USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -177:sc= -1.61 (180deg=-1.66) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0552 F(o=-2.3!,f=-0.055) USER MOD Single : A 18 SER OG : rot -25:sc= -0.0391 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0247 (180deg=-0.173) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= 1.27 (180deg=1.1) USER MOD Single : A 27 SER OG : rot -60:sc= 1.27 USER MOD Single : A 29 ASN : amide:sc= 0.807 K(o=0.81,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 33 SER OG : rot 129:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= 0.0323 F(o=-0.61,f=0.032) USER MOD Single : A 70 ASN : amide:sc= -4.22! C(o=-4.2!,f=-6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc=-0.000675 (180deg=-0.0532) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc=-0.00614 (180deg=-0.0967) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -160:sc= 0 USER MOD Single : A 86 MET CE :methyl 166:sc= -0.223 (180deg=-0.728) USER MOD Single : A 87 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -12.294 -14.633 7.495 1.00 5.52 N ATOM 38 CA VAL A 5 -12.729 -13.586 6.635 1.00 62.10 C ATOM 39 C VAL A 5 -14.258 -13.641 6.562 1.00 65.35 C ATOM 40 O VAL A 5 -14.817 -14.620 6.060 1.00 21.51 O ATOM 41 CB VAL A 5 -12.159 -13.753 5.208 1.00 1.31 C ATOM 42 CG1 VAL A 5 -12.414 -12.513 4.384 1.00 63.31 C ATOM 43 CG2 VAL A 5 -10.684 -14.096 5.219 1.00 5.42 C ATOM 0 HA VAL A 5 -12.378 -12.633 7.032 1.00 62.10 H new ATOM 0 HB VAL A 5 -12.680 -14.592 4.748 1.00 1.31 H new ATOM 0 HG11 VAL A 5 -12.005 -12.651 3.383 1.00 63.31 H new ATOM 0 HG12 VAL A 5 -13.487 -12.336 4.316 1.00 63.31 H new ATOM 0 HG13 VAL A 5 -11.934 -11.657 4.857 1.00 63.31 H new ATOM 0 HG21 VAL A 5 -10.328 -14.204 4.194 1.00 5.42 H new ATOM 0 HG22 VAL A 5 -10.129 -13.299 5.714 1.00 5.42 H new ATOM 0 HG23 VAL A 5 -10.532 -15.032 5.756 1.00 5.42 H new ATOM 53 N PRO A 6 -14.954 -12.613 7.067 1.00 23.23 N ATOM 54 CA PRO A 6 -16.416 -12.570 7.039 1.00 22.20 C ATOM 55 C PRO A 6 -16.951 -12.383 5.627 1.00 50.23 C ATOM 56 O PRO A 6 -16.291 -11.757 4.776 1.00 30.02 O ATOM 57 CB PRO A 6 -16.784 -11.334 7.874 1.00 53.14 C ATOM 58 CG PRO A 6 -15.518 -10.839 8.487 1.00 64.23 C ATOM 59 CD PRO A 6 -14.376 -11.431 7.711 1.00 44.31 C ATOM 0 HA PRO A 6 -16.839 -13.501 7.418 1.00 22.20 H new ATOM 0 HB2 PRO A 6 -17.238 -10.565 7.248 1.00 53.14 H new ATOM 0 HB3 PRO A 6 -17.513 -11.590 8.643 1.00 53.14 H new ATOM 0 HG2 PRO A 6 -15.478 -9.750 8.457 1.00 64.23 H new ATOM 0 HG3 PRO A 6 -15.461 -11.131 9.536 1.00 64.23 H new ATOM 0 HD2 PRO A 6 -13.987 -10.727 6.975 1.00 44.31 H new ATOM 0 HD3 PRO A 6 -13.547 -11.699 8.365 1.00 44.31 H new ATOM 67 N ALA A 7 -18.141 -12.892 5.374 1.00 41.24 N ATOM 68 CA ALA A 7 -18.773 -12.744 4.098 1.00 22.33 C ATOM 69 C ALA A 7 -19.402 -11.366 3.988 1.00 43.23 C ATOM 70 O ALA A 7 -20.612 -11.197 4.056 1.00 11.22 O ATOM 71 CB ALA A 7 -19.777 -13.851 3.824 1.00 33.11 C ATOM 0 H ALA A 7 -18.689 -13.418 6.054 1.00 41.24 H new ATOM 0 HA ALA A 7 -18.008 -12.835 3.327 1.00 22.33 H new ATOM 0 HB1 ALA A 7 -20.231 -13.697 2.845 1.00 33.11 H new ATOM 0 HB2 ALA A 7 -19.269 -14.815 3.840 1.00 33.11 H new ATOM 0 HB3 ALA A 7 -20.553 -13.836 4.590 1.00 33.11 H new ATOM 77 N ASP A 8 -18.527 -10.403 3.902 1.00 5.12 N ATOM 78 CA ASP A 8 -18.831 -8.983 3.792 1.00 30.45 C ATOM 79 C ASP A 8 -17.531 -8.253 3.556 1.00 22.45 C ATOM 80 O ASP A 8 -17.496 -7.155 3.027 1.00 44.21 O ATOM 81 CB ASP A 8 -19.503 -8.456 5.084 1.00 60.32 C ATOM 82 CG ASP A 8 -19.778 -6.959 5.055 1.00 23.21 C ATOM 83 OD1 ASP A 8 -20.676 -6.518 4.299 1.00 32.10 O ATOM 84 OD2 ASP A 8 -19.102 -6.197 5.788 1.00 52.01 O ATOM 0 H ASP A 8 -17.524 -10.587 3.906 1.00 5.12 H new ATOM 0 HA ASP A 8 -19.526 -8.818 2.969 1.00 30.45 H new ATOM 0 HB2 ASP A 8 -20.442 -8.987 5.239 1.00 60.32 H new ATOM 0 HB3 ASP A 8 -18.863 -8.684 5.936 1.00 60.32 H new ATOM 89 N MET A 9 -16.451 -8.905 3.939 1.00 4.33 N ATOM 90 CA MET A 9 -15.126 -8.358 3.808 1.00 73.11 C ATOM 91 C MET A 9 -14.316 -9.246 2.889 1.00 71.15 C ATOM 92 O MET A 9 -14.667 -10.418 2.671 1.00 4.40 O ATOM 93 CB MET A 9 -14.452 -8.335 5.180 1.00 0.21 C ATOM 94 CG MET A 9 -15.194 -7.540 6.238 1.00 51.14 C ATOM 95 SD MET A 9 -15.248 -5.771 5.914 1.00 71.10 S ATOM 96 CE MET A 9 -13.523 -5.353 6.140 1.00 43.32 C ATOM 0 H MET A 9 -16.475 -9.837 4.353 1.00 4.33 H new ATOM 0 HA MET A 9 -15.185 -7.348 3.404 1.00 73.11 H new ATOM 0 HB2 MET A 9 -14.337 -9.361 5.530 1.00 0.21 H new ATOM 0 HB3 MET A 9 -13.450 -7.921 5.070 1.00 0.21 H new ATOM 0 HG2 MET A 9 -16.214 -7.917 6.314 1.00 51.14 H new ATOM 0 HG3 MET A 9 -14.719 -7.708 7.205 1.00 51.14 H new ATOM 0 HE1 MET A 9 -13.392 -4.277 6.027 1.00 43.32 H new ATOM 0 HE2 MET A 9 -13.203 -5.655 7.137 1.00 43.32 H new ATOM 0 HE3 MET A 9 -12.922 -5.872 5.393 1.00 43.32 H new ATOM 106 N ILE A 10 -13.264 -8.712 2.351 1.00 52.40 N ATOM 107 CA ILE A 10 -12.357 -9.470 1.525 1.00 23.13 C ATOM 108 C ILE A 10 -10.952 -9.336 2.088 1.00 60.41 C ATOM 109 O ILE A 10 -10.563 -8.255 2.547 1.00 55.44 O ATOM 110 CB ILE A 10 -12.466 -9.100 -0.017 1.00 73.54 C ATOM 111 CG1 ILE A 10 -12.343 -7.604 -0.312 1.00 3.44 C ATOM 112 CG2 ILE A 10 -13.731 -9.618 -0.636 1.00 61.44 C ATOM 113 CD1 ILE A 10 -10.955 -7.068 -0.348 1.00 34.24 C ATOM 0 H ILE A 10 -13.003 -7.733 2.469 1.00 52.40 H new ATOM 0 HA ILE A 10 -12.639 -10.522 1.558 1.00 23.13 H new ATOM 0 HB ILE A 10 -11.607 -9.595 -0.469 1.00 73.54 H new ATOM 0 HG12 ILE A 10 -12.817 -7.401 -1.272 1.00 3.44 H new ATOM 0 HG13 ILE A 10 -12.906 -7.055 0.443 1.00 3.44 H new ATOM 0 HG21 ILE A 10 -13.761 -9.341 -1.690 1.00 61.44 H new ATOM 0 HG22 ILE A 10 -13.762 -10.704 -0.546 1.00 61.44 H new ATOM 0 HG23 ILE A 10 -14.590 -9.186 -0.123 1.00 61.44 H new ATOM 0 HD11 ILE A 10 -10.983 -6.000 -0.565 1.00 34.24 H new ATOM 0 HD12 ILE A 10 -10.477 -7.230 0.618 1.00 34.24 H new ATOM 0 HD13 ILE A 10 -10.387 -7.581 -1.124 1.00 34.24 H new ATOM 125 N ASN A 11 -10.212 -10.412 2.127 1.00 4.23 N ATOM 126 CA ASN A 11 -8.895 -10.346 2.722 1.00 32.21 C ATOM 127 C ASN A 11 -7.919 -10.039 1.633 1.00 30.32 C ATOM 128 O ASN A 11 -7.629 -10.887 0.779 1.00 40.34 O ATOM 129 CB ASN A 11 -8.528 -11.649 3.415 1.00 20.45 C ATOM 130 CG ASN A 11 -7.367 -11.491 4.393 1.00 53.34 C ATOM 131 OD1 ASN A 11 -6.176 -11.696 3.925 1.00 72.30 O flip ATOM 132 ND2 ASN A 11 -7.565 -11.196 5.573 1.00 42.42 N flip ATOM 0 H ASN A 11 -10.485 -11.326 1.765 1.00 4.23 H new ATOM 0 HA ASN A 11 -8.877 -9.568 3.486 1.00 32.21 H new ATOM 0 HB2 ASN A 11 -9.399 -12.029 3.950 1.00 20.45 H new ATOM 0 HB3 ASN A 11 -8.266 -12.394 2.664 1.00 20.45 H new ATOM 0 HD21 ASN A 11 -8.516 -11.042 5.907 1.00 42.42 H new ATOM 0 HD22 ASN A 11 -6.778 -11.106 6.215 1.00 42.42 H new ATOM 139 N LEU A 12 -7.430 -8.855 1.644 1.00 31.21 N ATOM 140 CA LEU A 12 -6.629 -8.373 0.575 1.00 41.05 C ATOM 141 C LEU A 12 -5.190 -8.183 0.972 1.00 43.14 C ATOM 142 O LEU A 12 -4.883 -7.609 2.023 1.00 43.11 O ATOM 143 CB LEU A 12 -7.234 -7.065 0.080 1.00 32.23 C ATOM 144 CG LEU A 12 -6.442 -6.267 -0.941 1.00 63.24 C ATOM 145 CD1 LEU A 12 -6.177 -7.051 -2.207 1.00 71.01 C ATOM 146 CD2 LEU A 12 -7.136 -4.961 -1.225 1.00 64.42 C ATOM 0 H LEU A 12 -7.574 -8.185 2.400 1.00 31.21 H new ATOM 0 HA LEU A 12 -6.623 -9.116 -0.222 1.00 41.05 H new ATOM 0 HB2 LEU A 12 -8.210 -7.288 -0.351 1.00 32.23 H new ATOM 0 HB3 LEU A 12 -7.407 -6.426 0.946 1.00 32.23 H new ATOM 0 HG LEU A 12 -5.463 -6.053 -0.512 1.00 63.24 H new ATOM 0 HD11 LEU A 12 -5.608 -6.436 -2.904 1.00 71.01 H new ATOM 0 HD12 LEU A 12 -5.607 -7.948 -1.967 1.00 71.01 H new ATOM 0 HD13 LEU A 12 -7.125 -7.335 -2.664 1.00 71.01 H new ATOM 0 HD21 LEU A 12 -6.561 -4.395 -1.958 1.00 64.42 H new ATOM 0 HD22 LEU A 12 -8.133 -5.157 -1.619 1.00 64.42 H new ATOM 0 HD23 LEU A 12 -7.217 -4.384 -0.304 1.00 64.42 H new ATOM 158 N ARG A 13 -4.310 -8.672 0.132 1.00 74.33 N ATOM 159 CA ARG A 13 -2.924 -8.461 0.317 1.00 73.04 C ATOM 160 C ARG A 13 -2.423 -7.509 -0.750 1.00 2.24 C ATOM 161 O ARG A 13 -2.517 -7.778 -1.947 1.00 31.21 O ATOM 162 CB ARG A 13 -2.174 -9.784 0.278 1.00 33.41 C ATOM 163 CG ARG A 13 -0.697 -9.664 0.596 1.00 13.41 C ATOM 164 CD ARG A 13 -0.112 -11.019 0.908 1.00 75.11 C ATOM 165 NE ARG A 13 -0.206 -11.961 -0.209 1.00 41.15 N ATOM 166 CZ ARG A 13 -0.841 -13.145 -0.161 1.00 50.51 C ATOM 167 NH1 ARG A 13 -1.599 -13.465 0.882 1.00 52.14 N ATOM 168 NH2 ARG A 13 -0.746 -13.990 -1.176 1.00 4.52 N ATOM 0 H ARG A 13 -4.549 -9.224 -0.692 1.00 74.33 H new ATOM 0 HA ARG A 13 -2.746 -8.017 1.296 1.00 73.04 H new ATOM 0 HB2 ARG A 13 -2.633 -10.472 0.988 1.00 33.41 H new ATOM 0 HB3 ARG A 13 -2.287 -10.225 -0.712 1.00 33.41 H new ATOM 0 HG2 ARG A 13 -0.172 -9.221 -0.250 1.00 13.41 H new ATOM 0 HG3 ARG A 13 -0.555 -8.996 1.445 1.00 13.41 H new ATOM 0 HD2 ARG A 13 0.935 -10.900 1.187 1.00 75.11 H new ATOM 0 HD3 ARG A 13 -0.626 -11.439 1.773 1.00 75.11 H new ATOM 0 HE ARG A 13 0.243 -11.700 -1.087 1.00 41.15 H new ATOM 0 HH11 ARG A 13 -1.704 -12.810 1.657 1.00 52.14 H new ATOM 0 HH12 ARG A 13 -2.076 -14.366 0.908 1.00 52.14 H new ATOM 0 HH21 ARG A 13 -0.191 -13.743 -1.995 1.00 4.52 H new ATOM 0 HH22 ARG A 13 -1.228 -14.888 -1.139 1.00 4.52 H new ATOM 182 N LEU A 14 -1.891 -6.436 -0.296 1.00 31.33 N ATOM 183 CA LEU A 14 -1.363 -5.371 -1.118 1.00 24.40 C ATOM 184 C LEU A 14 0.148 -5.497 -1.157 1.00 35.44 C ATOM 185 O LEU A 14 0.794 -5.587 -0.104 1.00 24.02 O ATOM 186 CB LEU A 14 -1.740 -3.971 -0.517 1.00 52.34 C ATOM 187 CG LEU A 14 -3.232 -3.578 -0.416 1.00 63.34 C ATOM 188 CD1 LEU A 14 -3.910 -3.536 -1.763 1.00 33.04 C ATOM 189 CD2 LEU A 14 -4.004 -4.444 0.552 1.00 24.04 C ATOM 0 H LEU A 14 -1.799 -6.251 0.703 1.00 31.33 H new ATOM 0 HA LEU A 14 -1.786 -5.449 -2.120 1.00 24.40 H new ATOM 0 HB2 LEU A 14 -1.317 -3.918 0.486 1.00 52.34 H new ATOM 0 HB3 LEU A 14 -1.239 -3.210 -1.115 1.00 52.34 H new ATOM 0 HG LEU A 14 -3.238 -2.565 -0.014 1.00 63.34 H new ATOM 0 HD11 LEU A 14 -4.955 -3.255 -1.636 1.00 33.04 H new ATOM 0 HD12 LEU A 14 -3.412 -2.803 -2.398 1.00 33.04 H new ATOM 0 HD13 LEU A 14 -3.853 -4.519 -2.230 1.00 33.04 H new ATOM 0 HD21 LEU A 14 -5.044 -4.120 0.580 1.00 24.04 H new ATOM 0 HD22 LEU A 14 -3.956 -5.484 0.228 1.00 24.04 H new ATOM 0 HD23 LEU A 14 -3.569 -4.354 1.547 1.00 24.04 H new ATOM 201 N ILE A 15 0.727 -5.536 -2.333 1.00 40.02 N ATOM 202 CA ILE A 15 2.157 -5.634 -2.411 1.00 70.23 C ATOM 203 C ILE A 15 2.735 -4.288 -2.790 1.00 72.12 C ATOM 204 O ILE A 15 2.315 -3.680 -3.785 1.00 31.25 O ATOM 205 CB ILE A 15 2.623 -6.694 -3.433 1.00 1.54 C ATOM 206 CG1 ILE A 15 1.906 -8.029 -3.177 1.00 73.21 C ATOM 207 CG2 ILE A 15 4.141 -6.874 -3.321 1.00 11.45 C ATOM 208 CD1 ILE A 15 2.345 -9.147 -4.094 1.00 5.20 C ATOM 0 H ILE A 15 0.240 -5.502 -3.228 1.00 40.02 H new ATOM 0 HA ILE A 15 2.515 -5.945 -1.429 1.00 70.23 H new ATOM 0 HB ILE A 15 2.375 -6.359 -4.440 1.00 1.54 H new ATOM 0 HG12 ILE A 15 2.079 -8.331 -2.144 1.00 73.21 H new ATOM 0 HG13 ILE A 15 0.832 -7.881 -3.290 1.00 73.21 H new ATOM 0 HG21 ILE A 15 4.473 -7.622 -4.041 1.00 11.45 H new ATOM 0 HG22 ILE A 15 4.636 -5.925 -3.529 1.00 11.45 H new ATOM 0 HG23 ILE A 15 4.395 -7.203 -2.313 1.00 11.45 H new ATOM 0 HD11 ILE A 15 1.794 -10.055 -3.850 1.00 5.20 H new ATOM 0 HD12 ILE A 15 2.146 -8.868 -5.129 1.00 5.20 H new ATOM 0 HD13 ILE A 15 3.413 -9.325 -3.965 1.00 5.20 H new ATOM 220 N LEU A 16 3.677 -3.822 -2.009 1.00 52.11 N ATOM 221 CA LEU A 16 4.323 -2.552 -2.261 1.00 32.51 C ATOM 222 C LEU A 16 5.467 -2.754 -3.245 1.00 63.32 C ATOM 223 O LEU A 16 6.010 -3.851 -3.347 1.00 25.24 O ATOM 224 CB LEU A 16 4.861 -1.958 -0.950 1.00 50.22 C ATOM 225 CG LEU A 16 3.828 -1.709 0.157 1.00 23.15 C ATOM 226 CD1 LEU A 16 4.501 -1.145 1.399 1.00 74.52 C ATOM 227 CD2 LEU A 16 2.729 -0.773 -0.329 1.00 2.52 C ATOM 0 H LEU A 16 4.020 -4.309 -1.181 1.00 52.11 H new ATOM 0 HA LEU A 16 3.596 -1.859 -2.684 1.00 32.51 H new ATOM 0 HB2 LEU A 16 5.627 -2.628 -0.559 1.00 50.22 H new ATOM 0 HB3 LEU A 16 5.352 -1.012 -1.179 1.00 50.22 H new ATOM 0 HG LEU A 16 3.371 -2.664 0.417 1.00 23.15 H new ATOM 0 HD11 LEU A 16 3.753 -0.975 2.173 1.00 74.52 H new ATOM 0 HD12 LEU A 16 5.245 -1.853 1.763 1.00 74.52 H new ATOM 0 HD13 LEU A 16 4.988 -0.202 1.152 1.00 74.52 H new ATOM 0 HD21 LEU A 16 2.008 -0.611 0.472 1.00 2.52 H new ATOM 0 HD22 LEU A 16 3.167 0.181 -0.622 1.00 2.52 H new ATOM 0 HD23 LEU A 16 2.224 -1.219 -1.186 1.00 2.52 H new ATOM 239 N VAL A 17 5.851 -1.694 -3.937 1.00 25.40 N ATOM 240 CA VAL A 17 6.922 -1.759 -4.938 1.00 53.40 C ATOM 241 C VAL A 17 8.301 -2.030 -4.308 1.00 61.33 C ATOM 242 O VAL A 17 9.267 -2.356 -5.005 1.00 75.05 O ATOM 243 CB VAL A 17 6.956 -0.507 -5.855 1.00 51.02 C ATOM 244 CG1 VAL A 17 5.675 -0.413 -6.672 1.00 75.11 C ATOM 245 CG2 VAL A 17 7.154 0.765 -5.045 1.00 44.12 C ATOM 0 H VAL A 17 5.438 -0.768 -3.828 1.00 25.40 H new ATOM 0 HA VAL A 17 6.685 -2.614 -5.572 1.00 53.40 H new ATOM 0 HB VAL A 17 7.803 -0.613 -6.533 1.00 51.02 H new ATOM 0 HG11 VAL A 17 5.714 0.470 -7.310 1.00 75.11 H new ATOM 0 HG12 VAL A 17 5.572 -1.304 -7.292 1.00 75.11 H new ATOM 0 HG13 VAL A 17 4.820 -0.338 -6.000 1.00 75.11 H new ATOM 0 HG21 VAL A 17 7.173 1.624 -5.716 1.00 44.12 H new ATOM 0 HG22 VAL A 17 6.333 0.876 -4.336 1.00 44.12 H new ATOM 0 HG23 VAL A 17 8.097 0.707 -4.502 1.00 44.12 H new ATOM 255 N SER A 18 8.379 -1.898 -2.988 1.00 12.14 N ATOM 256 CA SER A 18 9.591 -2.207 -2.252 1.00 62.43 C ATOM 257 C SER A 18 9.734 -3.744 -2.136 1.00 73.04 C ATOM 258 O SER A 18 10.779 -4.269 -1.758 1.00 74.42 O ATOM 259 CB SER A 18 9.517 -1.570 -0.843 1.00 12.03 C ATOM 260 OG SER A 18 10.730 -1.716 -0.125 1.00 72.05 O ATOM 0 H SER A 18 7.607 -1.576 -2.405 1.00 12.14 H new ATOM 0 HA SER A 18 10.457 -1.803 -2.776 1.00 62.43 H new ATOM 0 HB2 SER A 18 9.278 -0.511 -0.937 1.00 12.03 H new ATOM 0 HB3 SER A 18 8.706 -2.031 -0.280 1.00 12.03 H new ATOM 0 HG SER A 18 11.217 -2.497 -0.461 1.00 72.05 H new ATOM 266 N GLY A 19 8.665 -4.454 -2.473 1.00 24.30 N ATOM 267 CA GLY A 19 8.674 -5.894 -2.404 1.00 65.23 C ATOM 268 C GLY A 19 8.083 -6.392 -1.114 1.00 20.10 C ATOM 269 O GLY A 19 7.963 -7.594 -0.898 1.00 0.15 O ATOM 0 H GLY A 19 7.786 -4.049 -2.795 1.00 24.30 H new ATOM 0 HA2 GLY A 19 8.111 -6.302 -3.244 1.00 65.23 H new ATOM 0 HA3 GLY A 19 9.697 -6.257 -2.500 1.00 65.23 H new ATOM 273 N LYS A 20 7.727 -5.472 -0.253 1.00 43.45 N ATOM 274 CA LYS A 20 7.121 -5.811 1.012 1.00 14.43 C ATOM 275 C LYS A 20 5.622 -5.917 0.864 1.00 11.41 C ATOM 276 O LYS A 20 4.987 -5.066 0.225 1.00 5.41 O ATOM 277 CB LYS A 20 7.496 -4.820 2.140 1.00 5.12 C ATOM 278 CG LYS A 20 8.939 -4.928 2.677 1.00 21.21 C ATOM 279 CD LYS A 20 10.010 -4.608 1.638 1.00 63.14 C ATOM 280 CE LYS A 20 11.421 -4.748 2.218 1.00 50.01 C ATOM 281 NZ LYS A 20 11.662 -3.844 3.372 1.00 74.05 N ATOM 0 H LYS A 20 7.848 -4.471 -0.407 1.00 43.45 H new ATOM 0 HA LYS A 20 7.519 -6.781 1.308 1.00 14.43 H new ATOM 0 HB2 LYS A 20 7.340 -3.805 1.773 1.00 5.12 H new ATOM 0 HB3 LYS A 20 6.807 -4.968 2.972 1.00 5.12 H new ATOM 0 HG2 LYS A 20 9.053 -4.250 3.523 1.00 21.21 H new ATOM 0 HG3 LYS A 20 9.102 -5.938 3.053 1.00 21.21 H new ATOM 0 HD2 LYS A 20 9.900 -5.276 0.784 1.00 63.14 H new ATOM 0 HD3 LYS A 20 9.867 -3.592 1.269 1.00 63.14 H new ATOM 0 HE2 LYS A 20 11.579 -5.780 2.532 1.00 50.01 H new ATOM 0 HE3 LYS A 20 12.152 -4.536 1.438 1.00 50.01 H new ATOM 0 HZ1 LYS A 20 12.675 -3.842 3.606 1.00 74.05 H new ATOM 0 HZ2 LYS A 20 11.361 -2.879 3.126 1.00 74.05 H new ATOM 0 HZ3 LYS A 20 11.118 -4.177 4.193 1.00 74.05 H new ATOM 295 N THR A 21 5.061 -6.945 1.424 1.00 54.20 N ATOM 296 CA THR A 21 3.656 -7.168 1.330 1.00 45.25 C ATOM 297 C THR A 21 2.951 -6.684 2.580 1.00 32.11 C ATOM 298 O THR A 21 3.532 -6.649 3.669 1.00 44.55 O ATOM 299 CB THR A 21 3.350 -8.670 1.127 1.00 30.32 C ATOM 300 OG1 THR A 21 3.873 -9.430 2.231 1.00 22.30 O ATOM 301 CG2 THR A 21 3.975 -9.177 -0.155 1.00 64.13 C ATOM 0 H THR A 21 5.567 -7.651 1.958 1.00 54.20 H new ATOM 0 HA THR A 21 3.291 -6.607 0.469 1.00 45.25 H new ATOM 0 HB THR A 21 2.268 -8.790 1.070 1.00 30.32 H new ATOM 0 HG1 THR A 21 3.674 -10.380 2.097 1.00 22.30 H new ATOM 0 HG21 THR A 21 3.747 -10.236 -0.277 1.00 64.13 H new ATOM 0 HG22 THR A 21 3.573 -8.619 -1.001 1.00 64.13 H new ATOM 0 HG23 THR A 21 5.056 -9.042 -0.111 1.00 64.13 H new ATOM 309 N LYS A 22 1.742 -6.273 2.420 1.00 61.01 N ATOM 310 CA LYS A 22 0.885 -5.892 3.517 1.00 54.35 C ATOM 311 C LYS A 22 -0.434 -6.571 3.300 1.00 14.43 C ATOM 312 O LYS A 22 -0.907 -6.622 2.182 1.00 1.43 O ATOM 313 CB LYS A 22 0.680 -4.370 3.514 1.00 34.13 C ATOM 314 CG LYS A 22 1.904 -3.510 3.887 1.00 71.23 C ATOM 315 CD LYS A 22 2.044 -3.273 5.410 1.00 51.01 C ATOM 316 CE LYS A 22 2.292 -4.527 6.239 1.00 3.32 C ATOM 317 NZ LYS A 22 3.569 -5.195 5.904 1.00 54.34 N ATOM 0 H LYS A 22 1.299 -6.186 1.505 1.00 61.01 H new ATOM 0 HA LYS A 22 1.326 -6.180 4.471 1.00 54.35 H new ATOM 0 HB2 LYS A 22 0.344 -4.073 2.520 1.00 34.13 H new ATOM 0 HB3 LYS A 22 -0.127 -4.133 4.207 1.00 34.13 H new ATOM 0 HG2 LYS A 22 2.807 -3.996 3.517 1.00 71.23 H new ATOM 0 HG3 LYS A 22 1.830 -2.547 3.382 1.00 71.23 H new ATOM 0 HD2 LYS A 22 2.865 -2.576 5.580 1.00 51.01 H new ATOM 0 HD3 LYS A 22 1.136 -2.791 5.772 1.00 51.01 H new ATOM 0 HE2 LYS A 22 2.292 -4.263 7.297 1.00 3.32 H new ATOM 0 HE3 LYS A 22 1.470 -5.227 6.085 1.00 3.32 H new ATOM 0 HZ1 LYS A 22 3.982 -5.607 6.765 1.00 54.34 H new ATOM 0 HZ2 LYS A 22 3.395 -5.949 5.209 1.00 54.34 H new ATOM 0 HZ3 LYS A 22 4.230 -4.500 5.502 1.00 54.34 H new ATOM 331 N GLU A 23 -1.027 -7.089 4.321 1.00 62.42 N ATOM 332 CA GLU A 23 -2.290 -7.737 4.143 1.00 33.53 C ATOM 333 C GLU A 23 -3.184 -7.333 5.277 1.00 54.05 C ATOM 334 O GLU A 23 -2.789 -7.408 6.441 1.00 52.54 O ATOM 335 CB GLU A 23 -2.091 -9.243 4.151 1.00 53.53 C ATOM 336 CG GLU A 23 -3.264 -10.042 3.673 1.00 30.31 C ATOM 337 CD GLU A 23 -3.048 -11.512 3.910 1.00 70.54 C ATOM 338 OE1 GLU A 23 -2.402 -12.185 3.078 1.00 54.22 O ATOM 339 OE2 GLU A 23 -3.502 -12.013 4.950 1.00 22.01 O ATOM 0 H GLU A 23 -0.668 -7.080 5.276 1.00 62.42 H new ATOM 0 HA GLU A 23 -2.738 -7.448 3.192 1.00 33.53 H new ATOM 0 HB2 GLU A 23 -1.230 -9.483 3.528 1.00 53.53 H new ATOM 0 HB3 GLU A 23 -1.847 -9.556 5.166 1.00 53.53 H new ATOM 0 HG2 GLU A 23 -4.166 -9.715 4.190 1.00 30.31 H new ATOM 0 HG3 GLU A 23 -3.423 -9.861 2.610 1.00 30.31 H new ATOM 346 N PHE A 24 -4.361 -6.899 4.951 1.00 64.04 N ATOM 347 CA PHE A 24 -5.332 -6.461 5.925 1.00 62.21 C ATOM 348 C PHE A 24 -6.697 -6.814 5.439 1.00 51.15 C ATOM 349 O PHE A 24 -6.893 -7.049 4.238 1.00 70.04 O ATOM 350 CB PHE A 24 -5.248 -4.944 6.198 1.00 55.02 C ATOM 351 CG PHE A 24 -3.972 -4.480 6.858 1.00 22.35 C ATOM 352 CD1 PHE A 24 -3.854 -4.481 8.238 1.00 1.30 C ATOM 353 CD2 PHE A 24 -2.895 -4.048 6.098 1.00 10.12 C ATOM 354 CE1 PHE A 24 -2.687 -4.063 8.847 1.00 73.12 C ATOM 355 CE2 PHE A 24 -1.727 -3.630 6.702 1.00 72.45 C ATOM 356 CZ PHE A 24 -1.622 -3.638 8.078 1.00 73.31 C ATOM 0 H PHE A 24 -4.687 -6.835 3.987 1.00 64.04 H new ATOM 0 HA PHE A 24 -5.117 -6.967 6.866 1.00 62.21 H new ATOM 0 HB2 PHE A 24 -5.363 -4.414 5.253 1.00 55.02 H new ATOM 0 HB3 PHE A 24 -6.090 -4.657 6.829 1.00 55.02 H new ATOM 0 HD1 PHE A 24 -4.684 -4.812 8.845 1.00 1.30 H new ATOM 0 HD2 PHE A 24 -2.972 -4.039 5.021 1.00 10.12 H new ATOM 0 HE1 PHE A 24 -2.608 -4.069 9.924 1.00 73.12 H new ATOM 0 HE2 PHE A 24 -0.896 -3.297 6.098 1.00 72.45 H new ATOM 0 HZ PHE A 24 -0.708 -3.312 8.553 1.00 73.31 H new ATOM 366 N LEU A 25 -7.636 -6.877 6.330 1.00 0.54 N ATOM 367 CA LEU A 25 -8.969 -7.132 5.928 1.00 54.22 C ATOM 368 C LEU A 25 -9.564 -5.796 5.496 1.00 63.20 C ATOM 369 O LEU A 25 -9.548 -4.823 6.257 1.00 60.21 O ATOM 370 CB LEU A 25 -9.753 -7.729 7.104 1.00 44.21 C ATOM 371 CG LEU A 25 -11.159 -8.227 6.814 1.00 70.45 C ATOM 372 CD1 LEU A 25 -11.120 -9.368 5.816 1.00 24.21 C ATOM 373 CD2 LEU A 25 -11.834 -8.664 8.102 1.00 10.42 C ATOM 0 H LEU A 25 -7.499 -6.755 7.333 1.00 0.54 H new ATOM 0 HA LEU A 25 -9.012 -7.847 5.106 1.00 54.22 H new ATOM 0 HB2 LEU A 25 -9.176 -8.560 7.509 1.00 44.21 H new ATOM 0 HB3 LEU A 25 -9.816 -6.974 7.887 1.00 44.21 H new ATOM 0 HG LEU A 25 -11.738 -7.413 6.379 1.00 70.45 H new ATOM 0 HD11 LEU A 25 -12.135 -9.714 5.619 1.00 24.21 H new ATOM 0 HD12 LEU A 25 -10.667 -9.023 4.887 1.00 24.21 H new ATOM 0 HD13 LEU A 25 -10.530 -10.189 6.224 1.00 24.21 H new ATOM 0 HD21 LEU A 25 -12.841 -9.019 7.883 1.00 10.42 H new ATOM 0 HD22 LEU A 25 -11.258 -9.468 8.560 1.00 10.42 H new ATOM 0 HD23 LEU A 25 -11.889 -7.819 8.789 1.00 10.42 H new ATOM 385 N PHE A 26 -10.066 -5.748 4.302 1.00 41.52 N ATOM 386 CA PHE A 26 -10.647 -4.542 3.767 1.00 54.15 C ATOM 387 C PHE A 26 -12.004 -4.864 3.215 1.00 71.20 C ATOM 388 O PHE A 26 -12.333 -6.044 3.006 1.00 45.11 O ATOM 389 CB PHE A 26 -9.759 -3.902 2.659 1.00 22.13 C ATOM 390 CG PHE A 26 -8.422 -3.322 3.117 1.00 33.12 C ATOM 391 CD1 PHE A 26 -8.359 -2.051 3.674 1.00 64.01 C ATOM 392 CD2 PHE A 26 -7.235 -4.029 2.964 1.00 53.23 C ATOM 393 CE1 PHE A 26 -7.146 -1.506 4.071 1.00 24.15 C ATOM 394 CE2 PHE A 26 -6.030 -3.485 3.353 1.00 24.01 C ATOM 395 CZ PHE A 26 -5.982 -2.225 3.908 1.00 33.14 C ATOM 0 H PHE A 26 -10.088 -6.543 3.663 1.00 41.52 H new ATOM 0 HA PHE A 26 -10.725 -3.813 4.573 1.00 54.15 H new ATOM 0 HB2 PHE A 26 -9.562 -4.658 1.899 1.00 22.13 H new ATOM 0 HB3 PHE A 26 -10.330 -3.108 2.178 1.00 22.13 H new ATOM 0 HD1 PHE A 26 -9.266 -1.479 3.800 1.00 64.01 H new ATOM 0 HD2 PHE A 26 -7.257 -5.019 2.534 1.00 53.23 H new ATOM 0 HE1 PHE A 26 -7.114 -0.519 4.508 1.00 24.15 H new ATOM 0 HE2 PHE A 26 -5.119 -4.049 3.222 1.00 24.01 H new ATOM 0 HZ PHE A 26 -5.036 -1.803 4.214 1.00 33.14 H new ATOM 405 N SER A 27 -12.805 -3.873 2.991 1.00 53.33 N ATOM 406 CA SER A 27 -14.082 -4.126 2.449 1.00 74.41 C ATOM 407 C SER A 27 -13.942 -4.127 0.960 1.00 21.32 C ATOM 408 O SER A 27 -13.131 -3.384 0.415 1.00 51.23 O ATOM 409 CB SER A 27 -15.131 -3.086 2.910 1.00 64.14 C ATOM 410 OG SER A 27 -14.817 -1.774 2.482 1.00 30.21 O ATOM 0 H SER A 27 -12.592 -2.893 3.176 1.00 53.33 H new ATOM 0 HA SER A 27 -14.446 -5.090 2.804 1.00 74.41 H new ATOM 0 HB2 SER A 27 -16.111 -3.366 2.523 1.00 64.14 H new ATOM 0 HB3 SER A 27 -15.201 -3.103 3.998 1.00 64.14 H new ATOM 0 HG SER A 27 -13.950 -1.507 2.854 1.00 30.21 H new ATOM 416 N PRO A 28 -14.690 -4.958 0.262 1.00 45.25 N ATOM 417 CA PRO A 28 -14.646 -5.011 -1.189 1.00 4.12 C ATOM 418 C PRO A 28 -15.065 -3.681 -1.836 1.00 52.13 C ATOM 419 O PRO A 28 -14.861 -3.468 -3.033 1.00 4.30 O ATOM 420 CB PRO A 28 -15.617 -6.138 -1.544 1.00 61.02 C ATOM 421 CG PRO A 28 -16.481 -6.277 -0.346 1.00 51.21 C ATOM 422 CD PRO A 28 -15.616 -5.951 0.818 1.00 62.31 C ATOM 0 HA PRO A 28 -13.637 -5.188 -1.561 1.00 4.12 H new ATOM 0 HB2 PRO A 28 -16.203 -5.892 -2.429 1.00 61.02 H new ATOM 0 HB3 PRO A 28 -15.086 -7.065 -1.760 1.00 61.02 H new ATOM 0 HG2 PRO A 28 -17.335 -5.602 -0.400 1.00 51.21 H new ATOM 0 HG3 PRO A 28 -16.879 -7.289 -0.266 1.00 51.21 H new ATOM 0 HD2 PRO A 28 -16.192 -5.546 1.650 1.00 62.31 H new ATOM 0 HD3 PRO A 28 -15.091 -6.830 1.191 1.00 62.31 H new ATOM 430 N ASN A 29 -15.622 -2.790 -1.023 1.00 5.52 N ATOM 431 CA ASN A 29 -16.099 -1.510 -1.483 1.00 42.23 C ATOM 432 C ASN A 29 -14.964 -0.455 -1.341 1.00 10.21 C ATOM 433 O ASN A 29 -15.092 0.682 -1.801 1.00 33.42 O ATOM 434 CB ASN A 29 -17.349 -1.119 -0.656 1.00 53.13 C ATOM 435 CG ASN A 29 -18.265 -0.047 -1.286 1.00 63.44 C ATOM 436 OD1 ASN A 29 -19.468 -0.069 -1.071 1.00 53.34 O ATOM 437 ND2 ASN A 29 -17.731 0.874 -2.042 1.00 65.14 N ATOM 0 H ASN A 29 -15.752 -2.945 -0.023 1.00 5.52 H new ATOM 0 HA ASN A 29 -16.381 -1.557 -2.535 1.00 42.23 H new ATOM 0 HB2 ASN A 29 -17.941 -2.017 -0.481 1.00 53.13 H new ATOM 0 HB3 ASN A 29 -17.018 -0.760 0.319 1.00 53.13 H new ATOM 0 HD21 ASN A 29 -18.320 1.592 -2.465 1.00 65.14 H new ATOM 0 HD22 ASN A 29 -16.725 0.876 -2.210 1.00 65.14 H new ATOM 444 N ASP A 30 -13.850 -0.845 -0.707 1.00 52.34 N ATOM 445 CA ASP A 30 -12.674 0.045 -0.595 1.00 75.10 C ATOM 446 C ASP A 30 -11.990 0.175 -1.940 1.00 34.42 C ATOM 447 O ASP A 30 -12.107 -0.710 -2.797 1.00 34.54 O ATOM 448 CB ASP A 30 -11.632 -0.420 0.460 1.00 61.23 C ATOM 449 CG ASP A 30 -12.035 -0.222 1.908 1.00 45.43 C ATOM 450 OD1 ASP A 30 -12.013 0.925 2.384 1.00 11.21 O ATOM 451 OD2 ASP A 30 -12.333 -1.219 2.604 1.00 13.33 O ATOM 0 H ASP A 30 -13.733 -1.758 -0.267 1.00 52.34 H new ATOM 0 HA ASP A 30 -13.060 1.007 -0.259 1.00 75.10 H new ATOM 0 HB2 ASP A 30 -11.427 -1.478 0.300 1.00 61.23 H new ATOM 0 HB3 ASP A 30 -10.699 0.116 0.284 1.00 61.23 H new ATOM 456 N SER A 31 -11.306 1.262 -2.146 1.00 54.31 N ATOM 457 CA SER A 31 -10.616 1.474 -3.374 1.00 33.41 C ATOM 458 C SER A 31 -9.155 1.039 -3.276 1.00 4.11 C ATOM 459 O SER A 31 -8.400 1.541 -2.451 1.00 1.44 O ATOM 460 CB SER A 31 -10.780 2.911 -3.810 1.00 34.12 C ATOM 461 OG SER A 31 -10.574 3.800 -2.734 1.00 22.12 O ATOM 0 H SER A 31 -11.214 2.019 -1.469 1.00 54.31 H new ATOM 0 HA SER A 31 -11.057 0.846 -4.148 1.00 33.41 H new ATOM 0 HB2 SER A 31 -10.073 3.134 -4.609 1.00 34.12 H new ATOM 0 HB3 SER A 31 -11.780 3.057 -4.219 1.00 34.12 H new ATOM 0 HG SER A 31 -10.685 4.722 -3.046 1.00 22.12 H new ATOM 467 N ALA A 32 -8.794 0.112 -4.141 1.00 61.13 N ATOM 468 CA ALA A 32 -7.481 -0.552 -4.181 1.00 54.33 C ATOM 469 C ALA A 32 -6.270 0.386 -4.058 1.00 13.12 C ATOM 470 O ALA A 32 -5.404 0.156 -3.224 1.00 62.45 O ATOM 471 CB ALA A 32 -7.384 -1.314 -5.464 1.00 72.21 C ATOM 0 H ALA A 32 -9.424 -0.222 -4.870 1.00 61.13 H new ATOM 0 HA ALA A 32 -7.435 -1.197 -3.304 1.00 54.33 H new ATOM 0 HB1 ALA A 32 -6.418 -1.816 -5.517 1.00 72.21 H new ATOM 0 HB2 ALA A 32 -8.181 -2.056 -5.508 1.00 72.21 H new ATOM 0 HB3 ALA A 32 -7.482 -0.626 -6.304 1.00 72.21 H new ATOM 477 N SER A 33 -6.201 1.426 -4.865 1.00 71.13 N ATOM 478 CA SER A 33 -5.021 2.269 -4.849 1.00 70.45 C ATOM 479 C SER A 33 -5.008 3.240 -3.658 1.00 40.41 C ATOM 480 O SER A 33 -3.957 3.738 -3.253 1.00 0.23 O ATOM 481 CB SER A 33 -4.825 2.943 -6.185 1.00 53.41 C ATOM 482 OG SER A 33 -4.825 1.960 -7.201 1.00 15.11 O ATOM 0 H SER A 33 -6.928 1.704 -5.525 1.00 71.13 H new ATOM 0 HA SER A 33 -4.152 1.629 -4.693 1.00 70.45 H new ATOM 0 HB2 SER A 33 -5.620 3.667 -6.362 1.00 53.41 H new ATOM 0 HB3 SER A 33 -3.885 3.494 -6.194 1.00 53.41 H new ATOM 0 HG SER A 33 -5.460 2.215 -7.903 1.00 15.11 H new ATOM 488 N ASP A 34 -6.177 3.487 -3.094 1.00 22.43 N ATOM 489 CA ASP A 34 -6.294 4.236 -1.830 1.00 32.35 C ATOM 490 C ASP A 34 -5.724 3.340 -0.745 1.00 31.10 C ATOM 491 O ASP A 34 -4.958 3.770 0.126 1.00 2.01 O ATOM 492 CB ASP A 34 -7.775 4.508 -1.531 1.00 40.41 C ATOM 493 CG ASP A 34 -8.035 5.253 -0.235 1.00 61.31 C ATOM 494 OD1 ASP A 34 -8.180 4.598 0.824 1.00 54.32 O ATOM 495 OD2 ASP A 34 -8.158 6.481 -0.264 1.00 22.33 O ATOM 0 H ASP A 34 -7.069 3.183 -3.484 1.00 22.43 H new ATOM 0 HA ASP A 34 -5.767 5.188 -1.884 1.00 32.35 H new ATOM 0 HB2 ASP A 34 -8.198 5.082 -2.355 1.00 40.41 H new ATOM 0 HB3 ASP A 34 -8.306 3.556 -1.500 1.00 40.41 H new ATOM 500 N ILE A 35 -6.085 2.062 -0.839 1.00 24.34 N ATOM 501 CA ILE A 35 -5.595 1.049 0.059 1.00 25.54 C ATOM 502 C ILE A 35 -4.084 0.922 -0.072 1.00 72.43 C ATOM 503 O ILE A 35 -3.397 0.753 0.916 1.00 44.53 O ATOM 504 CB ILE A 35 -6.228 -0.325 -0.213 1.00 64.13 C ATOM 505 CG1 ILE A 35 -7.739 -0.289 -0.063 1.00 2.44 C ATOM 506 CG2 ILE A 35 -5.653 -1.346 0.718 1.00 24.45 C ATOM 507 CD1 ILE A 35 -8.375 -1.629 -0.322 1.00 24.15 C ATOM 0 H ILE A 35 -6.729 1.711 -1.548 1.00 24.34 H new ATOM 0 HA ILE A 35 -5.869 1.360 1.067 1.00 25.54 H new ATOM 0 HB ILE A 35 -6.000 -0.595 -1.244 1.00 64.13 H new ATOM 0 HG12 ILE A 35 -7.993 0.042 0.944 1.00 2.44 H new ATOM 0 HG13 ILE A 35 -8.152 0.446 -0.754 1.00 2.44 H new ATOM 0 HG21 ILE A 35 -6.107 -2.317 0.519 1.00 24.45 H new ATOM 0 HG22 ILE A 35 -4.576 -1.411 0.566 1.00 24.45 H new ATOM 0 HG23 ILE A 35 -5.857 -1.055 1.748 1.00 24.45 H new ATOM 0 HD11 ILE A 35 -9.455 -1.548 -0.202 1.00 24.15 H new ATOM 0 HD12 ILE A 35 -8.146 -1.950 -1.338 1.00 24.15 H new ATOM 0 HD13 ILE A 35 -7.985 -2.360 0.386 1.00 24.15 H new ATOM 519 N ALA A 36 -3.587 0.995 -1.302 1.00 52.53 N ATOM 520 CA ALA A 36 -2.160 0.969 -1.584 1.00 50.53 C ATOM 521 C ALA A 36 -1.409 1.975 -0.728 1.00 73.41 C ATOM 522 O ALA A 36 -0.376 1.655 -0.184 1.00 44.52 O ATOM 523 CB ALA A 36 -1.901 1.246 -3.054 1.00 21.35 C ATOM 0 H ALA A 36 -4.169 1.074 -2.136 1.00 52.53 H new ATOM 0 HA ALA A 36 -1.795 -0.028 -1.340 1.00 50.53 H new ATOM 0 HB1 ALA A 36 -0.828 1.222 -3.245 1.00 21.35 H new ATOM 0 HB2 ALA A 36 -2.394 0.486 -3.660 1.00 21.35 H new ATOM 0 HB3 ALA A 36 -2.294 2.229 -3.314 1.00 21.35 H new ATOM 529 N LYS A 37 -1.943 3.183 -0.601 1.00 44.10 N ATOM 530 CA LYS A 37 -1.305 4.197 0.225 1.00 31.12 C ATOM 531 C LYS A 37 -1.502 3.829 1.708 1.00 74.24 C ATOM 532 O LYS A 37 -0.597 3.994 2.538 1.00 21.25 O ATOM 533 CB LYS A 37 -1.884 5.589 -0.097 1.00 2.52 C ATOM 534 CG LYS A 37 -1.021 6.792 0.338 1.00 73.11 C ATOM 535 CD LYS A 37 -0.878 6.976 1.847 1.00 64.53 C ATOM 536 CE LYS A 37 0.164 8.052 2.195 1.00 53.51 C ATOM 537 NZ LYS A 37 -0.136 9.390 1.614 1.00 3.44 N ATOM 0 H LYS A 37 -2.807 3.481 -1.054 1.00 44.10 H new ATOM 0 HA LYS A 37 -0.236 4.234 0.014 1.00 31.12 H new ATOM 0 HB2 LYS A 37 -2.048 5.654 -1.173 1.00 2.52 H new ATOM 0 HB3 LYS A 37 -2.860 5.675 0.380 1.00 2.52 H new ATOM 0 HG2 LYS A 37 -0.027 6.681 -0.094 1.00 73.11 H new ATOM 0 HG3 LYS A 37 -1.452 7.700 -0.084 1.00 73.11 H new ATOM 0 HD2 LYS A 37 -1.843 7.253 2.272 1.00 64.53 H new ATOM 0 HD3 LYS A 37 -0.589 6.029 2.303 1.00 64.53 H new ATOM 0 HE2 LYS A 37 0.230 8.144 3.279 1.00 53.51 H new ATOM 0 HE3 LYS A 37 1.142 7.724 1.843 1.00 53.51 H new ATOM 0 HZ1 LYS A 37 0.607 10.063 1.890 1.00 3.44 H new ATOM 0 HZ2 LYS A 37 -0.171 9.318 0.577 1.00 3.44 H new ATOM 0 HZ3 LYS A 37 -1.055 9.724 1.969 1.00 3.44 H new ATOM 551 N HIS A 38 -2.687 3.302 2.014 1.00 35.34 N ATOM 552 CA HIS A 38 -3.057 2.887 3.372 1.00 73.33 C ATOM 553 C HIS A 38 -2.048 1.862 3.899 1.00 64.25 C ATOM 554 O HIS A 38 -1.536 1.985 4.999 1.00 2.51 O ATOM 555 CB HIS A 38 -4.458 2.247 3.364 1.00 2.34 C ATOM 556 CG HIS A 38 -5.016 1.906 4.720 1.00 42.10 C ATOM 557 ND1 HIS A 38 -4.439 1.010 5.594 1.00 2.20 N ATOM 558 CD2 HIS A 38 -6.103 2.366 5.345 1.00 14.11 C ATOM 559 CE1 HIS A 38 -5.155 0.941 6.683 1.00 1.52 C ATOM 560 NE2 HIS A 38 -6.171 1.754 6.561 1.00 51.21 N ATOM 0 H HIS A 38 -3.423 3.149 1.325 1.00 35.34 H new ATOM 0 HA HIS A 38 -3.058 3.767 4.016 1.00 73.33 H new ATOM 0 HB2 HIS A 38 -5.148 2.928 2.866 1.00 2.34 H new ATOM 0 HB3 HIS A 38 -4.421 1.337 2.765 1.00 2.34 H new ATOM 0 HD2 HIS A 38 -6.802 3.092 4.957 1.00 14.11 H new ATOM 0 HE1 HIS A 38 -4.944 0.318 7.539 1.00 1.52 H new ATOM 0 HE2 HIS A 38 -6.897 1.906 7.262 1.00 51.21 H new ATOM 569 N VAL A 39 -1.803 0.847 3.105 1.00 33.13 N ATOM 570 CA VAL A 39 -0.880 -0.205 3.447 1.00 51.14 C ATOM 571 C VAL A 39 0.567 0.279 3.352 1.00 51.31 C ATOM 572 O VAL A 39 1.432 -0.164 4.116 1.00 42.53 O ATOM 573 CB VAL A 39 -1.111 -1.463 2.594 1.00 1.24 C ATOM 574 CG1 VAL A 39 -2.505 -2.025 2.879 1.00 64.40 C ATOM 575 CG2 VAL A 39 -0.977 -1.140 1.140 1.00 13.41 C ATOM 0 H VAL A 39 -2.245 0.728 2.193 1.00 33.13 H new ATOM 0 HA VAL A 39 -1.069 -0.482 4.484 1.00 51.14 H new ATOM 0 HB VAL A 39 -0.360 -2.209 2.853 1.00 1.24 H new ATOM 0 HG11 VAL A 39 -2.668 -2.917 2.274 1.00 64.40 H new ATOM 0 HG12 VAL A 39 -2.584 -2.283 3.935 1.00 64.40 H new ATOM 0 HG13 VAL A 39 -3.257 -1.276 2.631 1.00 64.40 H new ATOM 0 HG21 VAL A 39 -1.143 -2.041 0.550 1.00 13.41 H new ATOM 0 HG22 VAL A 39 -1.714 -0.385 0.865 1.00 13.41 H new ATOM 0 HG23 VAL A 39 0.024 -0.757 0.943 1.00 13.41 H new ATOM 585 N TYR A 40 0.809 1.198 2.417 1.00 75.12 N ATOM 586 CA TYR A 40 2.112 1.837 2.229 1.00 32.24 C ATOM 587 C TYR A 40 2.578 2.498 3.515 1.00 14.11 C ATOM 588 O TYR A 40 3.713 2.310 3.943 1.00 75.31 O ATOM 589 CB TYR A 40 2.019 2.878 1.095 1.00 13.45 C ATOM 590 CG TYR A 40 3.259 3.701 0.844 1.00 63.32 C ATOM 591 CD1 TYR A 40 4.319 3.197 0.111 1.00 30.03 C ATOM 592 CD2 TYR A 40 3.355 5.000 1.332 1.00 63.31 C ATOM 593 CE1 TYR A 40 5.444 3.957 -0.123 1.00 21.30 C ATOM 594 CE2 TYR A 40 4.474 5.766 1.101 1.00 63.05 C ATOM 595 CZ TYR A 40 5.518 5.243 0.374 1.00 55.25 C ATOM 596 OH TYR A 40 6.648 6.010 0.148 1.00 31.20 O ATOM 0 H TYR A 40 0.098 1.523 1.762 1.00 75.12 H new ATOM 0 HA TYR A 40 2.842 1.074 1.957 1.00 32.24 H new ATOM 0 HB2 TYR A 40 1.760 2.358 0.173 1.00 13.45 H new ATOM 0 HB3 TYR A 40 1.196 3.557 1.320 1.00 13.45 H new ATOM 0 HD1 TYR A 40 4.264 2.193 -0.283 1.00 30.03 H new ATOM 0 HD2 TYR A 40 2.537 5.414 1.902 1.00 63.31 H new ATOM 0 HE1 TYR A 40 6.265 3.548 -0.693 1.00 21.30 H new ATOM 0 HE2 TYR A 40 4.532 6.772 1.488 1.00 63.05 H new ATOM 0 HH TYR A 40 6.535 6.890 0.565 1.00 31.20 H new ATOM 870 N LEU A 58 -2.159 6.148 -9.666 1.00 33.02 N ATOM 871 CA LEU A 58 -2.398 5.186 -8.627 1.00 52.42 C ATOM 872 C LEU A 58 -3.244 4.111 -9.212 1.00 24.13 C ATOM 873 O LEU A 58 -4.454 4.243 -9.314 1.00 23.32 O ATOM 874 CB LEU A 58 -3.009 5.803 -7.300 1.00 61.11 C ATOM 875 CG LEU A 58 -4.442 6.424 -7.302 1.00 30.01 C ATOM 876 CD1 LEU A 58 -4.863 6.752 -5.878 1.00 3.43 C ATOM 877 CD2 LEU A 58 -4.515 7.688 -8.133 1.00 64.11 C ATOM 0 HA LEU A 58 -1.445 4.779 -8.288 1.00 52.42 H new ATOM 0 HB2 LEU A 58 -3.000 5.016 -6.546 1.00 61.11 H new ATOM 0 HB3 LEU A 58 -2.323 6.578 -6.960 1.00 61.11 H new ATOM 0 HG LEU A 58 -5.112 5.686 -7.742 1.00 30.01 H new ATOM 0 HD11 LEU A 58 -5.863 7.185 -5.885 1.00 3.43 H new ATOM 0 HD12 LEU A 58 -4.866 5.840 -5.280 1.00 3.43 H new ATOM 0 HD13 LEU A 58 -4.162 7.466 -5.447 1.00 3.43 H new ATOM 0 HD21 LEU A 58 -5.530 8.084 -8.105 1.00 64.11 H new ATOM 0 HD22 LEU A 58 -3.825 8.429 -7.729 1.00 64.11 H new ATOM 0 HD23 LEU A 58 -4.242 7.462 -9.164 1.00 64.11 H new ATOM 889 N ARG A 59 -2.598 3.060 -9.660 1.00 54.34 N ATOM 890 CA ARG A 59 -3.271 2.015 -10.335 1.00 14.32 C ATOM 891 C ARG A 59 -2.915 0.665 -9.812 1.00 11.54 C ATOM 892 O ARG A 59 -1.874 0.466 -9.172 1.00 1.53 O ATOM 893 CB ARG A 59 -3.181 2.116 -11.869 1.00 4.25 C ATOM 894 CG ARG A 59 -1.808 2.161 -12.482 1.00 65.30 C ATOM 895 CD ARG A 59 -1.960 2.293 -13.985 1.00 61.25 C ATOM 896 NE ARG A 59 -0.693 2.340 -14.709 1.00 24.20 N ATOM 897 CZ ARG A 59 -0.600 2.423 -16.036 1.00 10.41 C ATOM 898 NH1 ARG A 59 -1.701 2.505 -16.780 1.00 22.43 N ATOM 899 NH2 ARG A 59 0.584 2.418 -16.618 1.00 31.44 N ATOM 0 H ARG A 59 -1.593 2.921 -9.559 1.00 54.34 H new ATOM 0 HA ARG A 59 -4.328 2.153 -10.105 1.00 14.32 H new ATOM 0 HB2 ARG A 59 -3.711 1.264 -12.294 1.00 4.25 H new ATOM 0 HB3 ARG A 59 -3.718 3.013 -12.179 1.00 4.25 H new ATOM 0 HG2 ARG A 59 -1.242 3.002 -12.083 1.00 65.30 H new ATOM 0 HG3 ARG A 59 -1.252 1.256 -12.235 1.00 65.30 H new ATOM 0 HD2 ARG A 59 -2.547 1.453 -14.355 1.00 61.25 H new ATOM 0 HD3 ARG A 59 -2.526 3.199 -14.204 1.00 61.25 H new ATOM 0 HE ARG A 59 0.171 2.307 -14.168 1.00 24.20 H new ATOM 0 HH11 ARG A 59 -2.619 2.504 -16.335 1.00 22.43 H new ATOM 0 HH12 ARG A 59 -1.627 2.568 -17.795 1.00 22.43 H new ATOM 0 HH21 ARG A 59 1.430 2.351 -16.052 1.00 31.44 H new ATOM 0 HH22 ARG A 59 0.653 2.482 -17.634 1.00 31.44 H new ATOM 913 N LEU A 60 -3.762 -0.254 -10.086 1.00 32.41 N ATOM 914 CA LEU A 60 -3.661 -1.542 -9.528 1.00 51.31 C ATOM 915 C LEU A 60 -3.402 -2.591 -10.562 1.00 24.24 C ATOM 916 O LEU A 60 -3.853 -2.499 -11.715 1.00 62.24 O ATOM 917 CB LEU A 60 -4.937 -1.815 -8.747 1.00 35.30 C ATOM 918 CG LEU A 60 -6.242 -1.711 -9.539 1.00 55.11 C ATOM 919 CD1 LEU A 60 -6.619 -2.998 -10.255 1.00 21.45 C ATOM 920 CD2 LEU A 60 -7.339 -1.191 -8.688 1.00 25.44 C ATOM 0 H LEU A 60 -4.556 -0.128 -10.714 1.00 32.41 H new ATOM 0 HA LEU A 60 -2.802 -1.582 -8.859 1.00 51.31 H new ATOM 0 HB2 LEU A 60 -4.872 -2.816 -8.321 1.00 35.30 H new ATOM 0 HB3 LEU A 60 -4.985 -1.116 -7.912 1.00 35.30 H new ATOM 0 HG LEU A 60 -6.069 -0.987 -10.336 1.00 55.11 H new ATOM 0 HD11 LEU A 60 -7.554 -2.853 -10.796 1.00 21.45 H new ATOM 0 HD12 LEU A 60 -5.831 -3.268 -10.958 1.00 21.45 H new ATOM 0 HD13 LEU A 60 -6.743 -3.798 -9.525 1.00 21.45 H new ATOM 0 HD21 LEU A 60 -8.255 -1.127 -9.275 1.00 25.44 H new ATOM 0 HD22 LEU A 60 -7.495 -1.863 -7.844 1.00 25.44 H new ATOM 0 HD23 LEU A 60 -7.074 -0.200 -8.319 1.00 25.44 H new ATOM 932 N ILE A 61 -2.674 -3.563 -10.157 1.00 72.54 N ATOM 933 CA ILE A 61 -2.369 -4.685 -10.948 1.00 23.22 C ATOM 934 C ILE A 61 -2.965 -5.892 -10.281 1.00 60.44 C ATOM 935 O ILE A 61 -2.662 -6.214 -9.118 1.00 63.34 O ATOM 936 CB ILE A 61 -0.846 -4.856 -11.093 1.00 15.01 C ATOM 937 CG1 ILE A 61 -0.278 -3.633 -11.782 1.00 24.41 C ATOM 938 CG2 ILE A 61 -0.503 -6.126 -11.877 1.00 70.45 C ATOM 939 CD1 ILE A 61 1.223 -3.587 -11.832 1.00 51.42 C ATOM 0 H ILE A 61 -2.259 -3.596 -9.226 1.00 72.54 H new ATOM 0 HA ILE A 61 -2.781 -4.557 -11.949 1.00 23.22 H new ATOM 0 HB ILE A 61 -0.403 -4.958 -10.102 1.00 15.01 H new ATOM 0 HG12 ILE A 61 -0.664 -3.593 -12.800 1.00 24.41 H new ATOM 0 HG13 ILE A 61 -0.639 -2.742 -11.269 1.00 24.41 H new ATOM 0 HG21 ILE A 61 0.580 -6.219 -11.963 1.00 70.45 H new ATOM 0 HG22 ILE A 61 -0.902 -6.995 -11.354 1.00 70.45 H new ATOM 0 HG23 ILE A 61 -0.942 -6.069 -12.873 1.00 70.45 H new ATOM 0 HD11 ILE A 61 1.542 -2.678 -12.342 1.00 51.42 H new ATOM 0 HD12 ILE A 61 1.621 -3.592 -10.817 1.00 51.42 H new ATOM 0 HD13 ILE A 61 1.596 -4.457 -12.373 1.00 51.42 H new ATOM 951 N TYR A 62 -3.772 -6.556 -10.990 1.00 53.14 N ATOM 952 CA TYR A 62 -4.435 -7.685 -10.497 1.00 62.12 C ATOM 953 C TYR A 62 -3.673 -8.866 -11.026 1.00 52.31 C ATOM 954 O TYR A 62 -3.878 -9.317 -12.155 1.00 11.05 O ATOM 955 CB TYR A 62 -5.901 -7.642 -10.971 1.00 35.14 C ATOM 956 CG TYR A 62 -6.806 -8.738 -10.463 1.00 12.55 C ATOM 957 CD1 TYR A 62 -6.808 -9.107 -9.130 1.00 2.23 C ATOM 958 CD2 TYR A 62 -7.673 -9.388 -11.326 1.00 41.11 C ATOM 959 CE1 TYR A 62 -7.641 -10.098 -8.670 1.00 12.43 C ATOM 960 CE2 TYR A 62 -8.513 -10.378 -10.880 1.00 61.30 C ATOM 961 CZ TYR A 62 -8.494 -10.733 -9.548 1.00 62.33 C ATOM 962 OH TYR A 62 -9.323 -11.734 -9.094 1.00 62.42 O ATOM 0 H TYR A 62 -3.999 -6.326 -11.957 1.00 53.14 H new ATOM 0 HA TYR A 62 -4.467 -7.737 -9.409 1.00 62.12 H new ATOM 0 HB2 TYR A 62 -6.327 -6.683 -10.675 1.00 35.14 H new ATOM 0 HB3 TYR A 62 -5.908 -7.671 -12.061 1.00 35.14 H new ATOM 0 HD1 TYR A 62 -6.144 -8.608 -8.440 1.00 2.23 H new ATOM 0 HD2 TYR A 62 -7.688 -9.111 -12.370 1.00 41.11 H new ATOM 0 HE1 TYR A 62 -7.628 -10.378 -7.627 1.00 12.43 H new ATOM 0 HE2 TYR A 62 -9.183 -10.874 -11.567 1.00 61.30 H new ATOM 0 HH TYR A 62 -9.861 -12.076 -9.838 1.00 62.42 H new ATOM 972 N GLN A 63 -2.682 -9.259 -10.222 1.00 52.13 N ATOM 973 CA GLN A 63 -1.738 -10.314 -10.511 1.00 12.20 C ATOM 974 C GLN A 63 -0.753 -9.939 -11.629 1.00 21.41 C ATOM 975 O GLN A 63 0.428 -9.686 -11.350 1.00 44.34 O ATOM 976 CB GLN A 63 -2.439 -11.644 -10.703 1.00 73.25 C ATOM 977 CG GLN A 63 -3.130 -12.092 -9.422 1.00 44.14 C ATOM 978 CD GLN A 63 -4.006 -13.312 -9.593 1.00 43.53 C ATOM 979 OE1 GLN A 63 -3.556 -14.446 -9.433 1.00 32.41 O ATOM 980 NE2 GLN A 63 -5.253 -13.093 -9.914 1.00 55.42 N ATOM 0 H GLN A 63 -2.518 -8.824 -9.314 1.00 52.13 H new ATOM 0 HA GLN A 63 -1.102 -10.443 -9.635 1.00 12.20 H new ATOM 0 HB2 GLN A 63 -3.173 -11.559 -11.505 1.00 73.25 H new ATOM 0 HB3 GLN A 63 -1.715 -12.398 -11.012 1.00 73.25 H new ATOM 0 HG2 GLN A 63 -2.373 -12.304 -8.667 1.00 44.14 H new ATOM 0 HG3 GLN A 63 -3.738 -11.271 -9.042 1.00 44.14 H new ATOM 0 HE21 GLN A 63 -5.588 -12.137 -10.038 1.00 55.42 H new ATOM 0 HE22 GLN A 63 -5.892 -13.878 -10.041 1.00 55.42 H new ATOM 989 N GLY A 64 -1.224 -9.847 -12.851 1.00 50.51 N ATOM 990 CA GLY A 64 -0.336 -9.483 -13.947 1.00 74.44 C ATOM 991 C GLY A 64 -0.947 -8.471 -14.894 1.00 54.12 C ATOM 992 O GLY A 64 -0.331 -8.089 -15.885 1.00 30.13 O ATOM 0 H GLY A 64 -2.195 -10.014 -13.115 1.00 50.51 H new ATOM 0 HA2 GLY A 64 0.589 -9.077 -13.538 1.00 74.44 H new ATOM 0 HA3 GLY A 64 -0.071 -10.381 -14.505 1.00 74.44 H new ATOM 996 N ARG A 65 -2.144 -8.023 -14.591 1.00 41.31 N ATOM 997 CA ARG A 65 -2.849 -7.099 -15.465 1.00 53.23 C ATOM 998 C ARG A 65 -3.397 -5.898 -14.707 1.00 2.20 C ATOM 999 O ARG A 65 -3.881 -6.036 -13.585 1.00 21.32 O ATOM 1000 CB ARG A 65 -3.971 -7.830 -16.194 1.00 51.21 C ATOM 1001 CG ARG A 65 -4.928 -8.567 -15.270 1.00 65.20 C ATOM 1002 CD ARG A 65 -6.027 -9.243 -16.048 1.00 64.34 C ATOM 1003 NE ARG A 65 -6.905 -10.029 -15.186 1.00 22.32 N ATOM 1004 CZ ARG A 65 -8.195 -10.264 -15.436 1.00 43.31 C ATOM 1005 NH1 ARG A 65 -8.788 -9.684 -16.472 1.00 14.10 N ATOM 1006 NH2 ARG A 65 -8.894 -11.069 -14.643 1.00 51.11 N ATOM 0 H ARG A 65 -2.654 -8.281 -13.746 1.00 41.31 H new ATOM 0 HA ARG A 65 -2.133 -6.717 -16.193 1.00 53.23 H new ATOM 0 HB2 ARG A 65 -4.536 -7.110 -16.787 1.00 51.21 H new ATOM 0 HB3 ARG A 65 -3.533 -8.544 -16.892 1.00 51.21 H new ATOM 0 HG2 ARG A 65 -4.379 -9.310 -14.691 1.00 65.20 H new ATOM 0 HG3 ARG A 65 -5.362 -7.865 -14.558 1.00 65.20 H new ATOM 0 HD2 ARG A 65 -6.614 -8.490 -16.574 1.00 64.34 H new ATOM 0 HD3 ARG A 65 -5.588 -9.892 -16.806 1.00 64.34 H new ATOM 0 HE ARG A 65 -6.506 -10.425 -14.335 1.00 22.32 H new ATOM 0 HH11 ARG A 65 -8.258 -9.058 -17.078 1.00 14.10 H new ATOM 0 HH12 ARG A 65 -9.774 -9.864 -16.662 1.00 14.10 H new ATOM 0 HH21 ARG A 65 -8.445 -11.510 -13.840 1.00 51.11 H new ATOM 0 HH22 ARG A 65 -9.880 -11.246 -14.837 1.00 51.11 H new ATOM 1020 N PHE A 66 -3.321 -4.736 -15.313 1.00 53.44 N ATOM 1021 CA PHE A 66 -3.862 -3.522 -14.718 1.00 71.43 C ATOM 1022 C PHE A 66 -5.359 -3.477 -15.045 1.00 13.40 C ATOM 1023 O PHE A 66 -5.730 -3.377 -16.224 1.00 53.31 O ATOM 1024 CB PHE A 66 -3.201 -2.263 -15.328 1.00 23.21 C ATOM 1025 CG PHE A 66 -1.688 -2.178 -15.266 1.00 12.44 C ATOM 1026 CD1 PHE A 66 -0.917 -2.843 -16.205 1.00 64.15 C ATOM 1027 CD2 PHE A 66 -1.039 -1.412 -14.299 1.00 31.41 C ATOM 1028 CE1 PHE A 66 0.458 -2.759 -16.185 1.00 52.34 C ATOM 1029 CE2 PHE A 66 0.338 -1.322 -14.286 1.00 70.22 C ATOM 1030 CZ PHE A 66 1.086 -1.999 -15.227 1.00 75.30 C ATOM 0 H PHE A 66 -2.887 -4.599 -16.226 1.00 53.44 H new ATOM 0 HA PHE A 66 -3.674 -3.532 -13.644 1.00 71.43 H new ATOM 0 HB2 PHE A 66 -3.501 -2.197 -16.374 1.00 23.21 H new ATOM 0 HB3 PHE A 66 -3.610 -1.388 -14.823 1.00 23.21 H new ATOM 0 HD1 PHE A 66 -1.402 -3.437 -16.965 1.00 64.15 H new ATOM 0 HD2 PHE A 66 -1.618 -0.885 -13.555 1.00 31.41 H new ATOM 0 HE1 PHE A 66 1.042 -3.290 -16.922 1.00 52.34 H new ATOM 0 HE2 PHE A 66 0.831 -0.720 -13.537 1.00 70.22 H new ATOM 0 HZ PHE A 66 2.164 -1.932 -15.211 1.00 75.30 H new ATOM 1040 N LEU A 67 -6.215 -3.586 -14.050 1.00 42.10 N ATOM 1041 CA LEU A 67 -7.668 -3.544 -14.331 1.00 65.03 C ATOM 1042 C LEU A 67 -8.183 -2.142 -14.525 1.00 32.32 C ATOM 1043 O LEU A 67 -8.912 -1.867 -15.472 1.00 11.14 O ATOM 1044 CB LEU A 67 -8.514 -4.314 -13.315 1.00 53.42 C ATOM 1045 CG LEU A 67 -8.321 -5.833 -13.281 1.00 5.33 C ATOM 1046 CD1 LEU A 67 -9.291 -6.457 -12.306 1.00 43.42 C ATOM 1047 CD2 LEU A 67 -8.498 -6.439 -14.669 1.00 11.42 C ATOM 0 H LEU A 67 -5.962 -3.701 -13.069 1.00 42.10 H new ATOM 0 HA LEU A 67 -7.781 -4.067 -15.281 1.00 65.03 H new ATOM 0 HB2 LEU A 67 -8.298 -3.920 -12.322 1.00 53.42 H new ATOM 0 HB3 LEU A 67 -9.565 -4.107 -13.519 1.00 53.42 H new ATOM 0 HG LEU A 67 -7.303 -6.041 -12.951 1.00 5.33 H new ATOM 0 HD11 LEU A 67 -9.146 -7.537 -12.289 1.00 43.42 H new ATOM 0 HD12 LEU A 67 -9.116 -6.052 -11.309 1.00 43.42 H new ATOM 0 HD13 LEU A 67 -10.312 -6.233 -12.615 1.00 43.42 H new ATOM 0 HD21 LEU A 67 -8.356 -7.518 -14.616 1.00 11.42 H new ATOM 0 HD22 LEU A 67 -9.502 -6.223 -15.035 1.00 11.42 H new ATOM 0 HD23 LEU A 67 -7.763 -6.009 -15.350 1.00 11.42 H new ATOM 1059 N HIS A 68 -7.795 -1.262 -13.653 1.00 51.02 N ATOM 1060 CA HIS A 68 -8.178 0.125 -13.723 1.00 12.32 C ATOM 1061 C HIS A 68 -7.316 0.794 -12.695 1.00 42.23 C ATOM 1062 O HIS A 68 -6.649 0.092 -11.934 1.00 2.44 O ATOM 1063 CB HIS A 68 -9.677 0.283 -13.359 1.00 60.01 C ATOM 1064 CG HIS A 68 -10.332 1.566 -13.823 1.00 14.52 C ATOM 1065 ND1 HIS A 68 -10.259 2.833 -13.365 1.00 42.34 N flip ATOM 1066 CD2 HIS A 68 -11.215 1.605 -14.869 1.00 51.04 C flip ATOM 1067 CE1 HIS A 68 -11.087 3.592 -14.139 1.00 32.55 C flip ATOM 1068 NE2 HIS A 68 -11.649 2.826 -15.039 1.00 23.44 N flip ATOM 0 H HIS A 68 -7.195 -1.485 -12.859 1.00 51.02 H new ATOM 0 HA HIS A 68 -8.049 0.551 -14.718 1.00 12.32 H new ATOM 0 HB2 HIS A 68 -10.226 -0.558 -13.783 1.00 60.01 H new ATOM 0 HB3 HIS A 68 -9.778 0.216 -12.276 1.00 60.01 H new ATOM 0 HD2 HIS A 68 -11.509 0.754 -15.465 1.00 51.04 H new ATOM 0 HE1 HIS A 68 -11.252 4.653 -14.027 1.00 32.55 H new ATOM 0 HE2 HIS A 68 -12.313 3.130 -15.752 1.00 23.44 H new ATOM 1077 N GLY A 69 -7.293 2.093 -12.669 1.00 53.11 N ATOM 1078 CA GLY A 69 -6.504 2.778 -11.695 1.00 64.24 C ATOM 1079 C GLY A 69 -6.951 2.530 -10.270 1.00 53.10 C ATOM 1080 O GLY A 69 -6.168 2.159 -9.439 1.00 11.11 O ATOM 0 H GLY A 69 -7.810 2.696 -13.309 1.00 53.11 H new ATOM 0 HA2 GLY A 69 -5.464 2.469 -11.800 1.00 64.24 H new ATOM 0 HA3 GLY A 69 -6.541 3.848 -11.897 1.00 64.24 H new ATOM 1084 N ASN A 70 -8.213 2.630 -10.018 1.00 32.14 N ATOM 1085 CA ASN A 70 -8.699 2.578 -8.679 1.00 33.42 C ATOM 1086 C ASN A 70 -10.110 2.052 -8.676 1.00 21.14 C ATOM 1087 O ASN A 70 -11.083 2.787 -8.564 1.00 42.01 O ATOM 1088 CB ASN A 70 -8.539 3.965 -8.000 1.00 61.05 C ATOM 1089 CG ASN A 70 -9.038 4.044 -6.573 1.00 54.44 C ATOM 1090 OD1 ASN A 70 -8.315 3.707 -5.626 1.00 25.14 O ATOM 1091 ND2 ASN A 70 -10.243 4.535 -6.404 1.00 11.04 N ATOM 0 H ASN A 70 -8.934 2.749 -10.730 1.00 32.14 H new ATOM 0 HA ASN A 70 -8.109 1.883 -8.081 1.00 33.42 H new ATOM 0 HB2 ASN A 70 -7.484 4.240 -8.015 1.00 61.05 H new ATOM 0 HB3 ASN A 70 -9.070 4.707 -8.596 1.00 61.05 H new ATOM 0 HD21 ASN A 70 -10.619 4.652 -5.463 1.00 11.04 H new ATOM 0 HD22 ASN A 70 -10.804 4.800 -7.214 1.00 11.04 H new ATOM 1098 N VAL A 71 -10.193 0.779 -8.940 1.00 23.13 N ATOM 1099 CA VAL A 71 -11.429 0.044 -8.965 1.00 4.24 C ATOM 1100 C VAL A 71 -11.542 -0.741 -7.654 1.00 3.43 C ATOM 1101 O VAL A 71 -10.515 -1.058 -7.032 1.00 71.14 O ATOM 1102 CB VAL A 71 -11.521 -0.870 -10.262 1.00 73.34 C ATOM 1103 CG1 VAL A 71 -10.385 -1.868 -10.391 1.00 72.54 C ATOM 1104 CG2 VAL A 71 -12.846 -1.560 -10.378 1.00 23.50 C ATOM 0 H VAL A 71 -9.377 0.204 -9.151 1.00 23.13 H new ATOM 0 HA VAL A 71 -12.282 0.719 -9.032 1.00 4.24 H new ATOM 0 HB VAL A 71 -11.422 -0.176 -11.097 1.00 73.34 H new ATOM 0 HG11 VAL A 71 -10.518 -2.455 -11.300 1.00 72.54 H new ATOM 0 HG12 VAL A 71 -9.436 -1.335 -10.439 1.00 72.54 H new ATOM 0 HG13 VAL A 71 -10.385 -2.533 -9.527 1.00 72.54 H new ATOM 0 HG21 VAL A 71 -12.860 -2.172 -11.280 1.00 23.50 H new ATOM 0 HG22 VAL A 71 -13.003 -2.195 -9.506 1.00 23.50 H new ATOM 0 HG23 VAL A 71 -13.640 -0.816 -10.433 1.00 23.50 H new ATOM 1114 N THR A 72 -12.749 -0.993 -7.208 1.00 55.14 N ATOM 1115 CA THR A 72 -12.966 -1.650 -5.939 1.00 20.52 C ATOM 1116 C THR A 72 -12.737 -3.158 -6.045 1.00 41.23 C ATOM 1117 O THR A 72 -12.808 -3.731 -7.137 1.00 54.12 O ATOM 1118 CB THR A 72 -14.383 -1.352 -5.410 1.00 71.44 C ATOM 1119 OG1 THR A 72 -15.356 -1.709 -6.403 1.00 21.51 O ATOM 1120 CG2 THR A 72 -14.536 0.123 -5.065 1.00 24.44 C ATOM 0 H THR A 72 -13.604 -0.751 -7.709 1.00 55.14 H new ATOM 0 HA THR A 72 -12.239 -1.253 -5.230 1.00 20.52 H new ATOM 0 HB THR A 72 -14.540 -1.941 -4.506 1.00 71.44 H new ATOM 0 HG1 THR A 72 -16.255 -1.520 -6.063 1.00 21.51 H new ATOM 0 HG21 THR A 72 -15.544 0.307 -4.694 1.00 24.44 H new ATOM 0 HG22 THR A 72 -13.812 0.394 -4.297 1.00 24.44 H new ATOM 0 HG23 THR A 72 -14.362 0.725 -5.957 1.00 24.44 H new ATOM 1128 N LEU A 73 -12.477 -3.795 -4.912 1.00 14.12 N ATOM 1129 CA LEU A 73 -12.160 -5.209 -4.882 1.00 64.32 C ATOM 1130 C LEU A 73 -13.373 -6.053 -5.260 1.00 30.40 C ATOM 1131 O LEU A 73 -13.239 -7.112 -5.865 1.00 2.54 O ATOM 1132 CB LEU A 73 -11.627 -5.634 -3.516 1.00 42.12 C ATOM 1133 CG LEU A 73 -10.445 -4.830 -2.926 1.00 72.53 C ATOM 1134 CD1 LEU A 73 -9.339 -4.595 -3.930 1.00 33.44 C ATOM 1135 CD2 LEU A 73 -10.881 -3.547 -2.239 1.00 64.42 C ATOM 0 H LEU A 73 -12.481 -3.347 -3.996 1.00 14.12 H new ATOM 0 HA LEU A 73 -11.376 -5.379 -5.620 1.00 64.32 H new ATOM 0 HB2 LEU A 73 -12.452 -5.589 -2.805 1.00 42.12 H new ATOM 0 HB3 LEU A 73 -11.322 -6.678 -3.585 1.00 42.12 H new ATOM 0 HG LEU A 73 -10.024 -5.462 -2.144 1.00 72.53 H new ATOM 0 HD11 LEU A 73 -8.536 -4.026 -3.461 1.00 33.44 H new ATOM 0 HD12 LEU A 73 -8.951 -5.553 -4.275 1.00 33.44 H new ATOM 0 HD13 LEU A 73 -9.731 -4.036 -4.779 1.00 33.44 H new ATOM 0 HD21 LEU A 73 -10.006 -3.029 -1.846 1.00 64.42 H new ATOM 0 HD22 LEU A 73 -11.391 -2.905 -2.957 1.00 64.42 H new ATOM 0 HD23 LEU A 73 -11.559 -3.785 -1.420 1.00 64.42 H new ATOM 1147 N GLY A 74 -14.560 -5.573 -4.906 1.00 32.41 N ATOM 1148 CA GLY A 74 -15.782 -6.254 -5.296 1.00 35.42 C ATOM 1149 C GLY A 74 -15.942 -6.248 -6.800 1.00 72.43 C ATOM 1150 O GLY A 74 -16.367 -7.243 -7.406 1.00 32.31 O ATOM 0 H GLY A 74 -14.699 -4.725 -4.356 1.00 32.41 H new ATOM 0 HA2 GLY A 74 -15.764 -7.281 -4.932 1.00 35.42 H new ATOM 0 HA3 GLY A 74 -16.640 -5.766 -4.832 1.00 35.42 H new ATOM 1154 N ALA A 75 -15.538 -5.140 -7.408 1.00 12.41 N ATOM 1155 CA ALA A 75 -15.605 -4.958 -8.846 1.00 72.40 C ATOM 1156 C ALA A 75 -14.560 -5.830 -9.556 1.00 74.21 C ATOM 1157 O ALA A 75 -14.638 -6.050 -10.771 1.00 11.53 O ATOM 1158 CB ALA A 75 -15.440 -3.489 -9.208 1.00 35.42 C ATOM 0 H ALA A 75 -15.152 -4.338 -6.910 1.00 12.41 H new ATOM 0 HA ALA A 75 -16.589 -5.278 -9.188 1.00 72.40 H new ATOM 0 HB1 ALA A 75 -15.493 -3.373 -10.290 1.00 35.42 H new ATOM 0 HB2 ALA A 75 -16.235 -2.908 -8.741 1.00 35.42 H new ATOM 0 HB3 ALA A 75 -14.473 -3.133 -8.852 1.00 35.42 H new ATOM 1164 N LEU A 76 -13.592 -6.331 -8.786 1.00 11.31 N ATOM 1165 CA LEU A 76 -12.535 -7.214 -9.290 1.00 11.21 C ATOM 1166 C LEU A 76 -13.041 -8.663 -9.359 1.00 54.14 C ATOM 1167 O LEU A 76 -12.266 -9.584 -9.638 1.00 15.21 O ATOM 1168 CB LEU A 76 -11.357 -7.216 -8.333 1.00 71.35 C ATOM 1169 CG LEU A 76 -10.655 -5.914 -8.020 1.00 31.22 C ATOM 1170 CD1 LEU A 76 -9.607 -6.193 -6.994 1.00 52.14 C ATOM 1171 CD2 LEU A 76 -9.991 -5.358 -9.229 1.00 11.54 C ATOM 0 H LEU A 76 -13.518 -6.135 -7.788 1.00 11.31 H new ATOM 0 HA LEU A 76 -12.244 -6.851 -10.276 1.00 11.21 H new ATOM 0 HB2 LEU A 76 -11.703 -7.637 -7.389 1.00 71.35 H new ATOM 0 HB3 LEU A 76 -10.611 -7.902 -8.734 1.00 71.35 H new ATOM 0 HG LEU A 76 -11.389 -5.191 -7.663 1.00 31.22 H new ATOM 0 HD11 LEU A 76 -9.083 -5.269 -6.748 1.00 52.14 H new ATOM 0 HD12 LEU A 76 -10.075 -6.594 -6.095 1.00 52.14 H new ATOM 0 HD13 LEU A 76 -8.896 -6.919 -7.388 1.00 52.14 H new ATOM 0 HD21 LEU A 76 -9.495 -4.422 -8.973 1.00 11.54 H new ATOM 0 HD22 LEU A 76 -9.254 -6.070 -9.599 1.00 11.54 H new ATOM 0 HD23 LEU A 76 -10.737 -5.174 -10.002 1.00 11.54 H new ATOM 1183 N LYS A 77 -14.342 -8.848 -9.091 1.00 30.02 N ATOM 1184 CA LYS A 77 -15.030 -10.166 -9.092 1.00 44.03 C ATOM 1185 C LYS A 77 -14.719 -10.974 -7.822 1.00 15.44 C ATOM 1186 O LYS A 77 -15.061 -12.161 -7.737 1.00 43.23 O ATOM 1187 CB LYS A 77 -14.755 -11.050 -10.367 1.00 52.45 C ATOM 1188 CG LYS A 77 -15.209 -10.494 -11.733 1.00 24.40 C ATOM 1189 CD LYS A 77 -14.362 -9.322 -12.220 1.00 24.52 C ATOM 1190 CE LYS A 77 -14.861 -8.778 -13.554 1.00 23.00 C ATOM 1191 NZ LYS A 77 -14.756 -9.760 -14.664 1.00 12.12 N ATOM 0 H LYS A 77 -14.966 -8.075 -8.862 1.00 30.02 H new ATOM 0 HA LYS A 77 -16.090 -9.913 -9.114 1.00 44.03 H new ATOM 0 HB2 LYS A 77 -13.683 -11.238 -10.420 1.00 52.45 H new ATOM 0 HB3 LYS A 77 -15.241 -12.014 -10.218 1.00 52.45 H new ATOM 0 HG2 LYS A 77 -15.171 -11.293 -12.473 1.00 24.40 H new ATOM 0 HG3 LYS A 77 -16.249 -10.176 -11.660 1.00 24.40 H new ATOM 0 HD2 LYS A 77 -14.379 -8.527 -11.474 1.00 24.52 H new ATOM 0 HD3 LYS A 77 -13.325 -9.641 -12.323 1.00 24.52 H new ATOM 0 HE2 LYS A 77 -15.901 -8.470 -13.447 1.00 23.00 H new ATOM 0 HE3 LYS A 77 -14.290 -7.886 -13.812 1.00 23.00 H new ATOM 0 HZ1 LYS A 77 -14.998 -9.295 -15.563 1.00 12.12 H new ATOM 0 HZ2 LYS A 77 -13.783 -10.125 -14.714 1.00 12.12 H new ATOM 0 HZ3 LYS A 77 -15.413 -10.548 -14.494 1.00 12.12 H new ATOM 1205 N LEU A 78 -14.100 -10.328 -6.838 1.00 21.33 N ATOM 1206 CA LEU A 78 -13.762 -10.984 -5.569 1.00 13.22 C ATOM 1207 C LEU A 78 -14.977 -11.245 -4.695 1.00 52.53 C ATOM 1208 O LEU A 78 -15.699 -10.312 -4.314 1.00 61.03 O ATOM 1209 CB LEU A 78 -12.711 -10.205 -4.755 1.00 2.54 C ATOM 1210 CG LEU A 78 -11.223 -10.433 -5.088 1.00 34.54 C ATOM 1211 CD1 LEU A 78 -10.915 -10.198 -6.543 1.00 71.31 C ATOM 1212 CD2 LEU A 78 -10.361 -9.532 -4.221 1.00 74.43 C ATOM 0 H LEU A 78 -13.820 -9.349 -6.891 1.00 21.33 H new ATOM 0 HA LEU A 78 -13.335 -11.943 -5.863 1.00 13.22 H new ATOM 0 HB2 LEU A 78 -12.920 -9.142 -4.871 1.00 2.54 H new ATOM 0 HB3 LEU A 78 -12.858 -10.446 -3.702 1.00 2.54 H new ATOM 0 HG LEU A 78 -10.998 -11.479 -4.879 1.00 34.54 H new ATOM 0 HD11 LEU A 78 -9.854 -10.372 -6.723 1.00 71.31 H new ATOM 0 HD12 LEU A 78 -11.504 -10.882 -7.155 1.00 71.31 H new ATOM 0 HD13 LEU A 78 -11.164 -9.170 -6.806 1.00 71.31 H new ATOM 0 HD21 LEU A 78 -9.310 -9.696 -4.459 1.00 74.43 H new ATOM 0 HD22 LEU A 78 -10.618 -8.490 -4.411 1.00 74.43 H new ATOM 0 HD23 LEU A 78 -10.535 -9.763 -3.170 1.00 74.43 H new ATOM 1224 N PRO A 79 -15.238 -12.519 -4.392 1.00 42.13 N ATOM 1225 CA PRO A 79 -16.269 -12.912 -3.453 1.00 65.24 C ATOM 1226 C PRO A 79 -15.783 -12.680 -2.028 1.00 1.24 C ATOM 1227 O PRO A 79 -14.565 -12.609 -1.775 1.00 65.43 O ATOM 1228 CB PRO A 79 -16.450 -14.420 -3.700 1.00 32.14 C ATOM 1229 CG PRO A 79 -15.615 -14.732 -4.892 1.00 63.34 C ATOM 1230 CD PRO A 79 -14.563 -13.675 -4.956 1.00 40.45 C ATOM 0 HA PRO A 79 -17.193 -12.349 -3.581 1.00 65.24 H new ATOM 0 HB2 PRO A 79 -16.130 -15.000 -2.834 1.00 32.14 H new ATOM 0 HB3 PRO A 79 -17.497 -14.665 -3.879 1.00 32.14 H new ATOM 0 HG2 PRO A 79 -15.167 -15.722 -4.804 1.00 63.34 H new ATOM 0 HG3 PRO A 79 -16.219 -14.735 -5.800 1.00 63.34 H new ATOM 0 HD2 PRO A 79 -13.679 -13.948 -4.380 1.00 40.45 H new ATOM 0 HD3 PRO A 79 -14.234 -13.493 -5.979 1.00 40.45 H new ATOM 1238 N PHE A 80 -16.698 -12.585 -1.106 1.00 21.24 N ATOM 1239 CA PHE A 80 -16.347 -12.297 0.262 1.00 3.11 C ATOM 1240 C PHE A 80 -15.799 -13.558 0.920 1.00 21.32 C ATOM 1241 O PHE A 80 -16.090 -14.675 0.477 1.00 13.41 O ATOM 1242 CB PHE A 80 -17.569 -11.853 1.055 1.00 73.43 C ATOM 1243 CG PHE A 80 -18.454 -10.836 0.396 1.00 50.41 C ATOM 1244 CD1 PHE A 80 -17.936 -9.735 -0.265 1.00 73.14 C ATOM 1245 CD2 PHE A 80 -19.822 -10.994 0.454 1.00 41.35 C ATOM 1246 CE1 PHE A 80 -18.780 -8.815 -0.864 1.00 22.45 C ATOM 1247 CE2 PHE A 80 -20.667 -10.080 -0.140 1.00 1.41 C ATOM 1248 CZ PHE A 80 -20.146 -8.989 -0.801 1.00 73.32 C ATOM 0 H PHE A 80 -17.697 -12.703 -1.274 1.00 21.24 H new ATOM 0 HA PHE A 80 -15.603 -11.500 0.258 1.00 3.11 H new ATOM 0 HB2 PHE A 80 -18.169 -12.734 1.281 1.00 73.43 H new ATOM 0 HB3 PHE A 80 -17.230 -11.446 2.007 1.00 73.43 H new ATOM 0 HD1 PHE A 80 -16.867 -9.593 -0.314 1.00 73.14 H new ATOM 0 HD2 PHE A 80 -20.238 -11.846 0.972 1.00 41.35 H new ATOM 0 HE1 PHE A 80 -18.368 -7.961 -1.381 1.00 22.45 H new ATOM 0 HE2 PHE A 80 -21.737 -10.219 -0.087 1.00 1.41 H new ATOM 0 HZ PHE A 80 -20.806 -8.273 -1.268 1.00 73.32 H new ATOM 1258 N GLY A 81 -15.020 -13.385 1.957 1.00 74.51 N ATOM 1259 CA GLY A 81 -14.498 -14.521 2.695 1.00 1.20 C ATOM 1260 C GLY A 81 -13.308 -15.179 2.030 1.00 45.44 C ATOM 1261 O GLY A 81 -12.876 -16.263 2.444 1.00 54.12 O ATOM 0 H GLY A 81 -14.730 -12.474 2.313 1.00 74.51 H new ATOM 0 HA2 GLY A 81 -14.211 -14.194 3.694 1.00 1.20 H new ATOM 0 HA3 GLY A 81 -15.290 -15.260 2.817 1.00 1.20 H new ATOM 1265 N LYS A 82 -12.775 -14.548 1.019 1.00 44.31 N ATOM 1266 CA LYS A 82 -11.644 -15.087 0.328 1.00 33.14 C ATOM 1267 C LYS A 82 -10.432 -14.202 0.481 1.00 44.51 C ATOM 1268 O LYS A 82 -10.555 -12.998 0.753 1.00 32.41 O ATOM 1269 CB LYS A 82 -11.956 -15.323 -1.137 1.00 20.40 C ATOM 1270 CG LYS A 82 -13.075 -16.322 -1.354 1.00 0.32 C ATOM 1271 CD LYS A 82 -13.249 -16.606 -2.809 1.00 31.15 C ATOM 1272 CE LYS A 82 -14.403 -17.572 -3.078 1.00 24.33 C ATOM 1273 NZ LYS A 82 -14.203 -18.890 -2.434 1.00 2.11 N ATOM 0 H LYS A 82 -13.111 -13.656 0.657 1.00 44.31 H new ATOM 0 HA LYS A 82 -11.414 -16.050 0.783 1.00 33.14 H new ATOM 0 HB2 LYS A 82 -12.228 -14.375 -1.601 1.00 20.40 H new ATOM 0 HB3 LYS A 82 -11.057 -15.678 -1.641 1.00 20.40 H new ATOM 0 HG2 LYS A 82 -12.853 -17.247 -0.821 1.00 0.32 H new ATOM 0 HG3 LYS A 82 -14.005 -15.931 -0.940 1.00 0.32 H new ATOM 0 HD2 LYS A 82 -13.429 -15.671 -3.340 1.00 31.15 H new ATOM 0 HD3 LYS A 82 -12.326 -17.026 -3.208 1.00 31.15 H new ATOM 0 HE2 LYS A 82 -15.332 -17.132 -2.716 1.00 24.33 H new ATOM 0 HE3 LYS A 82 -14.513 -17.710 -4.154 1.00 24.33 H new ATOM 0 HZ1 LYS A 82 -14.930 -19.554 -2.769 1.00 2.11 H new ATOM 0 HZ2 LYS A 82 -13.261 -19.257 -2.679 1.00 2.11 H new ATOM 0 HZ3 LYS A 82 -14.277 -18.787 -1.402 1.00 2.11 H new ATOM 1287 N THR A 83 -9.275 -14.793 0.336 1.00 62.34 N ATOM 1288 CA THR A 83 -8.031 -14.087 0.422 1.00 31.40 C ATOM 1289 C THR A 83 -7.452 -13.914 -0.980 1.00 63.10 C ATOM 1290 O THR A 83 -7.319 -14.883 -1.739 1.00 21.24 O ATOM 1291 CB THR A 83 -7.047 -14.858 1.322 1.00 33.23 C ATOM 1292 OG1 THR A 83 -7.649 -15.041 2.621 1.00 34.22 O ATOM 1293 CG2 THR A 83 -5.721 -14.116 1.468 1.00 74.21 C ATOM 0 H THR A 83 -9.173 -15.791 0.153 1.00 62.34 H new ATOM 0 HA THR A 83 -8.198 -13.104 0.862 1.00 31.40 H new ATOM 0 HB THR A 83 -6.837 -15.823 0.860 1.00 33.23 H new ATOM 0 HG1 THR A 83 -7.031 -15.533 3.202 1.00 34.22 H new ATOM 0 HG21 THR A 83 -5.052 -14.689 2.109 1.00 74.21 H new ATOM 0 HG22 THR A 83 -5.264 -13.991 0.486 1.00 74.21 H new ATOM 0 HG23 THR A 83 -5.899 -13.137 1.913 1.00 74.21 H new ATOM 1301 N THR A 84 -7.152 -12.697 -1.342 1.00 11.44 N ATOM 1302 CA THR A 84 -6.614 -12.419 -2.664 1.00 74.04 C ATOM 1303 C THR A 84 -5.434 -11.421 -2.607 1.00 71.43 C ATOM 1304 O THR A 84 -5.426 -10.492 -1.789 1.00 4.44 O ATOM 1305 CB THR A 84 -7.739 -11.929 -3.619 1.00 71.23 C ATOM 1306 OG1 THR A 84 -8.762 -12.948 -3.689 1.00 1.53 O ATOM 1307 CG2 THR A 84 -7.209 -11.669 -5.030 1.00 75.33 C ATOM 0 H THR A 84 -7.267 -11.876 -0.748 1.00 11.44 H new ATOM 0 HA THR A 84 -6.214 -13.350 -3.066 1.00 74.04 H new ATOM 0 HB THR A 84 -8.138 -10.994 -3.226 1.00 71.23 H new ATOM 0 HG1 THR A 84 -9.301 -12.816 -4.497 1.00 1.53 H new ATOM 0 HG21 THR A 84 -8.024 -11.328 -5.668 1.00 75.33 H new ATOM 0 HG22 THR A 84 -6.434 -10.904 -4.992 1.00 75.33 H new ATOM 0 HG23 THR A 84 -6.791 -12.590 -5.437 1.00 75.33 H new ATOM 1315 N VAL A 85 -4.434 -11.652 -3.450 1.00 41.50 N ATOM 1316 CA VAL A 85 -3.246 -10.816 -3.508 1.00 24.12 C ATOM 1317 C VAL A 85 -3.307 -9.863 -4.720 1.00 12.14 C ATOM 1318 O VAL A 85 -3.797 -10.232 -5.797 1.00 25.35 O ATOM 1319 CB VAL A 85 -1.947 -11.685 -3.584 1.00 11.31 C ATOM 1320 CG1 VAL A 85 -1.890 -12.509 -4.868 1.00 45.21 C ATOM 1321 CG2 VAL A 85 -0.702 -10.834 -3.433 1.00 51.41 C ATOM 0 H VAL A 85 -4.427 -12.427 -4.113 1.00 41.50 H new ATOM 0 HA VAL A 85 -3.215 -10.225 -2.593 1.00 24.12 H new ATOM 0 HB VAL A 85 -1.982 -12.382 -2.747 1.00 11.31 H new ATOM 0 HG11 VAL A 85 -0.973 -13.098 -4.882 1.00 45.21 H new ATOM 0 HG12 VAL A 85 -2.751 -13.176 -4.911 1.00 45.21 H new ATOM 0 HG13 VAL A 85 -1.906 -11.842 -5.730 1.00 45.21 H new ATOM 0 HG21 VAL A 85 0.182 -11.469 -3.491 1.00 51.41 H new ATOM 0 HG22 VAL A 85 -0.669 -10.093 -4.231 1.00 51.41 H new ATOM 0 HG23 VAL A 85 -0.722 -10.327 -2.468 1.00 51.41 H new ATOM 1331 N MET A 86 -2.833 -8.652 -4.535 1.00 63.44 N ATOM 1332 CA MET A 86 -2.786 -7.666 -5.590 1.00 2.13 C ATOM 1333 C MET A 86 -1.480 -6.930 -5.578 1.00 42.53 C ATOM 1334 O MET A 86 -0.820 -6.819 -4.548 1.00 21.14 O ATOM 1335 CB MET A 86 -3.932 -6.669 -5.508 1.00 74.13 C ATOM 1336 CG MET A 86 -5.293 -7.261 -5.779 1.00 24.51 C ATOM 1337 SD MET A 86 -6.600 -6.045 -5.655 1.00 64.34 S ATOM 1338 CE MET A 86 -6.154 -4.919 -6.969 1.00 40.44 C ATOM 0 H MET A 86 -2.467 -8.321 -3.642 1.00 63.44 H new ATOM 0 HA MET A 86 -2.887 -8.214 -6.527 1.00 2.13 H new ATOM 0 HB2 MET A 86 -3.936 -6.219 -4.515 1.00 74.13 H new ATOM 0 HB3 MET A 86 -3.750 -5.865 -6.221 1.00 74.13 H new ATOM 0 HG2 MET A 86 -5.303 -7.701 -6.776 1.00 24.51 H new ATOM 0 HG3 MET A 86 -5.483 -8.068 -5.072 1.00 24.51 H new ATOM 0 HE1 MET A 86 -6.993 -4.256 -7.180 1.00 40.44 H new ATOM 0 HE2 MET A 86 -5.291 -4.327 -6.664 1.00 40.44 H new ATOM 0 HE3 MET A 86 -5.906 -5.487 -7.866 1.00 40.44 H new ATOM 1348 N HIS A 87 -1.100 -6.447 -6.720 1.00 51.52 N ATOM 1349 CA HIS A 87 0.124 -5.705 -6.867 1.00 61.12 C ATOM 1350 C HIS A 87 -0.267 -4.271 -7.168 1.00 61.52 C ATOM 1351 O HIS A 87 -1.108 -4.039 -8.010 1.00 42.13 O ATOM 1352 CB HIS A 87 0.975 -6.271 -8.013 1.00 1.12 C ATOM 1353 CG HIS A 87 1.367 -7.731 -7.891 1.00 21.24 C ATOM 1354 ND1 HIS A 87 2.657 -8.147 -7.639 1.00 1.14 N ATOM 1355 CD2 HIS A 87 0.633 -8.881 -8.032 1.00 15.42 C ATOM 1356 CE1 HIS A 87 2.706 -9.464 -7.633 1.00 51.02 C ATOM 1357 NE2 HIS A 87 1.496 -9.930 -7.866 1.00 54.55 N ATOM 0 H HIS A 87 -1.630 -6.554 -7.585 1.00 51.52 H new ATOM 0 HA HIS A 87 0.722 -5.771 -5.958 1.00 61.12 H new ATOM 0 HB2 HIS A 87 0.427 -6.139 -8.946 1.00 1.12 H new ATOM 0 HB3 HIS A 87 1.885 -5.676 -8.091 1.00 1.12 H new ATOM 0 HD2 HIS A 87 -0.426 -8.946 -8.236 1.00 15.42 H new ATOM 0 HE1 HIS A 87 3.590 -10.061 -7.465 1.00 51.02 H new ATOM 0 HE2 HIS A 87 1.242 -10.917 -7.915 1.00 54.55 H new ATOM 1366 N LEU A 88 0.294 -3.329 -6.475 1.00 14.43 N ATOM 1367 CA LEU A 88 -0.120 -1.940 -6.637 1.00 13.12 C ATOM 1368 C LEU A 88 1.025 -1.080 -7.110 1.00 70.41 C ATOM 1369 O LEU A 88 2.179 -1.300 -6.714 1.00 3.43 O ATOM 1370 CB LEU A 88 -0.674 -1.368 -5.306 1.00 33.31 C ATOM 1371 CG LEU A 88 -1.947 -2.017 -4.706 1.00 42.34 C ATOM 1372 CD1 LEU A 88 -3.113 -1.956 -5.670 1.00 25.31 C ATOM 1373 CD2 LEU A 88 -1.692 -3.441 -4.243 1.00 11.32 C ATOM 0 H LEU A 88 1.037 -3.479 -5.792 1.00 14.43 H new ATOM 0 HA LEU A 88 -0.908 -1.925 -7.390 1.00 13.12 H new ATOM 0 HB2 LEU A 88 0.118 -1.434 -4.560 1.00 33.31 H new ATOM 0 HB3 LEU A 88 -0.880 -0.309 -5.459 1.00 33.31 H new ATOM 0 HG LEU A 88 -2.215 -1.432 -3.826 1.00 42.34 H new ATOM 0 HD11 LEU A 88 -3.987 -2.421 -5.214 1.00 25.31 H new ATOM 0 HD12 LEU A 88 -3.337 -0.915 -5.905 1.00 25.31 H new ATOM 0 HD13 LEU A 88 -2.856 -2.488 -6.586 1.00 25.31 H new ATOM 0 HD21 LEU A 88 -2.610 -3.859 -3.829 1.00 11.32 H new ATOM 0 HD22 LEU A 88 -1.367 -4.046 -5.089 1.00 11.32 H new ATOM 0 HD23 LEU A 88 -0.916 -3.441 -3.478 1.00 11.32 H new ATOM 1385 N VAL A 89 0.720 -0.117 -7.959 1.00 52.31 N ATOM 1386 CA VAL A 89 1.709 0.820 -8.439 1.00 51.03 C ATOM 1387 C VAL A 89 1.184 2.248 -8.271 1.00 20.53 C ATOM 1388 O VAL A 89 0.023 2.538 -8.568 1.00 43.11 O ATOM 1389 CB VAL A 89 2.115 0.572 -9.943 1.00 12.44 C ATOM 1390 CG1 VAL A 89 2.700 -0.807 -10.140 1.00 54.41 C ATOM 1391 CG2 VAL A 89 0.942 0.767 -10.887 1.00 22.02 C ATOM 0 H VAL A 89 -0.217 0.035 -8.332 1.00 52.31 H new ATOM 0 HA VAL A 89 2.609 0.672 -7.842 1.00 51.03 H new ATOM 0 HB VAL A 89 2.876 1.315 -10.181 1.00 12.44 H new ATOM 0 HG11 VAL A 89 2.968 -0.942 -11.188 1.00 54.41 H new ATOM 0 HG12 VAL A 89 3.590 -0.916 -9.521 1.00 54.41 H new ATOM 0 HG13 VAL A 89 1.964 -1.559 -9.854 1.00 54.41 H new ATOM 0 HG21 VAL A 89 1.266 0.586 -11.912 1.00 22.02 H new ATOM 0 HG22 VAL A 89 0.147 0.067 -10.629 1.00 22.02 H new ATOM 0 HG23 VAL A 89 0.570 1.788 -10.799 1.00 22.02 H new ATOM 1401 N ALA A 90 2.010 3.112 -7.764 1.00 0.32 N ATOM 1402 CA ALA A 90 1.646 4.493 -7.611 1.00 54.20 C ATOM 1403 C ALA A 90 2.760 5.366 -8.099 1.00 12.35 C ATOM 1404 O ALA A 90 3.938 5.092 -7.845 1.00 0.14 O ATOM 1405 CB ALA A 90 1.256 4.830 -6.182 1.00 31.43 C ATOM 0 H ALA A 90 2.952 2.884 -7.445 1.00 0.32 H new ATOM 0 HA ALA A 90 0.761 4.680 -8.218 1.00 54.20 H new ATOM 0 HB1 ALA A 90 0.989 5.885 -6.117 1.00 31.43 H new ATOM 0 HB2 ALA A 90 0.403 4.221 -5.884 1.00 31.43 H new ATOM 0 HB3 ALA A 90 2.096 4.627 -5.518 1.00 31.43 H new