USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl -165:sc= -1 (180deg=-1.98) USER MOD Set 1.2: A 96 MET CE :methyl 178:sc= -0.581 (180deg=-0.286) USER MOD Set 2.1: A 52 ASN : amide:sc= 0.293 K(o=2.2,f=1.7) USER MOD Set 2.2: A 63 CYS SG : rot -30:sc= 0.907 USER MOD Set 2.3: A 90 CYS SG : rot -99:sc= 1 USER MOD Set 3.1: A 32 THR OG1 : rot -156:sc= 1.27 USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0.00103 USER MOD Set 4.1: A 43 TYR OH : rot 26:sc= 1.23 USER MOD Set 4.2: A 46 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc= -2.85! K(o=-2.9!,f=-0.62) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0124 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.14 K(o=0.14,f=-4!) USER MOD Single : A 41 ASN : amide:sc= 0.928 K(o=0.93,f=-4.8!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 56 SER OG : rot 53:sc= 1.3 USER MOD Single : A 58 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot 133:sc= 0.886 USER MOD Single : A 68 GLN : amide:sc= -2.48! K(o=-2.5!,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 175:sc= -2.48! (180deg=-2.51!) USER MOD Single : A 75 ASN : amide:sc= -0.165 K(o=-0.17,f=-4.5!) USER MOD Single : A 76 THR OG1 : rot -130:sc= 0 USER MOD Single : A 78 SER OG : rot -73:sc= 0.768 USER MOD Single : A 83 ASN : amide:sc= 0.322 K(o=0.32,f=-2.4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.996 X(o=-1,f=-0.7) USER MOD Single : A 108 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.45) USER MOD Single : A 109 GLN : amide:sc= 0.617 K(o=0.62,f=-0.0015) USER MOD Single : A 112 ASN : amide:sc= 0.372 K(o=0.37,f=-3.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.19) USER MOD Single : A 120 MET CE :methyl -178:sc= -0.112 (180deg=-0.124) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.035 -13.381 -10.611 1.00 0.00 N ATOM 9 CA GLN A 26 -8.287 -13.710 -9.224 1.00 0.00 C ATOM 10 C GLN A 26 -7.537 -15.000 -8.930 1.00 0.00 C ATOM 11 O GLN A 26 -7.868 -16.055 -9.469 1.00 0.00 O ATOM 12 CB GLN A 26 -9.781 -13.835 -8.904 1.00 0.00 C ATOM 13 CG GLN A 26 -10.041 -14.400 -7.493 1.00 0.00 C ATOM 14 CD GLN A 26 -9.698 -13.497 -6.305 1.00 0.00 C ATOM 15 OE1 GLN A 26 -10.514 -13.333 -5.402 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.481 -12.995 -6.177 1.00 0.00 N ATOM 0 HA GLN A 26 -7.933 -12.902 -8.584 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.250 -12.855 -8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.254 -14.482 -9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.096 -14.664 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.474 -15.325 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.795 -13.125 -6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.229 -12.478 -5.335 1.00 0.00 H new ATOM 25 N GLU A 27 -6.561 -14.922 -8.033 1.00 0.00 N ATOM 26 CA GLU A 27 -5.796 -16.083 -7.602 1.00 0.00 C ATOM 27 C GLU A 27 -5.506 -16.068 -6.101 1.00 0.00 C ATOM 28 O GLU A 27 -4.778 -16.914 -5.589 1.00 0.00 O ATOM 29 CB GLU A 27 -4.566 -16.248 -8.521 1.00 0.00 C ATOM 30 CG GLU A 27 -3.809 -14.958 -8.903 1.00 0.00 C ATOM 31 CD GLU A 27 -3.021 -15.147 -10.202 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.765 -15.094 -10.205 1.00 0.00 O ATOM 33 OE2 GLU A 27 -3.656 -15.353 -11.258 1.00 0.00 O ATOM 0 H GLU A 27 -6.278 -14.051 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.391 -16.988 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.864 -16.923 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.890 -16.737 -9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.517 -14.138 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.129 -14.680 -8.098 1.00 0.00 H new ATOM 41 N LEU A 28 -6.201 -15.207 -5.359 1.00 0.00 N ATOM 42 CA LEU A 28 -6.189 -15.139 -3.901 1.00 0.00 C ATOM 43 C LEU A 28 -7.501 -14.508 -3.419 1.00 0.00 C ATOM 44 O LEU A 28 -7.667 -13.301 -3.581 1.00 0.00 O ATOM 45 CB LEU A 28 -5.018 -14.287 -3.398 1.00 0.00 C ATOM 46 CG LEU A 28 -3.676 -15.015 -3.237 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.635 -13.978 -2.861 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.707 -16.033 -2.102 1.00 0.00 C ATOM 0 H LEU A 28 -6.814 -14.508 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.079 -16.150 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.877 -13.455 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.294 -13.858 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.457 -15.531 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.666 -14.463 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.568 -13.227 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.921 -13.498 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.736 -16.523 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.932 -15.525 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.475 -16.779 -2.304 1.00 0.00 H new ATOM 60 N PRO A 29 -8.434 -15.269 -2.829 1.00 0.00 N ATOM 61 CA PRO A 29 -9.693 -14.730 -2.315 1.00 0.00 C ATOM 62 C PRO A 29 -9.422 -13.817 -1.102 1.00 0.00 C ATOM 63 O PRO A 29 -8.345 -13.939 -0.519 1.00 0.00 O ATOM 64 CB PRO A 29 -10.518 -15.973 -1.977 1.00 0.00 C ATOM 65 CG PRO A 29 -9.475 -17.018 -1.584 1.00 0.00 C ATOM 66 CD PRO A 29 -8.221 -16.625 -2.365 1.00 0.00 C ATOM 0 HA PRO A 29 -10.228 -14.096 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.215 -15.779 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.110 -16.302 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.291 -17.010 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.805 -18.024 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.335 -16.684 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.059 -17.301 -3.204 1.00 0.00 H new ATOM 74 N PRO A 30 -10.335 -12.901 -0.721 1.00 0.00 N ATOM 75 CA PRO A 30 -10.055 -11.778 0.185 1.00 0.00 C ATOM 76 C PRO A 30 -9.785 -12.200 1.653 1.00 0.00 C ATOM 77 O PRO A 30 -9.781 -13.396 1.963 1.00 0.00 O ATOM 78 CB PRO A 30 -11.254 -10.839 -0.011 1.00 0.00 C ATOM 79 CG PRO A 30 -12.404 -11.725 -0.449 1.00 0.00 C ATOM 80 CD PRO A 30 -11.688 -12.808 -1.248 1.00 0.00 C ATOM 0 HA PRO A 30 -9.116 -11.278 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.495 -10.314 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.037 -10.079 -0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.947 -12.138 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.128 -11.182 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.205 -13.763 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.672 -12.558 -2.309 1.00 0.00 H new ATOM 88 N GLY A 31 -9.493 -11.253 2.560 1.00 0.00 N ATOM 89 CA GLY A 31 -9.110 -11.525 3.957 1.00 0.00 C ATOM 90 C GLY A 31 -8.162 -10.470 4.562 1.00 0.00 C ATOM 91 O GLY A 31 -8.163 -9.315 4.139 1.00 0.00 O ATOM 0 H GLY A 31 -9.517 -10.257 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.012 -11.581 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.630 -12.502 4.008 1.00 0.00 H new ATOM 95 N THR A 32 -7.329 -10.852 5.543 1.00 0.00 N ATOM 96 CA THR A 32 -6.169 -10.086 6.040 1.00 0.00 C ATOM 97 C THR A 32 -4.936 -10.992 6.183 1.00 0.00 C ATOM 98 O THR A 32 -5.086 -12.184 6.458 1.00 0.00 O ATOM 99 CB THR A 32 -6.513 -9.342 7.343 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.421 -8.511 7.685 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.818 -10.251 8.535 1.00 0.00 C ATOM 0 H THR A 32 -7.448 -11.739 6.033 1.00 0.00 H new ATOM 0 HA THR A 32 -5.916 -9.323 5.304 1.00 0.00 H new ATOM 0 HB THR A 32 -7.426 -8.781 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.432 -8.337 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.049 -9.641 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.672 -10.886 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.950 -10.875 8.748 1.00 0.00 H new ATOM 109 N TYR A 33 -3.724 -10.468 5.930 1.00 0.00 N ATOM 110 CA TYR A 33 -2.463 -11.228 5.945 1.00 0.00 C ATOM 111 C TYR A 33 -1.415 -10.479 6.773 1.00 0.00 C ATOM 112 O TYR A 33 -1.232 -9.276 6.594 1.00 0.00 O ATOM 113 CB TYR A 33 -1.955 -11.578 4.518 1.00 0.00 C ATOM 114 CG TYR A 33 -2.200 -10.604 3.362 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.657 -9.304 3.338 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.908 -11.037 2.223 1.00 0.00 C ATOM 117 CE1 TYR A 33 -1.960 -8.418 2.291 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.193 -10.153 1.161 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.727 -8.825 1.200 1.00 0.00 C ATOM 120 OH TYR A 33 -2.940 -7.899 0.226 1.00 0.00 O ATOM 0 H TYR A 33 -3.592 -9.482 5.704 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.654 -12.189 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.879 -11.737 4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.402 -12.532 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.000 -8.985 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.238 -12.063 2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.592 -7.403 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.771 -10.496 0.315 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.486 -8.293 -0.486 1.00 0.00 H new ATOM 130 N ARG A 34 -0.745 -11.173 7.705 1.00 0.00 N ATOM 131 CA ARG A 34 0.372 -10.666 8.506 1.00 0.00 C ATOM 132 C ARG A 34 1.626 -10.698 7.641 1.00 0.00 C ATOM 133 O ARG A 34 2.011 -11.783 7.197 1.00 0.00 O ATOM 134 CB ARG A 34 0.499 -11.525 9.784 1.00 0.00 C ATOM 135 CG ARG A 34 1.681 -11.199 10.709 1.00 0.00 C ATOM 136 CD ARG A 34 1.687 -9.754 11.227 1.00 0.00 C ATOM 137 NE ARG A 34 1.376 -9.619 12.666 1.00 0.00 N ATOM 138 CZ ARG A 34 2.191 -9.194 13.643 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.510 -9.153 13.483 1.00 0.00 N ATOM 140 NH2 ARG A 34 1.657 -8.799 14.789 1.00 0.00 N ATOM 0 H ARG A 34 -0.978 -12.141 7.928 1.00 0.00 H new ATOM 0 HA ARG A 34 0.213 -9.636 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.422 -11.423 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.576 -12.571 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.662 -11.879 11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.611 -11.386 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.667 -9.317 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.963 -9.173 10.655 1.00 0.00 H new ATOM 0 HE ARG A 34 0.431 -9.879 12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.926 -9.449 12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.106 -8.825 14.243 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.645 -8.822 14.915 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.258 -8.472 15.546 1.00 0.00 H new ATOM 154 N VAL A 35 2.203 -9.534 7.341 1.00 0.00 N ATOM 155 CA VAL A 35 3.290 -9.344 6.377 1.00 0.00 C ATOM 156 C VAL A 35 4.088 -8.082 6.724 1.00 0.00 C ATOM 157 O VAL A 35 3.722 -7.341 7.645 1.00 0.00 O ATOM 158 CB VAL A 35 2.705 -9.268 4.942 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.006 -10.565 4.522 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.705 -8.110 4.776 1.00 0.00 C ATOM 0 H VAL A 35 1.914 -8.660 7.781 1.00 0.00 H new ATOM 0 HA VAL A 35 3.973 -10.192 6.423 1.00 0.00 H new ATOM 0 HB VAL A 35 3.569 -9.098 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.615 -10.457 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.720 -11.388 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.185 -10.774 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.325 -8.101 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.875 -8.243 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.205 -7.164 4.985 1.00 0.00 H new ATOM 170 N ASP A 36 5.156 -7.822 5.964 1.00 0.00 N ATOM 171 CA ASP A 36 6.027 -6.663 6.123 1.00 0.00 C ATOM 172 C ASP A 36 5.838 -5.767 4.898 1.00 0.00 C ATOM 173 O ASP A 36 6.111 -6.198 3.777 1.00 0.00 O ATOM 174 CB ASP A 36 7.513 -7.042 6.305 1.00 0.00 C ATOM 175 CG ASP A 36 7.792 -8.418 6.921 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.444 -9.264 6.259 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.419 -8.658 8.093 1.00 0.00 O ATOM 0 H ASP A 36 5.443 -8.433 5.199 1.00 0.00 H new ATOM 0 HA ASP A 36 5.748 -6.139 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.999 -6.998 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.985 -6.285 6.931 1.00 0.00 H new ATOM 183 N ILE A 37 5.328 -4.546 5.073 1.00 0.00 N ATOM 184 CA ILE A 37 5.206 -3.545 4.007 1.00 0.00 C ATOM 185 C ILE A 37 6.626 -3.180 3.566 1.00 0.00 C ATOM 186 O ILE A 37 7.422 -2.763 4.405 1.00 0.00 O ATOM 187 CB ILE A 37 4.400 -2.322 4.508 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.946 -2.757 4.842 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.399 -1.168 3.474 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.583 -2.681 6.327 1.00 0.00 C ATOM 0 H ILE A 37 4.982 -4.218 5.975 1.00 0.00 H new ATOM 0 HA ILE A 37 4.655 -3.934 3.151 1.00 0.00 H new ATOM 0 HB ILE A 37 4.883 -1.944 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.255 -2.129 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.799 -3.781 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.822 -0.330 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.424 -0.847 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.950 -1.514 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.551 -3.003 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.246 -3.332 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.693 -1.654 6.676 1.00 0.00 H new ATOM 202 N TYR A 38 6.935 -3.296 2.271 1.00 0.00 N ATOM 203 CA TYR A 38 8.231 -2.970 1.682 1.00 0.00 C ATOM 204 C TYR A 38 8.024 -1.945 0.577 1.00 0.00 C ATOM 205 O TYR A 38 7.871 -2.316 -0.587 1.00 0.00 O ATOM 206 CB TYR A 38 8.925 -4.233 1.146 1.00 0.00 C ATOM 207 CG TYR A 38 10.018 -4.776 2.033 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.717 -5.477 3.215 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.355 -4.588 1.644 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.760 -6.003 4.003 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.394 -5.107 2.422 1.00 0.00 C ATOM 212 CZ TYR A 38 12.105 -5.812 3.604 1.00 0.00 C ATOM 213 OH TYR A 38 13.141 -6.258 4.356 1.00 0.00 O ATOM 0 H TYR A 38 6.263 -3.632 1.581 1.00 0.00 H new ATOM 0 HA TYR A 38 8.883 -2.548 2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.174 -5.010 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.348 -4.011 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.689 -5.612 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.581 -4.041 0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.535 -6.549 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.420 -4.966 2.115 1.00 0.00 H new ATOM 0 HH TYR A 38 13.986 -6.033 3.915 1.00 0.00 H new ATOM 223 N LEU A 39 7.997 -0.658 0.914 1.00 0.00 N ATOM 224 CA LEU A 39 7.866 0.404 -0.070 1.00 0.00 C ATOM 225 C LEU A 39 9.215 0.654 -0.715 1.00 0.00 C ATOM 226 O LEU A 39 10.183 0.872 0.002 1.00 0.00 O ATOM 227 CB LEU A 39 7.376 1.687 0.602 1.00 0.00 C ATOM 228 CG LEU A 39 7.142 2.806 -0.435 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.701 2.802 -0.937 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.502 4.173 0.128 1.00 0.00 C ATOM 0 H LEU A 39 8.065 -0.326 1.876 1.00 0.00 H new ATOM 0 HA LEU A 39 7.142 0.104 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.450 1.487 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.108 2.017 1.339 1.00 0.00 H new ATOM 0 HG LEU A 39 7.801 2.604 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.567 3.601 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.482 1.843 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.023 2.959 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.325 4.937 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.886 4.380 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.554 4.183 0.414 1.00 0.00 H new ATOM 242 N ASN A 40 9.267 0.669 -2.051 1.00 0.00 N ATOM 243 CA ASN A 40 10.468 0.979 -2.827 1.00 0.00 C ATOM 244 C ASN A 40 11.645 0.152 -2.315 1.00 0.00 C ATOM 245 O ASN A 40 12.762 0.639 -2.174 1.00 0.00 O ATOM 246 CB ASN A 40 10.730 2.503 -2.845 1.00 0.00 C ATOM 247 CG ASN A 40 9.616 3.318 -3.505 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.872 2.829 -4.356 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.454 4.584 -3.157 1.00 0.00 N ATOM 0 H ASN A 40 8.456 0.461 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 40 10.322 0.696 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.862 2.851 -1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.666 2.694 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.720 5.143 -3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.063 5.001 -2.453 1.00 0.00 H new ATOM 256 N ASN A 41 11.368 -1.135 -2.078 1.00 0.00 N ATOM 257 CA ASN A 41 12.283 -2.130 -1.541 1.00 0.00 C ATOM 258 C ASN A 41 12.874 -1.721 -0.191 1.00 0.00 C ATOM 259 O ASN A 41 14.038 -2.009 0.086 1.00 0.00 O ATOM 260 CB ASN A 41 13.323 -2.498 -2.606 1.00 0.00 C ATOM 261 CG ASN A 41 12.669 -3.321 -3.694 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.397 -4.507 -3.527 1.00 0.00 O ATOM 263 ND2 ASN A 41 12.345 -2.714 -4.814 1.00 0.00 N ATOM 0 H ASN A 41 10.445 -1.525 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 41 11.727 -3.038 -1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.757 -1.594 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.139 -3.060 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.864 -3.228 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.574 -1.729 -4.945 1.00 0.00 H new ATOM 270 N GLY A 42 12.072 -1.094 0.666 1.00 0.00 N ATOM 271 CA GLY A 42 12.435 -0.609 1.985 1.00 0.00 C ATOM 272 C GLY A 42 11.315 -0.976 2.945 1.00 0.00 C ATOM 273 O GLY A 42 10.176 -0.540 2.769 1.00 0.00 O ATOM 0 H GLY A 42 11.096 -0.902 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.376 -1.054 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.583 0.471 1.967 1.00 0.00 H new ATOM 277 N TYR A 43 11.627 -1.823 3.922 1.00 0.00 N ATOM 278 CA TYR A 43 10.740 -2.189 5.016 1.00 0.00 C ATOM 279 C TYR A 43 10.204 -0.919 5.698 1.00 0.00 C ATOM 280 O TYR A 43 10.988 -0.050 6.081 1.00 0.00 O ATOM 281 CB TYR A 43 11.558 -3.035 5.999 1.00 0.00 C ATOM 282 CG TYR A 43 10.873 -3.311 7.314 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.548 -3.775 7.344 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.571 -3.096 8.517 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.912 -3.982 8.575 1.00 0.00 C ATOM 286 CE2 TYR A 43 10.940 -3.305 9.753 1.00 0.00 C ATOM 287 CZ TYR A 43 9.597 -3.735 9.785 1.00 0.00 C ATOM 288 OH TYR A 43 8.970 -3.931 10.977 1.00 0.00 O ATOM 0 H TYR A 43 12.534 -2.287 3.973 1.00 0.00 H new ATOM 0 HA TYR A 43 9.882 -2.757 4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.801 -3.986 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.502 -2.527 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.021 -3.972 6.422 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.600 -2.768 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.891 -4.333 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.479 -3.138 10.674 1.00 0.00 H new ATOM 0 HH TYR A 43 8.262 -4.600 10.868 1.00 0.00 H new ATOM 298 N MET A 44 8.880 -0.831 5.849 1.00 0.00 N ATOM 299 CA MET A 44 8.168 0.255 6.517 1.00 0.00 C ATOM 300 C MET A 44 7.587 -0.229 7.849 1.00 0.00 C ATOM 301 O MET A 44 7.916 0.318 8.904 1.00 0.00 O ATOM 302 CB MET A 44 7.071 0.817 5.588 1.00 0.00 C ATOM 303 CG MET A 44 7.671 1.591 4.414 1.00 0.00 C ATOM 304 SD MET A 44 8.372 3.187 4.915 1.00 0.00 S ATOM 305 CE MET A 44 9.830 3.212 3.848 1.00 0.00 C ATOM 0 H MET A 44 8.249 -1.549 5.492 1.00 0.00 H new ATOM 0 HA MET A 44 8.867 1.062 6.737 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.459 -0.002 5.210 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.411 1.472 6.157 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.449 0.988 3.946 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.900 1.757 3.661 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.391 4.131 4.020 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.462 2.353 4.075 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.518 3.167 2.805 1.00 0.00 H new ATOM 315 N ALA A 45 6.674 -1.206 7.824 1.00 0.00 N ATOM 316 CA ALA A 45 5.958 -1.676 9.007 1.00 0.00 C ATOM 317 C ALA A 45 5.627 -3.156 8.876 1.00 0.00 C ATOM 318 O ALA A 45 5.574 -3.684 7.765 1.00 0.00 O ATOM 319 CB ALA A 45 4.691 -0.838 9.217 1.00 0.00 C ATOM 0 H ALA A 45 6.411 -1.696 6.969 1.00 0.00 H new ATOM 0 HA ALA A 45 6.596 -1.556 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.162 -1.194 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.965 0.208 9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.044 -0.932 8.345 1.00 0.00 H new ATOM 325 N THR A 46 5.366 -3.795 10.011 1.00 0.00 N ATOM 326 CA THR A 46 4.953 -5.187 10.120 1.00 0.00 C ATOM 327 C THR A 46 3.586 -5.166 10.776 1.00 0.00 C ATOM 328 O THR A 46 3.424 -4.530 11.819 1.00 0.00 O ATOM 329 CB THR A 46 5.945 -5.974 10.990 1.00 0.00 C ATOM 330 OG1 THR A 46 7.227 -5.927 10.419 1.00 0.00 O ATOM 331 CG2 THR A 46 5.548 -7.444 11.102 1.00 0.00 C ATOM 0 H THR A 46 5.440 -3.336 10.919 1.00 0.00 H new ATOM 0 HA THR A 46 4.924 -5.671 9.144 1.00 0.00 H new ATOM 0 HB THR A 46 5.937 -5.516 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.854 -6.429 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.272 -7.970 11.724 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.559 -7.520 11.553 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.530 -7.893 10.109 1.00 0.00 H new ATOM 339 N ARG A 47 2.589 -5.789 10.161 1.00 0.00 N ATOM 340 CA ARG A 47 1.232 -5.843 10.691 1.00 0.00 C ATOM 341 C ARG A 47 0.425 -6.793 9.834 1.00 0.00 C ATOM 342 O ARG A 47 0.927 -7.343 8.853 1.00 0.00 O ATOM 343 CB ARG A 47 0.550 -4.455 10.759 1.00 0.00 C ATOM 344 CG ARG A 47 1.102 -3.364 9.816 1.00 0.00 C ATOM 345 CD ARG A 47 0.010 -2.419 9.322 1.00 0.00 C ATOM 346 NE ARG A 47 -0.620 -1.681 10.429 1.00 0.00 N ATOM 347 CZ ARG A 47 -1.854 -1.830 10.928 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.670 -2.777 10.473 1.00 0.00 N ATOM 349 NH2 ARG A 47 -2.257 -0.998 11.878 1.00 0.00 N ATOM 0 H ARG A 47 2.700 -6.276 9.272 1.00 0.00 H new ATOM 0 HA ARG A 47 1.282 -6.198 11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.510 -4.586 10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.624 -4.089 11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.868 -2.790 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.585 -3.836 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.437 -1.712 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.749 -2.990 8.788 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.044 -0.966 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.359 -3.405 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.606 -2.875 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.632 -0.265 12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.192 -1.091 12.274 1.00 0.00 H new ATOM 363 N ASP A 48 -0.815 -7.017 10.239 1.00 0.00 N ATOM 364 CA ASP A 48 -1.828 -7.515 9.336 1.00 0.00 C ATOM 365 C ASP A 48 -2.310 -6.355 8.471 1.00 0.00 C ATOM 366 O ASP A 48 -2.288 -5.188 8.887 1.00 0.00 O ATOM 367 CB ASP A 48 -2.948 -8.206 10.114 1.00 0.00 C ATOM 368 CG ASP A 48 -4.041 -7.259 10.594 1.00 0.00 C ATOM 369 OD1 ASP A 48 -5.202 -7.406 10.141 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.756 -6.460 11.510 1.00 0.00 O ATOM 0 H ASP A 48 -1.140 -6.859 11.193 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.421 -8.279 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.397 -8.973 9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.518 -8.715 10.976 1.00 0.00 H new ATOM 376 N VAL A 49 -2.688 -6.679 7.243 1.00 0.00 N ATOM 377 CA VAL A 49 -3.105 -5.747 6.216 1.00 0.00 C ATOM 378 C VAL A 49 -4.317 -6.416 5.584 1.00 0.00 C ATOM 379 O VAL A 49 -4.175 -7.419 4.880 1.00 0.00 O ATOM 380 CB VAL A 49 -1.948 -5.457 5.224 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.172 -4.138 4.477 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.579 -5.297 5.893 1.00 0.00 C ATOM 0 H VAL A 49 -2.712 -7.648 6.924 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.366 -4.760 6.597 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.950 -6.326 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.344 -3.964 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.105 -4.192 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.227 -3.319 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.176 -5.097 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.613 -4.467 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.324 -6.214 6.424 1.00 0.00 H new ATOM 392 N THR A 50 -5.514 -5.931 5.904 1.00 0.00 N ATOM 393 CA THR A 50 -6.730 -6.400 5.258 1.00 0.00 C ATOM 394 C THR A 50 -6.618 -6.050 3.776 1.00 0.00 C ATOM 395 O THR A 50 -6.094 -4.987 3.453 1.00 0.00 O ATOM 396 CB THR A 50 -7.958 -5.743 5.915 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.835 -5.733 7.333 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.245 -6.459 5.512 1.00 0.00 C ATOM 0 H THR A 50 -5.665 -5.211 6.610 1.00 0.00 H new ATOM 0 HA THR A 50 -6.853 -7.477 5.368 1.00 0.00 H new ATOM 0 HB THR A 50 -8.006 -4.713 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.626 -5.309 7.727 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.096 -5.974 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.363 -6.414 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.196 -7.501 5.828 1.00 0.00 H new ATOM 406 N PHE A 51 -7.081 -6.903 2.870 1.00 0.00 N ATOM 407 CA PHE A 51 -7.258 -6.661 1.455 1.00 0.00 C ATOM 408 C PHE A 51 -8.751 -6.679 1.068 1.00 0.00 C ATOM 409 O PHE A 51 -9.587 -7.171 1.820 1.00 0.00 O ATOM 410 CB PHE A 51 -6.376 -7.671 0.697 1.00 0.00 C ATOM 411 CG PHE A 51 -6.334 -9.112 1.221 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.730 -9.445 2.450 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.777 -10.173 0.422 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.667 -10.787 2.871 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.666 -11.507 0.826 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.142 -11.829 2.074 1.00 0.00 C ATOM 0 H PHE A 51 -7.361 -7.849 3.131 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.931 -5.660 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.713 -7.700 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.356 -7.287 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.313 -8.667 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.219 -9.954 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.240 -11.016 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.990 -12.295 0.163 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.104 -12.853 2.415 1.00 0.00 H new ATOM 426 N ASN A 52 -9.105 -6.079 -0.079 1.00 0.00 N ATOM 427 CA ASN A 52 -10.413 -6.200 -0.745 1.00 0.00 C ATOM 428 C ASN A 52 -10.174 -6.621 -2.189 1.00 0.00 C ATOM 429 O ASN A 52 -9.063 -6.476 -2.706 1.00 0.00 O ATOM 430 CB ASN A 52 -11.237 -4.903 -0.726 1.00 0.00 C ATOM 431 CG ASN A 52 -12.064 -4.780 0.539 1.00 0.00 C ATOM 432 OD1 ASN A 52 -13.292 -4.827 0.502 1.00 0.00 O ATOM 433 ND2 ASN A 52 -11.391 -4.665 1.660 1.00 0.00 N ATOM 0 H ASN A 52 -8.463 -5.472 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.993 -6.940 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.568 -4.046 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.895 -4.878 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.887 -4.611 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.372 -4.630 1.642 1.00 0.00 H new ATOM 440 N THR A 53 -11.185 -7.222 -2.820 1.00 0.00 N ATOM 441 CA THR A 53 -11.083 -7.753 -4.171 1.00 0.00 C ATOM 442 C THR A 53 -10.816 -6.588 -5.140 1.00 0.00 C ATOM 443 O THR A 53 -11.159 -5.437 -4.844 1.00 0.00 O ATOM 444 CB THR A 53 -12.347 -8.582 -4.502 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.130 -8.877 -3.350 1.00 0.00 O ATOM 446 CG2 THR A 53 -11.917 -9.972 -4.991 1.00 0.00 C ATOM 0 H THR A 53 -12.105 -7.352 -2.399 1.00 0.00 H new ATOM 0 HA THR A 53 -10.244 -8.442 -4.271 1.00 0.00 H new ATOM 0 HB THR A 53 -12.908 -7.990 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.916 -9.400 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.801 -10.564 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.300 -9.869 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.344 -10.471 -4.210 1.00 0.00 H new ATOM 454 N GLY A 54 -10.118 -6.855 -6.245 1.00 0.00 N ATOM 455 CA GLY A 54 -9.550 -5.809 -7.076 1.00 0.00 C ATOM 456 C GLY A 54 -8.994 -6.361 -8.373 1.00 0.00 C ATOM 457 O GLY A 54 -9.324 -7.464 -8.801 1.00 0.00 O ATOM 0 H GLY A 54 -9.935 -7.800 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.315 -5.064 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.757 -5.300 -6.528 1.00 0.00 H new ATOM 461 N ASP A 55 -8.179 -5.541 -9.026 1.00 0.00 N ATOM 462 CA ASP A 55 -7.596 -5.784 -10.338 1.00 0.00 C ATOM 463 C ASP A 55 -6.110 -5.528 -10.171 1.00 0.00 C ATOM 464 O ASP A 55 -5.740 -4.410 -9.804 1.00 0.00 O ATOM 465 CB ASP A 55 -8.176 -4.799 -11.363 1.00 0.00 C ATOM 466 CG ASP A 55 -9.006 -5.420 -12.478 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.990 -4.747 -12.876 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.661 -6.513 -12.971 1.00 0.00 O ATOM 0 H ASP A 55 -7.893 -4.644 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.804 -6.793 -10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.796 -4.075 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.353 -4.245 -11.813 1.00 0.00 H new ATOM 474 N SER A 56 -5.282 -6.553 -10.361 1.00 0.00 N ATOM 475 CA SER A 56 -3.820 -6.652 -10.317 1.00 0.00 C ATOM 476 C SER A 56 -3.464 -8.142 -10.197 1.00 0.00 C ATOM 477 O SER A 56 -4.368 -8.974 -10.102 1.00 0.00 O ATOM 478 CB SER A 56 -3.152 -5.848 -9.186 1.00 0.00 C ATOM 479 OG SER A 56 -3.217 -4.460 -9.424 1.00 0.00 O ATOM 0 H SER A 56 -5.678 -7.467 -10.582 1.00 0.00 H new ATOM 0 HA SER A 56 -3.431 -6.207 -11.233 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.640 -6.078 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.110 -6.152 -9.090 1.00 0.00 H new ATOM 0 HG SER A 56 -4.145 -4.202 -9.605 1.00 0.00 H new ATOM 485 N GLU A 57 -2.171 -8.477 -10.164 1.00 0.00 N ATOM 486 CA GLU A 57 -1.566 -9.810 -10.053 1.00 0.00 C ATOM 487 C GLU A 57 -2.468 -10.840 -9.356 1.00 0.00 C ATOM 488 O GLU A 57 -2.890 -11.812 -9.979 1.00 0.00 O ATOM 489 CB GLU A 57 -0.215 -9.704 -9.307 1.00 0.00 C ATOM 490 CG GLU A 57 0.811 -8.710 -9.875 1.00 0.00 C ATOM 491 CD GLU A 57 1.489 -9.165 -11.170 1.00 0.00 C ATOM 492 OE1 GLU A 57 0.840 -9.827 -12.002 1.00 0.00 O ATOM 493 OE2 GLU A 57 2.670 -8.791 -11.379 1.00 0.00 O ATOM 0 H GLU A 57 -1.453 -7.755 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.417 -10.172 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.418 -9.429 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.243 -10.693 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.313 -7.758 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.578 -8.530 -9.122 1.00 0.00 H new ATOM 501 N GLN A 58 -2.749 -10.613 -8.071 1.00 0.00 N ATOM 502 CA GLN A 58 -3.436 -11.528 -7.157 1.00 0.00 C ATOM 503 C GLN A 58 -4.971 -11.459 -7.269 1.00 0.00 C ATOM 504 O GLN A 58 -5.669 -12.359 -6.790 1.00 0.00 O ATOM 505 CB GLN A 58 -3.016 -11.123 -5.741 1.00 0.00 C ATOM 506 CG GLN A 58 -1.491 -11.119 -5.483 1.00 0.00 C ATOM 507 CD GLN A 58 -1.010 -9.750 -5.020 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.304 -9.026 -5.710 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.465 -9.293 -3.871 1.00 0.00 N ATOM 0 H GLN A 58 -2.489 -9.738 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.159 -12.552 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.406 -10.126 -5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.487 -11.803 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.246 -11.867 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.965 -11.402 -6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.054 -9.884 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.228 -8.348 -3.568 1.00 0.00 H new ATOM 518 N GLY A 59 -5.503 -10.373 -7.835 1.00 0.00 N ATOM 519 CA GLY A 59 -6.936 -10.097 -7.910 1.00 0.00 C ATOM 520 C GLY A 59 -7.515 -9.466 -6.634 1.00 0.00 C ATOM 521 O GLY A 59 -8.728 -9.424 -6.441 1.00 0.00 O ATOM 0 H GLY A 59 -4.933 -9.644 -8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.124 -9.430 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.465 -11.027 -8.116 1.00 0.00 H new ATOM 525 N ILE A 60 -6.658 -8.998 -5.728 1.00 0.00 N ATOM 526 CA ILE A 60 -6.973 -8.367 -4.449 1.00 0.00 C ATOM 527 C ILE A 60 -5.939 -7.257 -4.174 1.00 0.00 C ATOM 528 O ILE A 60 -4.800 -7.379 -4.638 1.00 0.00 O ATOM 529 CB ILE A 60 -6.938 -9.450 -3.344 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.721 -10.398 -3.512 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.208 -10.322 -3.359 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.315 -11.100 -2.226 1.00 0.00 C ATOM 0 H ILE A 60 -5.651 -9.055 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.966 -7.917 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.867 -8.909 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.957 -11.148 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.873 -9.824 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.145 -11.070 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.083 -9.693 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.296 -10.821 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.458 -11.746 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.047 -10.357 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.148 -11.701 -1.861 1.00 0.00 H new ATOM 544 N VAL A 61 -6.259 -6.239 -3.361 1.00 0.00 N ATOM 545 CA VAL A 61 -5.305 -5.203 -2.917 1.00 0.00 C ATOM 546 C VAL A 61 -5.516 -4.826 -1.433 1.00 0.00 C ATOM 547 O VAL A 61 -6.660 -4.856 -0.969 1.00 0.00 O ATOM 548 CB VAL A 61 -5.390 -3.936 -3.801 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.946 -4.188 -5.247 1.00 0.00 C ATOM 550 CG2 VAL A 61 -6.788 -3.302 -3.809 1.00 0.00 C ATOM 0 H VAL A 61 -7.199 -6.108 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.309 -5.633 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.695 -3.236 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.027 -3.264 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.911 -4.530 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.584 -4.950 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.783 -2.418 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.512 -4.021 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.064 -3.016 -2.794 1.00 0.00 H new ATOM 560 N PRO A 62 -4.467 -4.425 -0.684 1.00 0.00 N ATOM 561 CA PRO A 62 -4.546 -4.030 0.728 1.00 0.00 C ATOM 562 C PRO A 62 -5.329 -2.719 0.974 1.00 0.00 C ATOM 563 O PRO A 62 -5.344 -1.796 0.154 1.00 0.00 O ATOM 564 CB PRO A 62 -3.103 -3.944 1.208 1.00 0.00 C ATOM 565 CG PRO A 62 -2.296 -3.706 -0.052 1.00 0.00 C ATOM 566 CD PRO A 62 -3.084 -4.429 -1.132 1.00 0.00 C ATOM 0 HA PRO A 62 -5.119 -4.765 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.971 -3.132 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.796 -4.863 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.201 -2.642 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.285 -4.104 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.983 -3.925 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.720 -5.447 -1.266 1.00 0.00 H new ATOM 574 N CYS A 63 -5.947 -2.642 2.157 1.00 0.00 N ATOM 575 CA CYS A 63 -6.811 -1.603 2.712 1.00 0.00 C ATOM 576 C CYS A 63 -5.932 -0.531 3.359 1.00 0.00 C ATOM 577 O CYS A 63 -5.933 -0.357 4.578 1.00 0.00 O ATOM 578 CB CYS A 63 -7.732 -2.241 3.762 1.00 0.00 C ATOM 579 SG CYS A 63 -8.880 -3.479 3.117 1.00 0.00 S ATOM 0 H CYS A 63 -5.837 -3.402 2.828 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.419 -1.146 1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.115 -2.705 4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.307 -1.452 4.247 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.185 -3.189 1.887 1.00 0.00 H new ATOM 585 N LEU A 64 -5.101 0.130 2.563 1.00 0.00 N ATOM 586 CA LEU A 64 -4.128 1.086 3.071 1.00 0.00 C ATOM 587 C LEU A 64 -4.853 2.406 3.283 1.00 0.00 C ATOM 588 O LEU A 64 -5.653 2.802 2.434 1.00 0.00 O ATOM 589 CB LEU A 64 -2.963 1.240 2.085 1.00 0.00 C ATOM 590 CG LEU A 64 -2.324 -0.099 1.681 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.317 0.100 0.541 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.675 -0.805 2.873 1.00 0.00 C ATOM 0 H LEU A 64 -5.083 0.018 1.549 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.702 0.742 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.320 1.749 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.200 1.878 2.532 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.124 -0.747 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.878 -0.861 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.827 0.521 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.530 0.781 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.236 -1.747 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.896 -0.169 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.430 -1.004 3.634 1.00 0.00 H new ATOM 604 N THR A 65 -4.586 3.076 4.399 1.00 0.00 N ATOM 605 CA THR A 65 -5.380 4.215 4.842 1.00 0.00 C ATOM 606 C THR A 65 -4.606 5.511 4.626 1.00 0.00 C ATOM 607 O THR A 65 -3.424 5.460 4.269 1.00 0.00 O ATOM 608 CB THR A 65 -5.805 4.019 6.305 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.742 4.364 7.160 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.217 2.562 6.618 1.00 0.00 C ATOM 0 H THR A 65 -3.812 2.844 5.022 1.00 0.00 H new ATOM 0 HA THR A 65 -6.291 4.285 4.247 1.00 0.00 H new ATOM 0 HB THR A 65 -6.670 4.662 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.075 4.940 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.507 2.483 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.058 2.278 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.376 1.896 6.423 1.00 0.00 H new ATOM 618 N ARG A 66 -5.209 6.686 4.881 1.00 0.00 N ATOM 619 CA ARG A 66 -4.432 7.913 4.786 1.00 0.00 C ATOM 620 C ARG A 66 -3.214 7.876 5.691 1.00 0.00 C ATOM 621 O ARG A 66 -2.114 8.148 5.217 1.00 0.00 O ATOM 622 CB ARG A 66 -5.256 9.180 5.032 1.00 0.00 C ATOM 623 CG ARG A 66 -4.467 10.375 4.458 1.00 0.00 C ATOM 624 CD ARG A 66 -5.301 11.233 3.506 1.00 0.00 C ATOM 625 NE ARG A 66 -5.867 12.425 4.149 1.00 0.00 N ATOM 626 CZ ARG A 66 -5.232 13.504 4.622 1.00 0.00 C ATOM 627 NH1 ARG A 66 -3.921 13.686 4.500 1.00 0.00 N ATOM 628 NH2 ARG A 66 -5.948 14.435 5.228 1.00 0.00 N ATOM 0 H ARG A 66 -6.188 6.802 5.142 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.093 7.963 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.231 9.100 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.436 9.318 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.108 10.996 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.588 10.005 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.679 11.542 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.111 10.629 3.098 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.882 12.432 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.351 12.985 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.485 14.527 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.957 14.320 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.492 15.269 5.599 1.00 0.00 H new ATOM 642 N ALA A 67 -3.408 7.515 6.959 1.00 0.00 N ATOM 643 CA ALA A 67 -2.313 7.454 7.908 1.00 0.00 C ATOM 644 C ALA A 67 -1.234 6.488 7.432 1.00 0.00 C ATOM 645 O ALA A 67 -0.070 6.878 7.379 1.00 0.00 O ATOM 646 CB ALA A 67 -2.789 7.018 9.287 1.00 0.00 C ATOM 0 H ALA A 67 -4.317 7.261 7.347 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.900 8.460 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.941 6.984 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.527 7.729 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.241 6.028 9.220 1.00 0.00 H new ATOM 652 N GLN A 68 -1.612 5.251 7.093 1.00 0.00 N ATOM 653 CA GLN A 68 -0.686 4.179 6.739 1.00 0.00 C ATOM 654 C GLN A 68 0.171 4.592 5.540 1.00 0.00 C ATOM 655 O GLN A 68 1.389 4.417 5.518 1.00 0.00 O ATOM 656 CB GLN A 68 -1.476 2.905 6.400 1.00 0.00 C ATOM 657 CG GLN A 68 -2.408 2.394 7.510 1.00 0.00 C ATOM 658 CD GLN A 68 -1.767 1.443 8.508 1.00 0.00 C ATOM 659 OE1 GLN A 68 -1.353 1.839 9.596 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.708 0.169 8.189 1.00 0.00 N ATOM 0 H GLN A 68 -2.590 4.965 7.057 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.030 3.984 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.072 3.094 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.768 2.114 6.150 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.804 3.252 8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.257 1.891 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.055 -0.147 7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.315 -0.504 8.847 1.00 0.00 H new ATOM 669 N LEU A 69 -0.466 5.187 4.533 1.00 0.00 N ATOM 670 CA LEU A 69 0.197 5.631 3.321 1.00 0.00 C ATOM 671 C LEU A 69 1.111 6.792 3.646 1.00 0.00 C ATOM 672 O LEU A 69 2.312 6.742 3.376 1.00 0.00 O ATOM 673 CB LEU A 69 -0.844 6.004 2.258 1.00 0.00 C ATOM 674 CG LEU A 69 -1.631 4.768 1.812 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.844 5.156 0.963 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.762 3.765 1.081 1.00 0.00 C ATOM 0 H LEU A 69 -1.469 5.374 4.542 1.00 0.00 H new ATOM 0 HA LEU A 69 0.805 4.824 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.528 6.752 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.348 6.455 1.399 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.990 4.283 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.381 4.256 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.506 5.796 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.510 5.692 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.366 2.907 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.336 4.232 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.042 3.433 1.738 1.00 0.00 H new ATOM 688 N ALA A 70 0.554 7.849 4.234 1.00 0.00 N ATOM 689 CA ALA A 70 1.317 9.029 4.580 1.00 0.00 C ATOM 690 C ALA A 70 2.459 8.703 5.547 1.00 0.00 C ATOM 691 O ALA A 70 3.416 9.479 5.616 1.00 0.00 O ATOM 692 CB ALA A 70 0.377 10.082 5.162 1.00 0.00 C ATOM 0 H ALA A 70 -0.434 7.904 4.480 1.00 0.00 H new ATOM 0 HA ALA A 70 1.781 9.424 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.947 10.973 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.381 10.341 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.106 9.685 6.054 1.00 0.00 H new ATOM 698 N SER A 71 2.394 7.562 6.243 1.00 0.00 N ATOM 699 CA SER A 71 3.450 7.135 7.151 1.00 0.00 C ATOM 700 C SER A 71 4.713 6.815 6.337 1.00 0.00 C ATOM 701 O SER A 71 5.812 7.269 6.668 1.00 0.00 O ATOM 702 CB SER A 71 2.958 5.958 8.006 1.00 0.00 C ATOM 703 OG SER A 71 3.968 5.547 8.912 1.00 0.00 O ATOM 0 H SER A 71 1.608 6.914 6.189 1.00 0.00 H new ATOM 0 HA SER A 71 3.711 7.931 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.064 6.250 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.678 5.125 7.362 1.00 0.00 H new ATOM 0 HG SER A 71 3.639 4.797 9.451 1.00 0.00 H new ATOM 709 N MET A 72 4.578 6.112 5.210 1.00 0.00 N ATOM 710 CA MET A 72 5.701 5.832 4.305 1.00 0.00 C ATOM 711 C MET A 72 6.173 7.105 3.589 1.00 0.00 C ATOM 712 O MET A 72 7.079 7.032 2.771 1.00 0.00 O ATOM 713 CB MET A 72 5.385 4.766 3.243 1.00 0.00 C ATOM 714 CG MET A 72 4.156 3.938 3.539 1.00 0.00 C ATOM 715 SD MET A 72 4.034 2.417 2.585 1.00 0.00 S ATOM 716 CE MET A 72 2.368 2.738 2.007 1.00 0.00 C ATOM 0 H MET A 72 3.690 5.720 4.897 1.00 0.00 H new ATOM 0 HA MET A 72 6.490 5.443 4.949 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.254 5.258 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.243 4.100 3.147 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.148 3.688 4.600 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.270 4.544 3.348 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.072 1.962 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.683 2.738 2.854 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.335 3.709 1.514 1.00 0.00 H new ATOM 726 N GLY A 73 5.551 8.262 3.832 1.00 0.00 N ATOM 727 CA GLY A 73 5.831 9.481 3.095 1.00 0.00 C ATOM 728 C GLY A 73 5.007 9.581 1.813 1.00 0.00 C ATOM 729 O GLY A 73 5.356 10.399 0.967 1.00 0.00 O ATOM 0 H GLY A 73 4.836 8.372 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.621 10.343 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.892 9.518 2.847 1.00 0.00 H new ATOM 733 N LEU A 74 3.944 8.780 1.625 1.00 0.00 N ATOM 734 CA LEU A 74 3.054 8.968 0.474 1.00 0.00 C ATOM 735 C LEU A 74 2.494 10.386 0.532 1.00 0.00 C ATOM 736 O LEU A 74 1.960 10.804 1.563 1.00 0.00 O ATOM 737 CB LEU A 74 1.926 7.943 0.417 1.00 0.00 C ATOM 738 CG LEU A 74 0.716 8.230 -0.504 1.00 0.00 C ATOM 739 CD1 LEU A 74 -0.385 9.007 0.221 1.00 0.00 C ATOM 740 CD2 LEU A 74 0.949 8.767 -1.919 1.00 0.00 C ATOM 0 H LEU A 74 3.686 8.011 2.244 1.00 0.00 H new ATOM 0 HA LEU A 74 3.634 8.818 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.358 6.991 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.547 7.809 1.430 1.00 0.00 H new ATOM 0 HG LEU A 74 0.392 7.213 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.214 9.186 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.737 8.428 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.011 9.961 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.010 8.908 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.473 9.721 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.550 8.055 -2.484 1.00 0.00 H new ATOM 752 N ASN A 75 2.629 11.127 -0.561 1.00 0.00 N ATOM 753 CA ASN A 75 2.208 12.517 -0.655 1.00 0.00 C ATOM 754 C ASN A 75 0.742 12.595 -1.058 1.00 0.00 C ATOM 755 O ASN A 75 0.416 12.639 -2.243 1.00 0.00 O ATOM 756 CB ASN A 75 3.039 13.319 -1.662 1.00 0.00 C ATOM 757 CG ASN A 75 2.734 14.811 -1.530 1.00 0.00 C ATOM 758 OD1 ASN A 75 1.924 15.222 -0.699 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.378 15.647 -2.317 1.00 0.00 N ATOM 0 H ASN A 75 3.042 10.771 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 75 2.359 12.955 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.101 13.141 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.818 12.984 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.209 16.650 -2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.046 15.292 -3.001 1.00 0.00 H new ATOM 766 N THR A 76 -0.160 12.650 -0.095 1.00 0.00 N ATOM 767 CA THR A 76 -1.586 12.764 -0.364 1.00 0.00 C ATOM 768 C THR A 76 -1.917 14.069 -1.093 1.00 0.00 C ATOM 769 O THR A 76 -2.861 14.103 -1.876 1.00 0.00 O ATOM 770 CB THR A 76 -2.335 12.699 0.975 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.861 13.652 1.899 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.103 11.380 1.707 1.00 0.00 C ATOM 0 H THR A 76 0.073 12.617 0.897 1.00 0.00 H new ATOM 0 HA THR A 76 -1.895 11.945 -1.014 1.00 0.00 H new ATOM 0 HB THR A 76 -3.377 12.855 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.675 13.213 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.654 11.384 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.450 10.554 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.039 11.259 1.910 1.00 0.00 H new ATOM 780 N ALA A 77 -1.130 15.137 -0.899 1.00 0.00 N ATOM 781 CA ALA A 77 -1.366 16.400 -1.586 1.00 0.00 C ATOM 782 C ALA A 77 -0.991 16.325 -3.067 1.00 0.00 C ATOM 783 O ALA A 77 -1.414 17.197 -3.823 1.00 0.00 O ATOM 784 CB ALA A 77 -0.594 17.532 -0.904 1.00 0.00 C ATOM 0 H ALA A 77 -0.327 15.144 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.435 16.607 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.781 18.468 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.923 17.625 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.473 17.310 -0.927 1.00 0.00 H new ATOM 790 N SER A 78 -0.240 15.315 -3.519 1.00 0.00 N ATOM 791 CA SER A 78 0.027 15.148 -4.947 1.00 0.00 C ATOM 792 C SER A 78 -1.197 14.623 -5.713 1.00 0.00 C ATOM 793 O SER A 78 -1.137 14.508 -6.937 1.00 0.00 O ATOM 794 CB SER A 78 1.234 14.227 -5.178 1.00 0.00 C ATOM 795 OG SER A 78 0.972 12.894 -4.788 1.00 0.00 O ATOM 0 H SER A 78 0.189 14.608 -2.921 1.00 0.00 H new ATOM 0 HA SER A 78 0.258 16.138 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.508 14.248 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.090 14.606 -4.619 1.00 0.00 H new ATOM 0 HG SER A 78 0.963 12.835 -3.810 1.00 0.00 H new ATOM 801 N VAL A 79 -2.279 14.230 -5.026 1.00 0.00 N ATOM 802 CA VAL A 79 -3.377 13.511 -5.623 1.00 0.00 C ATOM 803 C VAL A 79 -4.655 14.127 -5.060 1.00 0.00 C ATOM 804 O VAL A 79 -5.116 13.766 -3.975 1.00 0.00 O ATOM 805 CB VAL A 79 -3.090 12.005 -5.433 1.00 0.00 C ATOM 806 CG1 VAL A 79 -2.310 11.551 -4.181 1.00 0.00 C ATOM 807 CG2 VAL A 79 -4.277 11.093 -5.755 1.00 0.00 C ATOM 0 H VAL A 79 -2.403 14.412 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.508 13.597 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.344 11.866 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.193 10.467 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.327 12.022 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.858 11.842 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.991 10.053 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.115 11.343 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.572 11.233 -6.795 1.00 0.00 H new ATOM 817 N ALA A 80 -5.161 15.146 -5.768 1.00 0.00 N ATOM 818 CA ALA A 80 -6.313 15.957 -5.388 1.00 0.00 C ATOM 819 C ALA A 80 -7.563 15.080 -5.340 1.00 0.00 C ATOM 820 O ALA A 80 -8.179 14.799 -6.373 1.00 0.00 O ATOM 821 CB ALA A 80 -6.482 17.134 -6.359 1.00 0.00 C ATOM 0 H ALA A 80 -4.757 15.436 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.153 16.376 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.345 17.729 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.587 17.756 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.634 16.753 -7.369 1.00 0.00 H new ATOM 827 N GLY A 81 -7.903 14.606 -4.144 1.00 0.00 N ATOM 828 CA GLY A 81 -8.889 13.556 -3.933 1.00 0.00 C ATOM 829 C GLY A 81 -8.413 12.498 -2.940 1.00 0.00 C ATOM 830 O GLY A 81 -9.203 11.649 -2.532 1.00 0.00 O ATOM 0 H GLY A 81 -7.490 14.951 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.816 14.000 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.117 13.079 -4.886 1.00 0.00 H new ATOM 834 N MET A 82 -7.155 12.533 -2.499 1.00 0.00 N ATOM 835 CA MET A 82 -6.642 11.661 -1.450 1.00 0.00 C ATOM 836 C MET A 82 -6.609 12.381 -0.114 1.00 0.00 C ATOM 837 O MET A 82 -6.834 11.798 0.936 1.00 0.00 O ATOM 838 CB MET A 82 -5.225 11.238 -1.823 1.00 0.00 C ATOM 839 CG MET A 82 -4.717 10.168 -0.863 1.00 0.00 C ATOM 840 SD MET A 82 -3.319 9.214 -1.498 1.00 0.00 S ATOM 841 CE MET A 82 -4.162 8.389 -2.858 1.00 0.00 C ATOM 0 H MET A 82 -6.456 13.178 -2.868 1.00 0.00 H new ATOM 0 HA MET A 82 -7.295 10.793 -1.358 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.210 10.856 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.562 12.103 -1.797 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.424 10.644 0.073 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.534 9.485 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.552 7.558 -3.214 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.125 8.011 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.320 9.097 -3.671 1.00 0.00 H new ATOM 851 N ASN A 83 -6.303 13.667 -0.143 1.00 0.00 N ATOM 852 CA ASN A 83 -5.999 14.465 1.030 1.00 0.00 C ATOM 853 C ASN A 83 -7.231 14.916 1.834 1.00 0.00 C ATOM 854 O ASN A 83 -7.130 15.839 2.649 1.00 0.00 O ATOM 855 CB ASN A 83 -5.185 15.672 0.559 1.00 0.00 C ATOM 856 CG ASN A 83 -6.009 16.544 -0.377 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.248 16.179 -1.528 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.503 17.672 0.084 1.00 0.00 N ATOM 0 H ASN A 83 -6.258 14.200 -1.011 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.438 13.841 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.862 16.258 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.284 15.332 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.090 18.254 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.299 17.965 1.039 1.00 0.00 H new ATOM 865 N LEU A 84 -8.386 14.296 1.592 1.00 0.00 N ATOM 866 CA LEU A 84 -9.688 14.614 2.172 1.00 0.00 C ATOM 867 C LEU A 84 -10.404 13.384 2.747 1.00 0.00 C ATOM 868 O LEU A 84 -11.480 13.545 3.327 1.00 0.00 O ATOM 869 CB LEU A 84 -10.610 15.350 1.180 1.00 0.00 C ATOM 870 CG LEU A 84 -10.571 14.917 -0.292 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.327 15.487 -0.973 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.651 13.401 -0.487 1.00 0.00 C ATOM 0 H LEU A 84 -8.439 13.509 0.945 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.473 15.288 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.635 15.242 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.368 16.412 1.223 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.466 15.325 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.308 15.174 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.350 16.575 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.434 15.118 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.618 13.169 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.809 12.925 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.583 13.028 -0.063 1.00 0.00 H new ATOM 884 N LEU A 85 -9.873 12.168 2.571 1.00 0.00 N ATOM 885 CA LEU A 85 -10.539 10.919 2.970 1.00 0.00 C ATOM 886 C LEU A 85 -10.040 10.379 4.302 1.00 0.00 C ATOM 887 O LEU A 85 -9.122 10.947 4.906 1.00 0.00 O ATOM 888 CB LEU A 85 -10.590 9.891 1.829 1.00 0.00 C ATOM 889 CG LEU A 85 -9.258 9.706 1.096 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.264 9.110 2.079 1.00 0.00 C ATOM 891 CD2 LEU A 85 -9.321 8.843 -0.154 1.00 0.00 C ATOM 0 H LEU A 85 -8.959 12.020 2.143 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.584 11.163 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.906 8.930 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.349 10.199 1.110 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.956 10.691 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.304 8.967 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.139 9.786 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.636 8.149 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.328 8.774 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.670 7.845 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.009 9.291 -0.871 1.00 0.00 H new ATOM 903 N ALA A 86 -10.692 9.315 4.775 1.00 0.00 N ATOM 904 CA ALA A 86 -10.533 8.910 6.151 1.00 0.00 C ATOM 905 C ALA A 86 -9.137 8.338 6.427 1.00 0.00 C ATOM 906 O ALA A 86 -8.523 7.686 5.576 1.00 0.00 O ATOM 907 CB ALA A 86 -11.617 7.907 6.564 1.00 0.00 C ATOM 0 H ALA A 86 -11.324 8.733 4.225 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.645 9.808 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.470 7.621 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.599 8.365 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.553 7.021 5.932 1.00 0.00 H new ATOM 913 N ASP A 87 -8.673 8.502 7.664 1.00 0.00 N ATOM 914 CA ASP A 87 -7.414 7.929 8.149 1.00 0.00 C ATOM 915 C ASP A 87 -7.515 6.430 8.391 1.00 0.00 C ATOM 916 O ASP A 87 -6.494 5.804 8.662 1.00 0.00 O ATOM 917 CB ASP A 87 -6.938 8.649 9.420 1.00 0.00 C ATOM 918 CG ASP A 87 -6.404 10.044 9.134 1.00 0.00 C ATOM 919 OD1 ASP A 87 -7.209 11.009 9.167 1.00 0.00 O ATOM 920 OD2 ASP A 87 -5.203 10.185 8.831 1.00 0.00 O ATOM 0 H ASP A 87 -9.168 9.045 8.371 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.675 8.080 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.766 8.718 10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.159 8.056 9.899 1.00 0.00 H new ATOM 926 N ASP A 88 -8.689 5.827 8.199 1.00 0.00 N ATOM 927 CA ASP A 88 -8.885 4.395 8.096 1.00 0.00 C ATOM 928 C ASP A 88 -9.800 4.107 6.892 1.00 0.00 C ATOM 929 O ASP A 88 -10.644 3.206 6.944 1.00 0.00 O ATOM 930 CB ASP A 88 -9.463 3.872 9.410 1.00 0.00 C ATOM 931 CG ASP A 88 -8.470 3.665 10.552 1.00 0.00 C ATOM 932 OD1 ASP A 88 -7.307 3.232 10.342 1.00 0.00 O ATOM 933 OD2 ASP A 88 -8.913 3.817 11.712 1.00 0.00 O ATOM 0 H ASP A 88 -9.559 6.351 8.108 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.941 3.877 7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.231 4.568 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.959 2.922 9.211 1.00 0.00 H new ATOM 939 N ALA A 89 -9.656 4.845 5.783 1.00 0.00 N ATOM 940 CA ALA A 89 -10.311 4.511 4.514 1.00 0.00 C ATOM 941 C ALA A 89 -9.588 3.328 3.873 1.00 0.00 C ATOM 942 O ALA A 89 -8.392 3.155 4.096 1.00 0.00 O ATOM 943 CB ALA A 89 -10.263 5.710 3.556 1.00 0.00 C ATOM 0 H ALA A 89 -9.083 5.688 5.742 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.352 4.255 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.753 5.447 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.777 6.558 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.225 5.978 3.360 1.00 0.00 H new ATOM 949 N CYS A 90 -10.260 2.582 2.995 1.00 0.00 N ATOM 950 CA CYS A 90 -9.588 1.692 2.056 1.00 0.00 C ATOM 951 C CYS A 90 -9.204 2.551 0.856 1.00 0.00 C ATOM 952 O CYS A 90 -9.936 2.594 -0.134 1.00 0.00 O ATOM 953 CB CYS A 90 -10.507 0.526 1.664 1.00 0.00 C ATOM 954 SG CYS A 90 -10.956 -0.560 3.043 1.00 0.00 S ATOM 0 H CYS A 90 -11.277 2.579 2.917 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.700 1.236 2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.418 0.929 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.014 -0.068 0.894 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.200 -1.618 3.026 1.00 0.00 H new ATOM 960 N VAL A 91 -8.114 3.312 0.965 1.00 0.00 N ATOM 961 CA VAL A 91 -7.741 4.276 -0.062 1.00 0.00 C ATOM 962 C VAL A 91 -7.452 3.507 -1.356 1.00 0.00 C ATOM 963 O VAL A 91 -6.751 2.486 -1.315 1.00 0.00 O ATOM 964 CB VAL A 91 -6.528 5.118 0.389 1.00 0.00 C ATOM 965 CG1 VAL A 91 -6.108 6.171 -0.646 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.857 5.861 1.689 1.00 0.00 C ATOM 0 H VAL A 91 -7.474 3.276 1.759 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.557 4.978 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.708 4.412 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.251 6.729 -0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.838 5.677 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.937 6.856 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.995 6.452 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.709 6.521 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.101 5.139 2.469 1.00 0.00 H new ATOM 976 N PRO A 92 -7.933 3.994 -2.511 1.00 0.00 N ATOM 977 CA PRO A 92 -7.554 3.467 -3.813 1.00 0.00 C ATOM 978 C PRO A 92 -6.152 3.944 -4.175 1.00 0.00 C ATOM 979 O PRO A 92 -5.972 4.708 -5.120 1.00 0.00 O ATOM 980 CB PRO A 92 -8.621 3.970 -4.778 1.00 0.00 C ATOM 981 CG PRO A 92 -8.983 5.317 -4.179 1.00 0.00 C ATOM 982 CD PRO A 92 -8.877 5.097 -2.673 1.00 0.00 C ATOM 0 HA PRO A 92 -7.510 2.378 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.239 4.065 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.479 3.300 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.302 6.099 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.989 5.624 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.523 5.996 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.847 4.851 -2.242 1.00 0.00 H new ATOM 990 N LEU A 93 -5.148 3.518 -3.415 1.00 0.00 N ATOM 991 CA LEU A 93 -3.760 3.864 -3.664 1.00 0.00 C ATOM 992 C LEU A 93 -3.424 3.538 -5.114 1.00 0.00 C ATOM 993 O LEU A 93 -3.052 4.440 -5.844 1.00 0.00 O ATOM 994 CB LEU A 93 -2.887 3.158 -2.613 1.00 0.00 C ATOM 995 CG LEU A 93 -1.408 3.581 -2.515 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.488 2.772 -3.409 1.00 0.00 C ATOM 997 CD2 LEU A 93 -1.115 5.053 -2.775 1.00 0.00 C ATOM 0 H LEU A 93 -5.280 2.917 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.564 4.930 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.346 3.312 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.918 2.087 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.203 3.379 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.537 3.123 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.545 1.719 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.793 2.891 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.044 5.233 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.438 5.316 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.653 5.665 -2.050 1.00 0.00 H new ATOM 1009 N THR A 94 -3.667 2.329 -5.602 1.00 0.00 N ATOM 1010 CA THR A 94 -3.148 1.957 -6.917 1.00 0.00 C ATOM 1011 C THR A 94 -4.206 2.173 -8.014 1.00 0.00 C ATOM 1012 O THR A 94 -4.051 1.657 -9.122 1.00 0.00 O ATOM 1013 CB THR A 94 -2.504 0.571 -6.839 1.00 0.00 C ATOM 1014 OG1 THR A 94 -3.401 -0.442 -6.438 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.380 0.641 -5.805 1.00 0.00 C ATOM 0 H THR A 94 -4.204 1.605 -5.125 1.00 0.00 H new ATOM 0 HA THR A 94 -2.341 2.621 -7.226 1.00 0.00 H new ATOM 0 HB THR A 94 -2.151 0.314 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.932 -1.302 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.899 -0.334 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.646 1.384 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.794 0.923 -4.837 1.00 0.00 H new ATOM 1023 N THR A 95 -5.264 2.959 -7.738 1.00 0.00 N ATOM 1024 CA THR A 95 -6.266 3.345 -8.736 1.00 0.00 C ATOM 1025 C THR A 95 -6.403 4.878 -8.804 1.00 0.00 C ATOM 1026 O THR A 95 -6.837 5.403 -9.830 1.00 0.00 O ATOM 1027 CB THR A 95 -7.588 2.622 -8.412 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.375 1.235 -8.266 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.695 2.808 -9.450 1.00 0.00 C ATOM 0 H THR A 95 -5.444 3.343 -6.810 1.00 0.00 H new ATOM 0 HA THR A 95 -5.956 3.035 -9.734 1.00 0.00 H new ATOM 0 HB THR A 95 -7.924 3.085 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.225 0.794 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.585 2.263 -9.135 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.933 3.868 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.358 2.426 -10.414 1.00 0.00 H new ATOM 1037 N MET A 96 -6.000 5.616 -7.760 1.00 0.00 N ATOM 1038 CA MET A 96 -5.887 7.073 -7.777 1.00 0.00 C ATOM 1039 C MET A 96 -4.446 7.507 -7.999 1.00 0.00 C ATOM 1040 O MET A 96 -4.231 8.619 -8.478 1.00 0.00 O ATOM 1041 CB MET A 96 -6.389 7.669 -6.451 1.00 0.00 C ATOM 1042 CG MET A 96 -7.421 8.780 -6.653 1.00 0.00 C ATOM 1043 SD MET A 96 -8.599 9.004 -5.294 1.00 0.00 S ATOM 1044 CE MET A 96 -7.461 9.268 -3.914 1.00 0.00 C ATOM 0 H MET A 96 -5.739 5.204 -6.864 1.00 0.00 H new ATOM 0 HA MET A 96 -6.501 7.439 -8.600 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.829 6.877 -5.845 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.541 8.064 -5.892 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.892 9.720 -6.811 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.980 8.572 -7.565 1.00 0.00 H new ATOM 0 HE1 MET A 96 -8.030 9.458 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.843 8.381 -3.777 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.822 10.125 -4.128 1.00 0.00 H new ATOM 1054 N VAL A 97 -3.471 6.671 -7.635 1.00 0.00 N ATOM 1055 CA VAL A 97 -2.090 6.845 -7.988 1.00 0.00 C ATOM 1056 C VAL A 97 -1.781 5.839 -9.093 1.00 0.00 C ATOM 1057 O VAL A 97 -2.313 4.725 -9.095 1.00 0.00 O ATOM 1058 CB VAL A 97 -1.192 6.770 -6.735 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -1.827 7.296 -5.426 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.252 5.592 -6.573 1.00 0.00 C ATOM 0 H VAL A 97 -3.641 5.838 -7.072 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.878 7.837 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.463 7.531 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.112 7.197 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.096 8.345 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.721 6.717 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.304 5.695 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.828 4.667 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.445 5.565 -7.410 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.947 6.252 -10.041 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.405 5.409 -11.094 1.00 0.00 C ATOM 1072 C GLN A 98 0.973 4.929 -10.641 1.00 0.00 C ATOM 1073 O GLN A 98 1.563 5.534 -9.748 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.363 6.251 -12.382 1.00 0.00 C ATOM 1075 CG GLN A 98 0.236 5.519 -13.597 1.00 0.00 C ATOM 1076 CD GLN A 98 -0.335 5.987 -14.931 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -0.848 7.095 -15.065 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.282 5.138 -15.944 1.00 0.00 N ATOM 0 H GLN A 98 -0.620 7.217 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.010 4.525 -11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.376 6.569 -12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.218 7.154 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.316 5.664 -13.602 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.059 4.449 -13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.147 4.221 -15.819 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.670 5.400 -16.850 1.00 0.00 H new ATOM 1087 N ASP A 99 1.491 3.870 -11.264 1.00 0.00 N ATOM 1088 CA ASP A 99 2.860 3.338 -11.167 1.00 0.00 C ATOM 1089 C ASP A 99 3.168 2.654 -9.831 1.00 0.00 C ATOM 1090 O ASP A 99 3.976 1.722 -9.778 1.00 0.00 O ATOM 1091 CB ASP A 99 3.898 4.431 -11.460 1.00 0.00 C ATOM 1092 CG ASP A 99 5.193 3.847 -12.012 1.00 0.00 C ATOM 1093 OD1 ASP A 99 5.203 3.503 -13.214 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.236 3.865 -11.319 1.00 0.00 O ATOM 0 H ASP A 99 0.922 3.314 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 99 2.926 2.562 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.485 5.142 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.110 4.986 -10.546 1.00 0.00 H new ATOM 1100 N ALA A 100 2.497 3.071 -8.753 1.00 0.00 N ATOM 1101 CA ALA A 100 2.487 2.359 -7.491 1.00 0.00 C ATOM 1102 C ALA A 100 1.798 1.014 -7.653 1.00 0.00 C ATOM 1103 O ALA A 100 0.981 0.821 -8.550 1.00 0.00 O ATOM 1104 CB ALA A 100 1.700 3.150 -6.457 1.00 0.00 C ATOM 0 H ALA A 100 1.941 3.926 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 100 3.520 2.223 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.696 2.609 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.164 4.126 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.675 3.282 -6.803 1.00 0.00 H new ATOM 1110 N THR A 101 2.053 0.133 -6.699 1.00 0.00 N ATOM 1111 CA THR A 101 1.487 -1.205 -6.639 1.00 0.00 C ATOM 1112 C THR A 101 1.554 -1.661 -5.170 1.00 0.00 C ATOM 1113 O THR A 101 2.268 -1.035 -4.375 1.00 0.00 O ATOM 1114 CB THR A 101 2.286 -2.171 -7.546 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.679 -1.905 -7.477 1.00 0.00 O ATOM 1116 CG2 THR A 101 1.881 -2.130 -9.022 1.00 0.00 C ATOM 0 H THR A 101 2.680 0.336 -5.920 1.00 0.00 H new ATOM 0 HA THR A 101 0.456 -1.205 -6.994 1.00 0.00 H new ATOM 0 HB THR A 101 2.050 -3.161 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.161 -2.530 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.490 -2.837 -9.586 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.829 -2.400 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.035 -1.125 -9.414 1.00 0.00 H new ATOM 1124 N ALA A 102 0.866 -2.749 -4.800 1.00 0.00 N ATOM 1125 CA ALA A 102 0.961 -3.414 -3.504 1.00 0.00 C ATOM 1126 C ALA A 102 0.836 -4.939 -3.693 1.00 0.00 C ATOM 1127 O ALA A 102 -0.206 -5.549 -3.436 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.099 -2.835 -2.566 1.00 0.00 C ATOM 0 H ALA A 102 0.202 -3.205 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 102 1.933 -3.235 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.034 -3.327 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.070 -1.765 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.089 -2.999 -2.991 1.00 0.00 H new ATOM 1134 N HIS A 103 1.923 -5.536 -4.172 1.00 0.00 N ATOM 1135 CA HIS A 103 2.119 -6.970 -4.374 1.00 0.00 C ATOM 1136 C HIS A 103 2.298 -7.628 -3.004 1.00 0.00 C ATOM 1137 O HIS A 103 3.317 -7.448 -2.346 1.00 0.00 O ATOM 1138 CB HIS A 103 3.314 -7.172 -5.335 1.00 0.00 C ATOM 1139 CG HIS A 103 4.137 -8.445 -5.262 1.00 0.00 C ATOM 1140 ND1 HIS A 103 5.458 -8.525 -5.635 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.776 -9.691 -4.820 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.891 -9.766 -5.385 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.908 -10.515 -4.862 1.00 0.00 N ATOM 0 H HIS A 103 2.744 -4.997 -4.448 1.00 0.00 H new ATOM 0 HA HIS A 103 1.259 -7.449 -4.843 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.930 -7.092 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.996 -6.335 -5.185 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.789 -9.987 -4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.894 -10.117 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.972 -11.486 -4.557 1.00 0.00 H new ATOM 1152 N LEU A 104 1.319 -8.419 -2.560 1.00 0.00 N ATOM 1153 CA LEU A 104 1.492 -9.268 -1.384 1.00 0.00 C ATOM 1154 C LEU A 104 2.280 -10.464 -1.895 1.00 0.00 C ATOM 1155 O LEU A 104 1.735 -11.277 -2.639 1.00 0.00 O ATOM 1156 CB LEU A 104 0.135 -9.637 -0.747 1.00 0.00 C ATOM 1157 CG LEU A 104 0.001 -11.036 -0.118 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.316 -11.105 1.375 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.274 -11.724 -0.617 1.00 0.00 C ATOM 0 H LEU A 104 0.400 -8.488 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 104 2.026 -8.773 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.086 -8.899 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.634 -9.538 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 104 0.814 -11.662 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.194 -12.130 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.343 -10.783 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.364 -10.451 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.355 -12.712 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.142 -11.126 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.233 -11.824 -1.702 1.00 0.00 H new ATOM 1171 N ASP A 105 3.544 -10.563 -1.503 1.00 0.00 N ATOM 1172 CA ASP A 105 4.278 -11.813 -1.561 1.00 0.00 C ATOM 1173 C ASP A 105 3.847 -12.607 -0.336 1.00 0.00 C ATOM 1174 O ASP A 105 4.260 -12.266 0.781 1.00 0.00 O ATOM 1175 CB ASP A 105 5.791 -11.553 -1.513 1.00 0.00 C ATOM 1176 CG ASP A 105 6.603 -12.797 -1.835 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.712 -12.646 -2.394 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.123 -13.919 -1.566 1.00 0.00 O ATOM 0 H ASP A 105 4.085 -9.779 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 105 4.071 -12.351 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.044 -10.764 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.063 -11.191 -0.522 1.00 0.00 H new ATOM 1184 N VAL A 106 2.943 -13.575 -0.461 1.00 0.00 N ATOM 1185 CA VAL A 106 2.657 -14.482 0.630 1.00 0.00 C ATOM 1186 C VAL A 106 3.883 -15.343 0.944 1.00 0.00 C ATOM 1187 O VAL A 106 4.249 -15.462 2.112 1.00 0.00 O ATOM 1188 CB VAL A 106 1.455 -15.379 0.304 1.00 0.00 C ATOM 1189 CG1 VAL A 106 0.953 -15.882 1.648 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.282 -14.655 -0.358 1.00 0.00 C ATOM 0 H VAL A 106 2.401 -13.746 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 106 2.409 -13.883 1.506 1.00 0.00 H new ATOM 0 HB VAL A 106 1.786 -16.146 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.091 -16.532 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.745 -16.441 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.662 -15.034 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.521 -15.366 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.081 -13.869 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.611 -14.214 -1.299 1.00 0.00 H new ATOM 1200 N GLY A 107 4.515 -15.925 -0.079 1.00 0.00 N ATOM 1201 CA GLY A 107 5.631 -16.848 0.043 1.00 0.00 C ATOM 1202 C GLY A 107 6.748 -16.311 0.927 1.00 0.00 C ATOM 1203 O GLY A 107 7.311 -17.077 1.710 1.00 0.00 O ATOM 0 H GLY A 107 4.248 -15.755 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.272 -17.792 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.030 -17.062 -0.949 1.00 0.00 H new ATOM 1207 N GLN A 108 7.039 -15.009 0.849 1.00 0.00 N ATOM 1208 CA GLN A 108 8.026 -14.341 1.684 1.00 0.00 C ATOM 1209 C GLN A 108 7.399 -13.382 2.711 1.00 0.00 C ATOM 1210 O GLN A 108 8.133 -12.699 3.426 1.00 0.00 O ATOM 1211 CB GLN A 108 9.107 -13.687 0.791 1.00 0.00 C ATOM 1212 CG GLN A 108 10.416 -13.327 1.517 1.00 0.00 C ATOM 1213 CD GLN A 108 10.903 -14.425 2.462 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.663 -15.308 2.075 1.00 0.00 O ATOM 1215 NE2 GLN A 108 10.445 -14.428 3.704 1.00 0.00 N ATOM 0 H GLN A 108 6.582 -14.382 0.187 1.00 0.00 H new ATOM 0 HA GLN A 108 8.520 -15.091 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.339 -14.366 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.693 -12.781 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.190 -13.124 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.268 -12.408 2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.814 -13.690 4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.723 -15.168 4.348 1.00 0.00 H new ATOM 1224 N GLN A 109 6.068 -13.334 2.820 1.00 0.00 N ATOM 1225 CA GLN A 109 5.312 -12.451 3.701 1.00 0.00 C ATOM 1226 C GLN A 109 5.759 -10.993 3.570 1.00 0.00 C ATOM 1227 O GLN A 109 5.872 -10.260 4.552 1.00 0.00 O ATOM 1228 CB GLN A 109 5.339 -12.990 5.136 1.00 0.00 C ATOM 1229 CG GLN A 109 4.608 -14.333 5.213 1.00 0.00 C ATOM 1230 CD GLN A 109 4.336 -14.778 6.641 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.025 -15.631 7.199 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.268 -14.277 7.246 1.00 0.00 N ATOM 0 H GLN A 109 5.463 -13.941 2.267 1.00 0.00 H new ATOM 0 HA GLN A 109 4.267 -12.445 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.370 -13.110 5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.869 -12.273 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.663 -14.258 4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.203 -15.094 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.701 -13.570 6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.013 -14.598 8.180 1.00 0.00 H new ATOM 1241 N ARG A 110 6.009 -10.576 2.331 1.00 0.00 N ATOM 1242 CA ARG A 110 6.621 -9.296 2.012 1.00 0.00 C ATOM 1243 C ARG A 110 5.706 -8.542 1.074 1.00 0.00 C ATOM 1244 O ARG A 110 5.606 -8.858 -0.108 1.00 0.00 O ATOM 1245 CB ARG A 110 8.034 -9.521 1.471 1.00 0.00 C ATOM 1246 CG ARG A 110 8.820 -8.206 1.267 1.00 0.00 C ATOM 1247 CD ARG A 110 9.449 -8.064 -0.132 1.00 0.00 C ATOM 1248 NE ARG A 110 10.830 -7.562 -0.083 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.468 -6.793 -0.978 1.00 0.00 C ATOM 1250 NH1 ARG A 110 10.895 -6.381 -2.099 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.712 -6.414 -0.730 1.00 0.00 N ATOM 0 H ARG A 110 5.786 -11.133 1.506 1.00 0.00 H new ATOM 0 HA ARG A 110 6.741 -8.675 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.583 -10.163 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.973 -10.052 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 110 8.150 -7.364 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.609 -8.146 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.436 -9.032 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.841 -7.387 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 110 11.373 -7.833 0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.933 -6.648 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.416 -5.797 -2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.172 -6.707 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.210 -5.829 -1.401 1.00 0.00 H new ATOM 1265 N LEU A 111 5.003 -7.560 1.626 1.00 0.00 N ATOM 1266 CA LEU A 111 4.040 -6.761 0.905 1.00 0.00 C ATOM 1267 C LEU A 111 4.841 -5.722 0.126 1.00 0.00 C ATOM 1268 O LEU A 111 5.024 -4.578 0.551 1.00 0.00 O ATOM 1269 CB LEU A 111 2.977 -6.255 1.891 1.00 0.00 C ATOM 1270 CG LEU A 111 1.864 -5.403 1.271 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.142 -6.074 0.107 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.819 -5.021 2.320 1.00 0.00 C ATOM 0 H LEU A 111 5.094 -7.298 2.607 1.00 0.00 H new ATOM 0 HA LEU A 111 3.452 -7.299 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.523 -7.115 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.472 -5.669 2.665 1.00 0.00 H new ATOM 0 HG LEU A 111 2.373 -4.521 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.370 -5.407 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.857 -6.294 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.683 -7.001 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.040 -4.417 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.376 -5.925 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.295 -4.449 3.116 1.00 0.00 H new ATOM 1284 N ASN A 112 5.388 -6.203 -0.987 1.00 0.00 N ATOM 1285 CA ASN A 112 6.140 -5.511 -2.016 1.00 0.00 C ATOM 1286 C ASN A 112 5.304 -4.338 -2.473 1.00 0.00 C ATOM 1287 O ASN A 112 4.183 -4.494 -2.957 1.00 0.00 O ATOM 1288 CB ASN A 112 6.373 -6.411 -3.235 1.00 0.00 C ATOM 1289 CG ASN A 112 7.515 -7.390 -3.109 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.640 -7.088 -3.482 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.277 -8.566 -2.569 1.00 0.00 N ATOM 0 H ASN A 112 5.303 -7.195 -1.208 1.00 0.00 H new ATOM 0 HA ASN A 112 7.105 -5.209 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.458 -6.970 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.554 -5.778 -4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.035 -9.239 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.334 -8.805 -2.262 1.00 0.00 H new ATOM 1298 N LEU A 113 5.847 -3.149 -2.316 1.00 0.00 N ATOM 1299 CA LEU A 113 5.142 -1.922 -2.562 1.00 0.00 C ATOM 1300 C LEU A 113 6.031 -1.000 -3.366 1.00 0.00 C ATOM 1301 O LEU A 113 7.255 -0.995 -3.202 1.00 0.00 O ATOM 1302 CB LEU A 113 4.775 -1.307 -1.204 1.00 0.00 C ATOM 1303 CG LEU A 113 3.266 -1.177 -1.019 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.663 -2.315 -0.222 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.968 0.172 -0.413 1.00 0.00 C ATOM 0 H LEU A 113 6.810 -3.013 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 113 4.229 -2.092 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.185 -1.924 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.236 -0.323 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 113 2.789 -1.247 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.588 -2.163 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.852 -3.258 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.115 -2.344 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.892 0.279 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.468 0.256 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.328 0.957 -1.078 1.00 0.00 H new ATOM 1317 N THR A 114 5.408 -0.140 -4.153 1.00 0.00 N ATOM 1318 CA THR A 114 6.088 0.917 -4.871 1.00 0.00 C ATOM 1319 C THR A 114 5.221 2.159 -4.769 1.00 0.00 C ATOM 1320 O THR A 114 3.998 2.033 -4.690 1.00 0.00 O ATOM 1321 CB THR A 114 6.279 0.482 -6.336 1.00 0.00 C ATOM 1322 OG1 THR A 114 7.023 -0.718 -6.443 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.004 1.542 -7.159 1.00 0.00 C ATOM 0 H THR A 114 4.401 -0.159 -4.312 1.00 0.00 H new ATOM 0 HA THR A 114 7.073 1.126 -4.454 1.00 0.00 H new ATOM 0 HB THR A 114 5.271 0.333 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.120 -0.960 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.116 1.192 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.426 2.466 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.988 1.726 -6.729 1.00 0.00 H new ATOM 1331 N ILE A 115 5.842 3.337 -4.810 1.00 0.00 N ATOM 1332 CA ILE A 115 5.196 4.602 -5.120 1.00 0.00 C ATOM 1333 C ILE A 115 6.156 5.385 -6.034 1.00 0.00 C ATOM 1334 O ILE A 115 7.354 5.422 -5.736 1.00 0.00 O ATOM 1335 CB ILE A 115 4.828 5.340 -3.807 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.557 4.709 -3.187 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.598 6.838 -4.017 1.00 0.00 C ATOM 1338 CD1 ILE A 115 3.029 5.441 -1.953 1.00 0.00 C ATOM 0 H ILE A 115 6.840 3.435 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 115 4.252 4.472 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 115 5.677 5.229 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.772 4.683 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.773 3.675 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.344 7.304 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.506 7.294 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.781 6.985 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.138 4.934 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.794 5.444 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.778 6.468 -2.219 1.00 0.00 H new ATOM 1350 N PRO A 116 5.656 6.022 -7.110 1.00 0.00 N ATOM 1351 CA PRO A 116 6.427 6.940 -7.936 1.00 0.00 C ATOM 1352 C PRO A 116 6.862 8.147 -7.102 1.00 0.00 C ATOM 1353 O PRO A 116 6.070 8.656 -6.302 1.00 0.00 O ATOM 1354 CB PRO A 116 5.471 7.361 -9.056 1.00 0.00 C ATOM 1355 CG PRO A 116 4.094 7.213 -8.450 1.00 0.00 C ATOM 1356 CD PRO A 116 4.268 6.010 -7.542 1.00 0.00 C ATOM 0 HA PRO A 116 7.335 6.488 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 116 5.658 8.387 -9.373 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.588 6.729 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.797 8.102 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.331 7.042 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.594 6.068 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.033 5.086 -8.071 1.00 0.00 H new ATOM 1364 N GLN A 117 8.082 8.642 -7.315 1.00 0.00 N ATOM 1365 CA GLN A 117 8.647 9.775 -6.565 1.00 0.00 C ATOM 1366 C GLN A 117 7.726 10.998 -6.542 1.00 0.00 C ATOM 1367 O GLN A 117 7.670 11.703 -5.534 1.00 0.00 O ATOM 1368 CB GLN A 117 10.022 10.181 -7.111 1.00 0.00 C ATOM 1369 CG GLN A 117 11.146 9.246 -6.645 1.00 0.00 C ATOM 1370 CD GLN A 117 11.334 9.249 -5.128 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.407 10.297 -4.491 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.424 8.084 -4.503 1.00 0.00 N ATOM 0 H GLN A 117 8.716 8.266 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 117 8.755 9.421 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.988 10.186 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.248 11.199 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.928 8.231 -6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.080 9.543 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.363 7.215 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.554 8.057 -3.492 1.00 0.00 H new ATOM 1381 N ALA A 118 6.957 11.215 -7.608 1.00 0.00 N ATOM 1382 CA ALA A 118 5.931 12.237 -7.688 1.00 0.00 C ATOM 1383 C ALA A 118 4.996 12.210 -6.472 1.00 0.00 C ATOM 1384 O ALA A 118 4.696 13.269 -5.917 1.00 0.00 O ATOM 1385 CB ALA A 118 5.141 12.012 -8.974 1.00 0.00 C ATOM 0 H ALA A 118 7.038 10.664 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 118 6.405 13.219 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.361 12.769 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.812 12.084 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.685 11.022 -8.953 1.00 0.00 H new ATOM 1391 N PHE A 119 4.516 11.029 -6.060 1.00 0.00 N ATOM 1392 CA PHE A 119 3.601 10.903 -4.936 1.00 0.00 C ATOM 1393 C PHE A 119 4.389 10.606 -3.650 1.00 0.00 C ATOM 1394 O PHE A 119 3.895 9.899 -2.771 1.00 0.00 O ATOM 1395 CB PHE A 119 2.550 9.807 -5.223 1.00 0.00 C ATOM 1396 CG PHE A 119 1.504 10.030 -6.308 1.00 0.00 C ATOM 1397 CD1 PHE A 119 1.886 10.105 -7.652 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.133 9.987 -6.004 1.00 0.00 C ATOM 1399 CE1 PHE A 119 0.929 10.089 -8.677 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.826 9.994 -7.038 1.00 0.00 C ATOM 1401 CZ PHE A 119 -0.432 10.025 -8.379 1.00 0.00 C ATOM 0 H PHE A 119 4.755 10.141 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 119 3.069 11.844 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.091 8.895 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.017 9.615 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 119 2.934 10.176 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.188 9.948 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 119 1.249 10.127 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.877 9.975 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.168 10.000 -9.169 1.00 0.00 H new ATOM 1411 N MET A 120 5.565 11.211 -3.448 1.00 0.00 N ATOM 1412 CA MET A 120 6.350 11.068 -2.222 1.00 0.00 C ATOM 1413 C MET A 120 6.631 12.455 -1.667 1.00 0.00 C ATOM 1414 O MET A 120 6.794 13.414 -2.419 1.00 0.00 O ATOM 1415 CB MET A 120 7.631 10.258 -2.474 1.00 0.00 C ATOM 1416 CG MET A 120 7.306 8.844 -2.975 1.00 0.00 C ATOM 1417 SD MET A 120 7.900 7.481 -1.933 1.00 0.00 S ATOM 1418 CE MET A 120 6.809 7.729 -0.504 1.00 0.00 C ATOM 0 H MET A 120 6.001 11.820 -4.140 1.00 0.00 H new ATOM 0 HA MET A 120 5.787 10.504 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.251 10.773 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.212 10.196 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.224 8.754 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.730 8.726 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.050 6.999 0.269 1.00 0.00 H new ATOM 0 HE2 MET A 120 6.950 8.735 -0.109 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.771 7.602 -0.812 1.00 0.00 H new ATOM 1428 N SER A 121 6.606 12.592 -0.342 1.00 0.00 N ATOM 1429 CA SER A 121 6.675 13.892 0.301 1.00 0.00 C ATOM 1430 C SER A 121 8.064 14.501 0.127 1.00 0.00 C ATOM 1431 O SER A 121 8.172 15.680 -0.208 1.00 0.00 O ATOM 1432 CB SER A 121 6.283 13.757 1.774 1.00 0.00 C ATOM 1433 OG SER A 121 7.072 12.793 2.455 1.00 0.00 O ATOM 0 H SER A 121 6.538 11.808 0.307 1.00 0.00 H new ATOM 0 HA SER A 121 5.968 14.574 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.389 14.724 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.232 13.478 1.844 1.00 0.00 H new ATOM 0 HG SER A 121 6.789 12.741 3.392 1.00 0.00 H new