.346 1.371 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.992 3.980 0.056 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.830 6.199 0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.183 2.749 -1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.172 7.277 0.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.633 4.394 -0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.158 6.656 -0.016 1.00 0.00 H new ATOM 764 N LEU A 60 -1.674 1.550 -3.320 1.00 0.00 N ATOM 765 CA LEU A 60 -0.610 1.783 -4.276 1.00 0.00 C ATOM 766 C LEU A 60 -1.199 2.003 -5.662 1.00 0.00 C ATOM 767 O LEU A 60 -0.744 2.872 -6.402 1.00 0.00 O ATOM 768 CB LEU A 60 0.343 0.592 -4.276 1.00 0.00 C ATOM 769 CG LEU A 60 0.973 0.444 -2.894 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.703 -0.893 -2.807 1.00 0.00 C ATOM 771 CD2 LEU A 60 1.963 1.581 -2.661 1.00 0.00 C ATOM 0 H LEU A 60 -1.432 0.898 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.053 2.677 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.195 -0.318 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.119 0.734 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 60 0.193 0.481 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.153 -0.998 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.995 -1.705 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.483 -0.932 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.413 1.475 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.743 1.545 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.441 2.536 -2.721 1.00 0.00 H new ATOM 783 N TYR A 61 -2.215 1.210 -6.013 1.00 0.00 N ATOM 784 CA TYR A 61 -2.857 1.322 -7.306 1.00 0.00 C ATOM 785 C TYR A 61 -3.740 2.562 -7.339 1.00 0.00 C ATOM 786 O TYR A 61 -3.662 3.356 -8.274 1.00 0.00 O ATOM 787 CB TYR A 61 -3.681 0.065 -7.573 1.00 0.00 C ATOM 788 CG TYR A 61 -4.507 0.143 -8.835 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.811 0.649 -8.787 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.969 -0.292 -10.052 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.578 0.720 -9.957 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.735 -0.221 -11.221 1.00 0.00 C ATOM 793 CZ TYR A 61 -6.040 0.285 -11.174 1.00 0.00 C ATOM 794 OH TYR A 61 -6.786 0.355 -12.313 1.00 0.00 O ATOM 0 H TYR A 61 -2.605 0.484 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.101 1.419 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.011 -0.792 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.343 -0.113 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.226 0.985 -7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.963 -0.682 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.584 1.110 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.320 -0.557 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.263 0.014 -13.068 1.00 0.00 H new ATOM 804 N THR A 62 -4.581 2.727 -6.316 1.00 0.00 N ATOM 805 CA THR A 62 -5.469 3.868 -6.236 1.00 0.00 C ATOM 806 C THR A 62 -4.713 5.078 -5.705 1.00 0.00 C ATOM 807 O THR A 62 -5.321 6.076 -5.326 1.00 0.00 O ATOM 808 CB THR A 62 -6.651 3.530 -5.333 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.705 4.434 -5.580 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.222 3.636 -3.872 1.00 0.00 C ATOM 0 H THR A 62 -4.659 2.078 -5.533 1.00 0.00 H new ATOM 0 HA THR A 62 -5.845 4.109 -7.230 1.00 0.00 H new ATOM 0 HB THR A 62 -6.987 2.514 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.354 5.349 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.066 3.395 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.407 2.938 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.885 4.652 -3.664 1.00 0.00 H new ATOM 818 N HIS A 63 -3.381 4.987 -5.678 1.00 0.00 N ATOM 819 CA HIS A 63 -2.553 6.073 -5.192 1.00 0.00 C ATOM 820 C HIS A 63 -1.660 6.588 -6.312 1.00 0.00 C ATOM 821 O HIS A 63 -1.919 7.647 -6.879 1.00 0.00 O ATOM 822 CB HIS A 63 -1.715 5.584 -4.014 1.00 0.00 C ATOM 823 CG HIS A 63 -1.580 6.617 -2.930 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.411 7.218 -2.522 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.598 7.128 -2.171 1.00 0.00 C ATOM 826 CE1 HIS A 63 -0.725 8.075 -1.535 1.00 0.00 C ATOM 827 NE2 HIS A 63 -2.045 8.057 -1.284 1.00 0.00 N ATOM 0 H HIS A 63 -2.860 4.167 -5.989 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.187 6.894 -4.856 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.169 4.685 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.723 5.305 -4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.642 6.861 -2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.011 8.695 -1.013 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.543 8.610 -0.587 1.00 0.00 H new ATOM 835 N VAL A 64 -0.606 5.833 -6.631 1.00 0.00 N ATOM 836 CA VAL A 64 0.319 6.215 -7.679 1.00 0.00 C ATOM 837 C VAL A 64 0.326 5.154 -8.770 1.00 0.00 C ATOM 838 O VAL A 64 -0.515 4.258 -8.772 1.00 0.00 O ATOM 839 CB VAL A 64 1.714 6.390 -7.086 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.729 7.611 -6.171 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.085 5.147 -6.282 1.00 0.00 C ATOM 0 H VAL A 64 -0.379 4.951 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 64 0.005 7.161 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 64 2.435 6.531 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.726 7.736 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.465 8.499 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.007 7.471 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.082 5.272 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.364 5.006 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.075 4.275 -6.935 1.00 0.00 H new ATOM 851 N GLU A 65 1.279 5.257 -9.700 1.00 0.00 N ATOM 852 CA GLU A 65 1.387 4.306 -10.788 1.00 0.00 C ATOM 853 C GLU A 65 2.852 3.996 -11.063 1.00 0.00 C ATOM 854 O GLU A 65 3.740 4.647 -10.516 1.00 0.00 O ATOM 855 CB GLU A 65 0.713 4.878 -12.032 1.00 0.00 C ATOM 856 CG GLU A 65 1.318 6.241 -12.357 1.00 0.00 C ATOM 857 CD GLU A 65 1.468 6.424 -13.860 1.00 0.00 C ATOM 858 OE1 GLU A 65 2.432 5.847 -14.408 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.616 7.137 -14.433 1.00 0.00 O ATOM 0 H GLU A 65 1.984 5.994 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 65 0.886 3.378 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.845 4.199 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.360 4.975 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.685 7.030 -11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.292 6.335 -11.876 1.00 0.00 H new ATOM 867 N GLY A 66 3.104 3.000 -11.915 1.00 0.00 N ATOM 868 CA GLY A 66 4.459 2.614 -12.255 1.00 0.00 C ATOM 869 C GLY A 66 4.538 1.110 -12.481 1.00 0.00 C ATOM 870 O GLY A 66 5.504 0.617 -13.059 1.00 0.00 O ATOM 0 H GLY A 66 2.380 2.450 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.780 3.141 -13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.139 2.905 -11.454 1.00 0.00 H new ATOM 874 N PHE A 67 3.517 0.382 -12.024 1.00 0.00 N ATOM 875 CA PHE A 67 3.478 -1.058 -12.179 1.00 0.00 C ATOM 876 C PHE A 67 2.744 -1.420 -13.462 1.00 0.00 C ATOM 877 O PHE A 67 1.669 -0.891 -13.735 1.00 0.00 O ATOM 878 CB PHE A 67 2.789 -1.680 -10.968 1.00 0.00 C ATOM 879 CG PHE A 67 3.316 -1.172 -9.647 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.687 -1.231 -9.371 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.433 -0.644 -8.697 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.176 -0.762 -8.146 1.00 0.00 C ATOM 883 CE2 PHE A 67 2.922 -0.174 -7.472 1.00 0.00 C ATOM 884 CZ PHE A 67 4.293 -0.233 -7.197 1.00 0.00 C ATOM 0 H PHE A 67 2.708 0.776 -11.543 1.00 0.00 H new ATOM 0 HA PHE A 67 4.494 -1.448 -12.243 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.719 -1.478 -11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.911 -2.762 -11.007 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.368 -1.639 -10.104 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.375 -0.599 -8.909 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.234 -0.808 -7.933 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.241 0.234 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.670 0.130 -6.252 1.00 0.00 H new ATOM 894 N LYS A 68 3.329 -2.324 -14.252 1.00 0.00 N ATOM 895 CA LYS A 68 2.727 -2.749 -15.500 1.00 0.00 C ATOM 896 C LYS A 68 1.221 -2.884 -15.330 1.00 0.00 C ATOM 897 O LYS A 68 0.453 -2.236 -16.037 1.00 0.00 O ATOM 898 CB LYS A 68 3.343 -4.077 -15.934 1.00 0.00 C ATOM 899 CG LYS A 68 4.562 -3.808 -16.811 1.00 0.00 C ATOM 900 CD LYS A 68 5.833 -3.974 -15.982 1.00 0.00 C ATOM 901 CE LYS A 68 7.053 -3.775 -16.876 1.00 0.00 C ATOM 902 NZ LYS A 68 7.958 -4.933 -16.799 1.00 0.00 N ATOM 0 H LYS A 68 4.221 -2.772 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 68 2.919 -2.003 -16.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.632 -4.659 -15.059 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.610 -4.668 -16.483 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.574 -4.496 -17.656 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.512 -2.800 -17.222 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.845 -3.251 -15.166 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.858 -4.965 -15.530 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.732 -3.628 -17.907 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.585 -2.872 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.780 -4.773 -17.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.280 -5.057 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.454 -5.789 -17.109 1.00 0.00 H new ATOM 916 N GLU A 69 0.798 -3.730 -14.387 1.00 0.00 N ATOM 917 CA GLU A 69 -0.612 -3.943 -14.131 1.00 0.00 C ATOM 918 C GLU A 69 -0.801 -4.576 -12.760 1.00 0.00 C ATOM 919 O GLU A 69 0.109 -4.558 -11.934 1.00 0.00 O ATOM 920 CB GLU A 69 -1.198 -4.833 -15.223 1.00 0.00 C ATOM 921 CG GLU A 69 -2.649 -4.438 -15.477 1.00 0.00 C ATOM 922 CD GLU A 69 -3.565 -5.651 -15.391 1.00 0.00 C ATOM 923 OE1 GLU A 69 -4.334 -5.712 -14.407 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.479 -6.494 -16.309 1.00 0.00 O ATOM 0 H GLU A 69 1.421 -4.276 -13.791 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.134 -2.986 -14.141 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.617 -4.733 -16.140 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.142 -5.879 -14.923 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.960 -3.690 -14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.738 -3.979 -16.462 1.00 0.00 H new ATOM 932 N ARG A 70 -1.988 -5.139 -12.520 1.00 0.00 N ATOM 933 CA ARG A 70 -2.291 -5.774 -11.253 1.00 0.00 C ATOM 934 C ARG A 70 -1.139 -6.679 -10.841 1.00 0.00 C ATOM 935 O ARG A 70 -0.952 -6.949 -9.657 1.00 0.00 O ATOM 936 CB ARG A 70 -3.585 -6.572 -11.383 1.00 0.00 C ATOM 937 CG ARG A 70 -4.127 -6.892 -9.992 1.00 0.00 C ATOM 938 CD ARG A 70 -4.743 -8.289 -9.995 1.00 0.00 C ATOM 939 NE ARG A 70 -5.398 -8.576 -8.719 1.00 0.00 N ATOM 940 CZ ARG A 70 -6.144 -9.671 -8.517 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.313 -10.559 -9.506 1.00 0.00 N ATOM 942 NH2 ARG A 70 -6.720 -9.879 -7.325 1.00 0.00 N ATOM 0 H ARG A 70 -2.752 -5.163 -13.195 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.423 -5.014 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.321 -6.002 -11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.402 -7.494 -11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.325 -6.838 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.875 -6.154 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.467 -8.369 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.968 -9.032 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.282 -7.915 -7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.874 -10.402 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.881 -11.392 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.591 -9.204 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.288 -10.712 -7.171 1.00 0.00 H new ATOM 956 N ARG A 71 -0.365 -7.147 -11.823 1.00 0.00 N ATOM 957 CA ARG A 71 0.763 -8.017 -11.558 1.00 0.00 C ATOM 958 C ARG A 71 1.854 -7.243 -10.833 1.00 0.00 C ATOM 959 O ARG A 71 2.036 -7.404 -9.628 1.00 0.00 O ATOM 960 CB ARG A 71 1.287 -8.584 -12.875 1.00 0.00 C ATOM 961 CG ARG A 71 1.366 -10.105 -12.779 1.00 0.00 C ATOM 962 CD ARG A 71 0.393 -10.729 -13.775 1.00 0.00 C ATOM 963 NE ARG A 71 0.765 -10.398 -15.151 1.00 0.00 N ATOM 964 CZ ARG A 71 0.385 -11.137 -16.202 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.367 -12.230 -16.017 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.759 -10.783 -17.440 1.00 0.00 N ATOM 0 H ARG A 71 -0.507 -6.932 -12.810 1.00 0.00 H new ATOM 0 HA ARG A 71 0.447 -8.843 -10.921 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.630 -8.294 -13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.272 -8.171 -13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.382 -10.441 -12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.125 -10.429 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.382 -11.812 -13.648 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.617 -10.374 -13.572 1.00 0.00 H new ATOM 0 HE ARG A 71 1.337 -9.570 -15.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.651 -12.500 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.656 -12.792 -16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.333 -9.951 -17.581 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.470 -11.345 -18.240 1.00 0.00 H new ATOM 980 N GLU A 72 2.580 -6.399 -11.570 1.00 0.00 N ATOM 981 CA GLU A 72 3.646 -5.605 -10.991 1.00 0.00 C ATOM 982 C GLU A 72 3.202 -5.039 -9.649 1.00 0.00 C ATOM 983 O GLU A 72 3.976 -5.015 -8.695 1.00 0.00 O ATOM 984 CB GLU A 72 4.022 -4.483 -11.953 1.00 0.00 C ATOM 985 CG GLU A 72 5.100 -4.977 -12.914 1.00 0.00 C ATOM 986 CD GLU A 72 6.475 -4.916 -12.266 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.814 -3.827 -11.755 1.00 0.00 O ATOM 988 OE2 GLU A 72 7.162 -5.960 -12.293 1.00 0.00 O ATOM 0 H GLU A 72 2.442 -6.254 -12.570 1.00 0.00 H new ATOM 0 HA GLU A 72 4.521 -6.233 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.144 -4.158 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.384 -3.618 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.881 -6.001 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.093 -4.369 -13.819 1.00 0.00 H new ATOM 996 N ALA A 73 1.949 -4.583 -9.578 1.00 0.00 N ATOM 997 CA ALA A 73 1.408 -4.020 -8.357 1.00 0.00 C ATOM 998 C ALA A 73 1.508 -5.039 -7.232 1.00 0.00 C ATOM 999 O ALA A 73 2.095 -4.760 -6.189 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.043 -3.608 -8.587 1.00 0.00 C ATOM 0 H ALA A 73 1.294 -4.597 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 73 1.981 -3.137 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.451 -3.184 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.088 -2.863 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.628 -4.482 -8.875 1.00 0.00 H new ATOM 1006 N ARG A 74 0.930 -6.224 -7.444 1.00 0.00 N ATOM 1007 CA ARG A 74 0.955 -7.277 -6.449 1.00 0.00 C ATOM 1008 C ARG A 74 2.394 -7.681 -6.162 1.00 0.00 C ATOM 1009 O ARG A 74 2.691 -8.208 -5.092 1.00 0.00 O ATOM 1010 CB ARG A 74 0.149 -8.471 -6.952 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.189 -9.387 -5.780 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.564 -10.010 -6.001 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.464 -11.460 -6.167 1.00 0.00 N ATOM 1014 CZ ARG A 74 -2.416 -12.191 -6.762 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -3.519 -11.595 -7.236 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -2.267 -13.517 -6.883 1.00 0.00 N ATOM 0 H ARG A 74 0.439 -6.470 -8.303 1.00 0.00 H new ATOM 0 HA ARG A 74 0.507 -6.917 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.766 -8.128 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.720 -9.018 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.565 -10.168 -5.686 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.180 -8.821 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.211 -9.781 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.028 -9.571 -6.884 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.633 -11.935 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.633 -10.586 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.244 -12.151 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.428 -13.971 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.993 -14.072 -7.336 1.00 0.00 H new ATOM 1030 N LYS A 75 3.289 -7.433 -7.121 1.00 0.00 N ATOM 1031 CA LYS A 75 4.689 -7.772 -6.964 1.00 0.00 C ATOM 1032 C LYS A 75 5.324 -6.877 -5.909 1.00 0.00 C ATOM 1033 O LYS A 75 6.093 -7.347 -5.073 1.00 0.00 O ATOM 1034 CB LYS A 75 5.402 -7.616 -8.304 1.00 0.00 C ATOM 1035 CG LYS A 75 5.440 -8.964 -9.019 1.00 0.00 C ATOM 1036 CD LYS A 75 6.790 -9.632 -8.775 1.00 0.00 C ATOM 1037 CE LYS A 75 7.615 -9.596 -10.058 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.717 -8.628 -9.949 1.00 0.00 N ATOM 0 H LYS A 75 3.059 -6.997 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 75 4.781 -8.807 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.885 -6.880 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.415 -7.246 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.635 -9.603 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.279 -8.825 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.322 -9.119 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.645 -10.663 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.017 -10.588 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.975 -9.330 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.263 -8.622 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.329 -7.679 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.339 -8.897 -9.160 1.00 0.00 H new ATOM 1052 N TYR A 76 5.000 -5.582 -5.949 1.00 0.00 N ATOM 1053 CA TYR A 76 5.541 -4.631 -4.999 1.00 0.00 C ATOM 1054 C TYR A 76 4.981 -4.911 -3.612 1.00 0.00 C ATOM 1055 O TYR A 76 5.734 -5.012 -2.645 1.00 0.00 O ATOM 1056 CB TYR A 76 5.193 -3.214 -5.447 1.00 0.00 C ATOM 1057 CG TYR A 76 5.778 -2.141 -4.560 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.117 -2.219 -4.157 1.00 0.00 C ATOM 1059 CD2 TYR A 76 4.982 -1.068 -4.140 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.659 -1.224 -3.335 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.525 -0.074 -3.318 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.863 -0.152 -2.915 1.00 0.00 C ATOM 1063 OH TYR A 76 7.392 0.817 -2.113 1.00 0.00 O ATOM 0 H TYR A 76 4.363 -5.176 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 76 6.626 -4.730 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.550 -3.066 -6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.109 -3.105 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.731 -3.046 -4.480 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.949 -1.008 -4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.692 -1.283 -3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.911 0.754 -2.994 1.00 0.00 H new ATOM 0 HH TYR A 76 8.228 1.146 -2.505 1.00 0.00 H new ATOM 1073 N ALA A 77 3.656 -5.036 -3.515 1.00 0.00 N ATOM 1074 CA ALA A 77 3.003 -5.303 -2.250 1.00 0.00 C ATOM 1075 C ALA A 77 3.617 -6.536 -1.603 1.00 0.00 C ATOM 1076 O ALA A 77 3.968 -6.512 -0.425 1.00 0.00 O ATOM 1077 CB ALA A 77 1.508 -5.501 -2.481 1.00 0.00 C ATOM 0 H ALA A 77 3.019 -4.955 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 77 3.144 -4.456 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.016 -5.702 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.086 -4.599 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.352 -6.344 -3.155 1.00 0.00 H new ATOM 1083 N SER A 78 3.746 -7.617 -2.376 1.00 0.00 N ATOM 1084 CA SER A 78 4.317 -8.850 -1.875 1.00 0.00 C ATOM 1085 C SER A 78 5.725 -8.595 -1.356 1.00 0.00 C ATOM 1086 O SER A 78 6.103 -9.104 -0.303 1.00 0.00 O ATOM 1087 CB SER A 78 4.332 -9.893 -2.989 1.00 0.00 C ATOM 1088 OG SER A 78 3.045 -9.989 -3.559 1.00 0.00 O ATOM 0 H SER A 78 3.459 -7.654 -3.354 1.00 0.00 H new ATOM 0 HA SER A 78 3.711 -9.226 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.060 -9.616 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.639 -10.861 -2.592 1.00 0.00 H new ATOM 0 HG SER A 78 3.039 -9.541 -4.430 1.00 0.00 H new ATOM 1094 N SER A 79 6.502 -7.803 -2.099 1.00 0.00 N ATOM 1095 CA SER A 79 7.860 -7.483 -1.710 1.00 0.00 C ATOM 1096 C SER A 79 7.854 -6.705 -0.402 1.00 0.00 C ATOM 1097 O SER A 79 8.794 -6.801 0.385 1.00 0.00 O ATOM 1098 CB SER A 79 8.529 -6.674 -2.817 1.00 0.00 C ATOM 1099 OG SER A 79 9.252 -7.541 -3.662 1.00 0.00 O ATOM 0 H SER A 79 6.204 -7.374 -2.975 1.00 0.00 H new ATOM 0 HA SER A 79 8.424 -8.403 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.777 -6.133 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.197 -5.929 -2.385 1.00 0.00 H new ATOM 0 HG SER A 79 9.680 -7.022 -4.374 1.00 0.00 H new ATOM 1105 N MET A 80 6.790 -5.933 -0.169 1.00 0.00 N ATOM 1106 CA MET A 80 6.669 -5.145 1.041 1.00 0.00 C ATOM 1107 C MET A 80 6.390 -6.056 2.227 1.00 0.00 C ATOM 1108 O MET A 80 6.906 -5.831 3.320 1.00 0.00 O ATOM 1109 CB MET A 80 5.550 -4.122 0.870 1.00 0.00 C ATOM 1110 CG MET A 80 6.101 -2.719 1.112 1.00 0.00 C ATOM 1111 SD MET A 80 4.835 -1.426 1.131 1.00 0.00 S ATOM 1112 CE MET A 80 3.760 -2.091 2.427 1.00 0.00 C ATOM 0 H MET A 80 6.002 -5.843 -0.810 1.00 0.00 H new ATOM 0 HA MET A 80 7.603 -4.616 1.229 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.130 -4.191 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.741 -4.332 1.569 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.632 -2.707 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.831 -2.487 0.336 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.254 -1.271 2.936 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.019 -2.754 1.980 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.359 -2.650 3.146 1.00 0.00 H new ATOM 1122 N LEU A 81 5.571 -7.087 2.010 1.00 0.00 N ATOM 1123 CA LEU A 81 5.228 -8.027 3.059 1.00 0.00 C ATOM 1124 C LEU A 81 6.486 -8.719 3.564 1.00 0.00 C ATOM 1125 O LEU A 81 6.710 -8.803 4.769 1.00 0.00 O ATOM 1126 CB LEU A 81 4.228 -9.046 2.521 1.00 0.00 C ATOM 1127 CG LEU A 81 3.751 -9.941 3.661 1.00 0.00 C ATOM 1128 CD1 LEU A 81 4.910 -10.802 4.152 1.00 0.00 C ATOM 1129 CD2 LEU A 81 3.240 -9.073 4.808 1.00 0.00 C ATOM 0 H LEU A 81 5.135 -7.286 1.110 1.00 0.00 H new ATOM 0 HA LEU A 81 4.771 -7.495 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.380 -8.534 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.691 -9.649 1.740 1.00 0.00 H new ATOM 0 HG LEU A 81 2.947 -10.585 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.569 -11.441 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.275 -11.422 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.715 -10.159 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.899 -9.711 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.045 -8.429 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.411 -8.458 4.458 1.00 0.00 H new ATOM 1141 N LYS A 82 7.308 -9.217 2.637 1.00 0.00 N ATOM 1142 CA LYS A 82 8.536 -9.898 2.994 1.00 0.00 C ATOM 1143 C LYS A 82 9.513 -8.912 3.619 1.00 0.00 C ATOM 1144 O LYS A 82 10.156 -9.222 4.619 1.00 0.00 O ATOM 1145 CB LYS A 82 9.140 -10.541 1.748 1.00 0.00 C ATOM 1146 CG LYS A 82 8.745 -12.014 1.693 1.00 0.00 C ATOM 1147 CD LYS A 82 7.226 -12.130 1.606 1.00 0.00 C ATOM 1148 CE LYS A 82 6.744 -13.230 2.547 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.010 -14.562 1.982 1.00 0.00 N ATOM 0 H LYS A 82 7.137 -9.157 1.633 1.00 0.00 H new ATOM 0 HA LYS A 82 8.323 -10.678 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.789 -10.026 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.226 -10.445 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.207 -12.494 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.110 -12.533 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.762 -11.180 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.926 -12.355 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.244 -13.134 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.675 -13.115 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.232 -15.227 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.170 -14.895 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.817 -14.507 1.328 1.00 0.00 H new ATOM 1163 N HIS A 83 9.623 -7.721 3.027 1.00 0.00 N ATOM 1164 CA HIS A 83 10.522 -6.701 3.529 1.00 0.00 C ATOM 1165 C HIS A 83 10.484 -6.678 5.051 1.00 0.00 C ATOM 1166 O HIS A 83 11.474 -6.336 5.694 1.00 0.00 O ATOM 1167 CB HIS A 83 10.119 -5.344 2.958 1.00 0.00 C ATOM 1168 CG HIS A 83 11.288 -4.577 2.404 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.319 -4.042 3.129 1.00 0.00 N flip ATOM 1170 CD2 HIS A 83 11.514 -4.288 1.078 1.00 0.00 C flip ATOM 1171 CE1 HIS A 83 13.190 -3.415 2.233 1.00 0.00 C flip ATOM 1172 NE2 HIS A 83 12.662 -3.591 1.010 1.00 0.00 N flip ATOM 0 H HIS A 83 9.096 -7.447 2.198 1.00 0.00 H new ATOM 0 HA HIS A 83 11.542 -6.926 3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.380 -5.491 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.640 -4.754 3.739 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.431 -4.092 4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.886 -4.569 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.104 -2.894 2.475 1.00 0.00 H new ATOM 1180 N GLY A 84 9.336 -7.045 5.627 1.00 0.00 N ATOM 1181 CA GLY A 84 9.180 -7.063 7.067 1.00 0.00 C ATOM 1182 C GLY A 84 8.410 -5.834 7.530 1.00 0.00 C ATOM 1183 O GLY A 84 8.442 -5.485 8.708 1.00 0.00 O ATOM 0 H GLY A 84 8.505 -7.332 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.653 -7.967 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.159 -7.089 7.545 1.00 0.00 H new ATOM 1187 N PHE A 85 7.716 -5.177 6.598 1.00 0.00 N ATOM 1188 CA PHE A 85 6.943 -3.993 6.916 1.00 0.00 C ATOM 1189 C PHE A 85 5.478 -4.366 7.095 1.00 0.00 C ATOM 1190 O PHE A 85 4.617 -3.491 7.168 1.00 0.00 O ATOM 1191 CB PHE A 85 7.107 -2.966 5.800 1.00 0.00 C ATOM 1192 CG PHE A 85 8.401 -2.191 5.880 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.625 -2.857 5.746 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.376 -0.807 6.092 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.824 -2.139 5.822 1.00 0.00 C ATOM 1196 CE2 PHE A 85 9.576 -0.089 6.169 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.800 -0.755 6.034 1.00 0.00 C ATOM 0 H PHE A 85 7.679 -5.453 5.617 1.00 0.00 H new ATOM 0 HA PHE A 85 7.303 -3.558 7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.057 -3.476 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.271 -2.267 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.644 -3.925 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.432 -0.293 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.768 -2.653 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.557 0.978 6.333 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.725 -0.202 6.093 1.00 0.00 H new ATOM 1207 N LEU A 86 5.195 -5.669 7.167 1.00 0.00 N ATOM 1208 CA LEU A 86 3.839 -6.150 7.337 1.00 0.00 C ATOM 1209 C LEU A 86 3.857 -7.528 7.984 1.00 0.00 C ATOM 1210 O LEU A 86 4.503 -8.444 7.481 1.00 0.00 O ATOM 1211 CB LEU A 86 3.143 -6.199 5.980 1.00 0.00 C ATOM 1212 CG LEU A 86 2.323 -4.927 5.783 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.120 -4.678 4.291 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.966 -5.087 6.461 1.00 0.00 C ATOM 0 H LEU A 86 5.897 -6.406 7.109 1.00 0.00 H new ATOM 0 HA LEU A 86 3.288 -5.472 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.881 -6.296 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.496 -7.074 5.923 1.00 0.00 H new ATOM 0 HG LEU A 86 2.852 -4.082 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.534 -3.770 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.089 -4.564 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.591 -5.523 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.380 -4.179 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.437 -5.932 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.110 -5.265 7.527 1.00 0.00 H new ATOM 1226 N ARG A 87 3.143 -7.672 9.103 1.00 0.00 N ATOM 1227 CA ARG A 87 3.081 -8.934 9.812 1.00 0.00 C ATOM 1228 C ARG A 87 1.629 -9.355 9.989 1.00 0.00 C ATOM 1229 O ARG A 87 0.726 -8.525 9.910 1.00 0.00 O ATOM 1230 CB ARG A 87 3.771 -8.791 11.165 1.00 0.00 C ATOM 1231 CG ARG A 87 5.277 -8.665 10.957 1.00 0.00 C ATOM 1232 CD ARG A 87 5.940 -8.256 12.270 1.00 0.00 C ATOM 1233 NE ARG A 87 5.740 -6.831 12.537 1.00 0.00 N ATOM 1234 CZ ARG A 87 5.950 -6.282 13.741 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.362 -7.045 14.763 1.00 0.00 N ATOM 1236 NH2 ARG A 87 5.749 -4.970 13.924 1.00 0.00 N ATOM 0 H ARG A 87 2.601 -6.922 9.532 1.00 0.00 H new ATOM 0 HA ARG A 87 3.595 -9.704 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.391 -7.914 11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.551 -9.656 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.687 -9.613 10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.488 -7.925 10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.527 -8.845 13.089 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.007 -8.475 12.227 1.00 0.00 H new ATOM 0 HE ARG A 87 5.427 -6.230 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.516 -8.044 14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.522 -6.627 15.680 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.436 -4.389 13.147 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.909 -4.553 14.841 1.00 0.00 H new ATOM 1250 N HIS A 88 1.404 -10.648 10.232 1.00 0.00 N ATOM 1251 CA HIS A 88 0.063 -11.167 10.416 1.00 0.00 C ATOM 1252 C HIS A 88 -0.009 -11.974 11.705 1.00 0.00 C ATOM 1253 O HIS A 88 0.109 -11.419 12.795 1.00 0.00 O ATOM 1254 CB HIS A 88 -0.317 -12.030 9.217 1.00 0.00 C ATOM 1255 CG HIS A 88 -1.713 -12.581 9.317 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -2.803 -11.937 9.858 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -2.127 -13.813 8.888 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -3.852 -12.772 9.753 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -3.492 -13.927 9.170 1.00 0.00 N ATOM 0 H HIS A 88 2.141 -11.350 10.305 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.642 -10.339 10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.229 -11.438 8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.390 -12.855 9.130 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.510 -14.563 8.416 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.852 -12.544 10.093 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.093 -14.727 8.973 1.00 0.00 H new ATOM 1267 N THR A 89 -0.203 -13.289 11.579 1.00 0.00 N ATOM 1268 CA THR A 89 -0.288 -14.160 12.733 1.00 0.00 C ATOM 1269 C THR A 89 0.539 -15.415 12.498 1.00 0.00 C ATOM 1270 O THR A 89 0.481 -16.358 13.285 1.00 0.00 O ATOM 1271 CB THR A 89 -1.749 -14.516 12.994 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.240 -15.295 11.926 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.572 -13.237 13.111 1.00 0.00 C ATOM 0 H THR A 89 -0.303 -13.766 10.683 1.00 0.00 H new ATOM 0 HA THR A 89 0.110 -13.647 13.609 1.00 0.00 H new ATOM 0 HB THR A 89 -1.825 -15.082 13.922 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.178 -15.525 12.093 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.615 -13.491 13.297 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.192 -12.634 13.936 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.497 -12.670 12.183 1.00 0.00 H new ATOM 1281 N VAL A 90 1.312 -15.426 11.409 1.00 0.00 N ATOM 1282 CA VAL A 90 2.147 -16.562 11.075 1.00 0.00 C ATOM 1283 C VAL A 90 3.471 -16.465 11.819 1.00 0.00 C ATOM 1284 O VAL A 90 3.768 -15.441 12.430 1.00 0.00 O ATOM 1285 CB VAL A 90 2.376 -16.598 9.567 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.135 -16.070 8.851 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.576 -15.724 9.214 1.00 0.00 C ATOM 0 H VAL A 90 1.371 -14.653 10.746 1.00 0.00 H new ATOM 0 HA VAL A 90 1.650 -17.484 11.376 1.00 0.00 H new ATOM 0 HB VAL A 90 2.568 -17.624 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.298 -16.095 7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.277 -16.693 9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.943 -15.044 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.740 -15.749 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.384 -14.698 9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.463 -16.100 9.725 1.00 0.00 H new ATOM 1297 N ASN A 91 4.268 -17.535 11.767 1.00 0.00 N ATOM 1298 CA ASN A 91 5.553 -17.562 12.435 1.00 0.00 C ATOM 1299 C ASN A 91 6.455 -16.474 11.869 1.00 0.00 C ATOM 1300 O ASN A 91 6.876 -15.574 12.593 1.00 0.00 O ATOM 1301 CB ASN A 91 6.189 -18.938 12.255 1.00 0.00 C ATOM 1302 CG ASN A 91 6.227 -19.695 13.574 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.543 -19.324 14.525 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.029 -20.761 13.630 1.00 0.00 N ATOM 0 H ASN A 91 4.037 -18.392 11.265 1.00 0.00 H new ATOM 0 HA ASN A 91 5.416 -17.374 13.500 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.625 -19.510 11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.201 -18.827 11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.093 -21.307 14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.578 -21.030 12.813 1.00 0.00 H new ATOM 1311 N LYS A 92 6.751 -16.558 10.570 1.00 0.00 N ATOM 1312 CA LYS A 92 7.600 -15.582 9.916 1.00 0.00 C ATOM 1313 C LYS A 92 6.752 -14.438 9.378 1.00 0.00 C ATOM 1314 O LYS A 92 6.546 -13.439 10.063 1.00 0.00 O ATOM 1315 CB LYS A 92 8.375 -16.257 8.789 1.00 0.00 C ATOM 1316 CG LYS A 92 9.857 -16.305 9.149 1.00 0.00 C ATOM 1317 CD LYS A 92 10.352 -17.747 9.082 1.00 0.00 C ATOM 1318 CE LYS A 92 10.607 -18.131 7.627 1.00 0.00 C ATOM 1319 NZ LYS A 92 9.775 -19.277 7.230 1.00 0.00 N ATOM 0 H LYS A 92 6.410 -17.297 9.956 1.00 0.00 H new ATOM 0 HA LYS A 92 8.311 -15.174 10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.996 -17.266 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.234 -15.709 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.429 -15.681 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.012 -15.902 10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.267 -17.856 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.613 -18.417 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.393 -17.280 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.660 -18.377 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.967 -19.518 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.998 -20.094 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.770 -19.031 7.338 1.00 0.00 H new ATOM 1333 N ILE A 93 6.262 -14.586 8.145 1.00 0.00 N ATOM 1334 CA ILE A 93 5.440 -13.569 7.520 1.00 0.00 C ATOM 1335 C ILE A 93 4.521 -14.212 6.490 1.00 0.00 C ATOM 1336 O ILE A 93 3.308 -14.259 6.682 1.00 0.00 O ATOM 1337 CB ILE A 93 6.336 -12.521 6.867 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.637 -13.176 6.411 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.648 -11.419 7.876 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.748 -12.845 7.404 1.00 0.00 C ATOM 0 H ILE A 93 6.426 -15.408 7.564 1.00 0.00 H new ATOM 0 HA ILE A 93 4.823 -13.080 8.274 1.00 0.00 H new ATOM 0 HB ILE A 93 5.824 -12.091 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.508 -14.256 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.906 -12.821 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.288 -10.670 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.719 -10.951 8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.160 -11.849 8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.678 -13.312 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.883 -11.764 7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.478 -13.221 8.391 1.00 0.00 H new ATOM 1352 N THR A 94 5.101 -14.707 5.394 1.00 0.00 N ATOM 1353 CA THR A 94 4.330 -15.342 4.345 1.00 0.00 C ATOM 1354 C THR A 94 3.202 -14.422 3.901 1.00 0.00 C ATOM 1355 O THR A 94 2.234 -14.224 4.633 1.00 0.00 O ATOM 1356 CB THR A 94 3.775 -16.669 4.856 1.00 0.00 C ATOM 1357 OG1 THR A 94 2.669 -16.425 5.695 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.857 -17.404 5.642 1.00 0.00 C ATOM 0 H THR A 94 6.105 -14.676 5.218 1.00 0.00 H new ATOM 0 HA THR A 94 4.971 -15.536 3.485 1.00 0.00 H new ATOM 0 HB THR A 94 3.461 -17.281 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.550 -15.459 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.461 -18.352 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.712 -17.594 4.994 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.171 -16.792 6.488 1.00 0.00 H new ATOM 1366 N PHE A 95 3.328 -13.860 2.697 1.00 0.00 N ATOM 1367 CA PHE A 95 2.320 -12.966 2.163 1.00 0.00 C ATOM 1368 C PHE A 95 1.151 -13.773 1.615 1.00 0.00 C ATOM 1369 O PHE A 95 1.300 -14.954 1.308 1.00 0.00 O ATOM 1370 CB PHE A 95 2.938 -12.098 1.071 1.00 0.00 C ATOM 1371 CG PHE A 95 1.996 -11.051 0.527 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.143 -10.359 1.395 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.974 -10.773 -0.845 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.268 -9.390 0.891 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.099 -9.803 -1.349 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.246 -9.112 -0.481 1.00 0.00 C ATOM 0 H PHE A 95 4.124 -14.014 2.078 1.00 0.00 H new ATOM 0 HA PHE A 95 1.947 -12.318 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.825 -11.605 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.268 -12.738 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.160 -10.573 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.632 -11.307 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.390 -8.857 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.082 -9.588 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.429 -8.364 -0.870 1.00 0.00 H new ATOM 1386 N SER A 96 -0.013 -13.133 1.492 1.00 0.00 N ATOM 1387 CA SER A 96 -1.198 -13.793 0.981 1.00 0.00 C ATOM 1388 C SER A 96 -2.043 -12.802 0.193 1.00 0.00 C ATOM 1389 O SER A 96 -2.273 -12.990 -1.000 1.00 0.00 O ATOM 1390 CB SER A 96 -1.994 -14.379 2.143 1.00 0.00 C ATOM 1391 OG SER A 96 -1.549 -15.692 2.403 1.00 0.00 O ATOM 0 H SER A 96 -0.152 -12.154 1.743 1.00 0.00 H new ATOM 0 HA SER A 96 -0.907 -14.603 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.871 -13.759 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.057 -14.385 1.903 1.00 0.00 H new ATOM 0 HG SER A 96 -0.614 -15.782 2.124 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.505 -11.744 0.863 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.318 -10.731 0.221 1.00 0.00 C ATOM 1399 C GLU A 97 -4.759 -11.211 0.116 1.00 0.00 C ATOM 1400 O GLU A 97 -5.317 -11.274 -0.978 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.748 -10.424 -1.161 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.212 -9.040 -1.607 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.952 -9.117 -2.935 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.464 -10.216 -3.237 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.991 -8.074 -3.623 1.00 0.00 O ATOM 0 H GLU A 97 -2.325 -11.574 1.852 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.305 -9.819 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.659 -10.463 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.076 -11.178 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.864 -8.608 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.352 -8.377 -1.703 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.361 -11.550 1.258 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.730 -12.023 1.289 1.00 0.00 C ATOM 1415 C GLN A 98 -7.356 -11.707 2.640 1.00 0.00 C ATOM 1416 O GLN A 98 -8.489 -11.236 2.708 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.755 -13.524 1.019 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.440 -13.791 -0.317 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.744 -14.917 -1.069 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -5.653 -14.728 -1.602 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.380 -16.090 -1.112 1.00 0.00 N ATOM 0 H GLN A 98 -4.912 -11.502 2.173 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.310 -11.518 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.739 -13.918 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -7.285 -14.039 1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -8.485 -14.052 -0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.431 -12.884 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.285 -16.197 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.961 -16.880 -1.604 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.612 -11.968 3.718 1.00 0.00 N ATOM 1431 CA CYS A 99 -7.090 -11.711 5.062 1.00 0.00 C ATOM 1432 C CYS A 99 -6.738 -10.287 5.465 1.00 0.00 C ATOM 1433 O CYS A 99 -6.728 -9.388 4.626 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.464 -12.717 6.024 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.400 -14.335 5.214 1.00 0.00 S ATOM 0 H CYS A 99 -5.671 -12.360 3.676 1.00 0.00 H new ATOM 0 HA CYS A 99 -8.174 -11.822 5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.461 -12.396 6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -7.049 -12.777 6.941 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.866 -15.203 6.021 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.450 -10.080 6.752 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.102 -8.766 7.255 1.00 0.00 C ATOM 1443 C TYR A 100 -4.820 -8.848 8.070 1.00 0.00 C ATOM 1444 O TYR A 100 -4.693 -9.700 8.947 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.250 -8.229 8.104 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.850 -9.260 9.029 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.622 -10.305 8.507 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.634 -9.173 10.410 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.178 -11.262 9.364 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.190 -10.130 11.268 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.961 -11.174 10.745 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.503 -12.107 11.580 1.00 0.00 O ATOM 0 H TYR A 100 -6.453 -10.814 7.460 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.934 -8.085 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -6.891 -7.387 8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.030 -7.846 7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.789 -10.373 7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.038 -8.367 10.813 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.774 -12.068 8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.024 -10.062 12.333 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.256 -11.901 12.506 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.868 -7.959 7.780 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.602 -7.938 8.486 1.00 0.00 C ATOM 1464 C TYR A 101 -2.444 -6.615 9.222 1.00 0.00 C ATOM 1465 O TYR A 101 -3.382 -5.823 9.288 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.463 -8.143 7.491 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.154 -9.596 7.221 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.168 -10.557 7.316 1.00 0.00 C ATOM 1469 CD2 TYR A 101 0.146 -9.983 6.874 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.882 -11.904 7.065 1.00 0.00 C ATOM 1471 CE2 TYR A 101 0.432 -11.330 6.624 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.581 -12.291 6.719 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.302 -13.604 6.475 1.00 0.00 O ATOM 0 H TYR A 101 -3.958 -7.245 7.057 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.576 -8.744 9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.719 -7.654 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.566 -7.654 7.871 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.171 -10.259 7.583 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.928 -9.242 6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.664 -12.645 7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.435 -11.628 6.358 1.00 0.00 H new ATOM 0 HH TYR A 101 0.481 -13.669 5.889 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.252 -6.377 9.775 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.977 -5.154 10.501 1.00 0.00 C ATOM 1485 C VAL A 102 0.454 -4.708 10.235 1.00 0.00 C ATOM 1486 O VAL A 102 1.393 -5.473 10.442 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.203 -5.387 11.992 1.00 0.00 C ATOM 1488 CG1 VAL A 102 0.065 -5.028 12.761 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.356 -4.512 12.475 1.00 0.00 C ATOM 0 H VAL A 102 -0.465 -7.024 9.728 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.651 -4.366 10.164 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.447 -6.436 12.163 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.096 -5.194 13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.889 -5.653 12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.309 -3.980 12.590 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.518 -4.678 13.540 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.113 -3.463 12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.262 -4.769 11.926 1.00 0.00 H new ATOM 1499 N PHE A 103 0.618 -3.465 9.776 1.00 0.00 N ATOM 1500 CA PHE A 103 1.932 -2.927 9.486 1.00 0.00 C ATOM 1501 C PHE A 103 2.924 -3.388 10.545 1.00 0.00 C ATOM 1502 O PHE A 103 2.526 -3.839 11.617 1.00 0.00 O ATOM 1503 CB PHE A 103 1.858 -1.404 9.441 1.00 0.00 C ATOM 1504 CG PHE A 103 1.244 -0.793 10.678 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.900 -0.898 11.910 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.019 -0.120 10.592 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.331 -0.330 13.057 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.549 0.448 11.738 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.107 0.343 12.971 1.00 0.00 C ATOM 0 H PHE A 103 -0.150 -2.818 9.600 1.00 0.00 H new ATOM 0 HA PHE A 103 2.272 -3.290 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.863 -1.003 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.277 -1.102 8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.845 -1.417 11.976 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.487 -0.039 9.641 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.837 -0.411 14.008 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.494 0.967 11.672 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.332 0.781 13.855 1.00 0.00 H new ATOM 1519 N GLY A 104 4.220 -3.274 10.243 1.00 0.00 N ATOM 1520 CA GLY A 104 5.256 -3.680 11.171 1.00 0.00 C ATOM 1521 C GLY A 104 6.497 -2.818 10.986 1.00 0.00 C ATOM 1522 O GLY A 104 6.422 -1.732 10.416 1.00 0.00 O ATOM 0 H GLY A 104 4.568 -2.902 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.892 -3.591 12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.506 -4.729 11.012 1.00 0.00 H new ATOM 1526 N ASP A 105 7.641 -3.306 11.470 1.00 0.00 N ATOM 1527 CA ASP A 105 8.890 -2.580 11.358 1.00 0.00 C ATOM 1528 C ASP A 105 10.008 -3.373 12.020 1.00 0.00 C ATOM 1529 O ASP A 105 10.160 -3.336 13.239 1.00 0.00 O ATOM 1530 CB ASP A 105 8.741 -1.208 12.009 1.00 0.00 C ATOM 1531 CG ASP A 105 9.944 -0.328 11.705 1.00 0.00 C ATOM 1532 OD1 ASP A 105 11.059 -0.734 12.098 1.00 0.00 O ATOM 1533 OD2 ASP A 105 9.727 0.736 11.084 1.00 0.00 O ATOM 0 H ASP A 105 7.719 -4.206 11.944 1.00 0.00 H new ATOM 0 HA ASP A 105 9.142 -2.442 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.833 -0.726 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.633 -1.323 13.088 1.00 0.00 H new