USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1137 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 113 SER OG : rot 180:sc= -0.39 USER MOD Set 1.2: A 117 GLN : amide:sc= -6.64! K(o=-7!,f=-3.7) USER MOD Set 2.1: A 3 ASN : amide:sc= -2.18 X(o=-6.8,f=-6.3!) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 63 ASN : amide:sc= -4.59 X(o=-6.8,f=-7) USER MOD Set 3.1: A 18 CYS SG : rot -153:sc= -4.93 USER MOD Set 3.2: A 28 CYS SG : rot -73:sc= -6.81! USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= -0.441 (180deg=-1.53!) USER MOD Single : A 6 HIS : no HD1:sc= -0.931 K(o=-0.93,f=-0.075) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.51! K(o=-4.5!,f=-1.6) USER MOD Single : A 15 HIS : no HE2:sc= -4.26! C(o=-4.3!,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -115:sc= -1.38 (180deg=-2.72) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -90:sc= -9.04! USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= -0.0466 (180deg=-0.0945) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.757 (180deg=-2) USER MOD Single : A 27 GLN : amide:sc= -7.06! C(o=-7.1!,f=-12!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 163:sc= -0.0289 (180deg=-0.322) USER MOD Single : A 46 GLN : amide:sc= -8.33! C(o=-8.3!,f=-14!) USER MOD Single : A 55 SER OG : rot -19:sc= -1.26 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 148:sc= -4.41 (180deg=-9.06!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.5 K(o=-2.5,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.00883 (180deg=0.00342) USER MOD Single : A 80 SER OG : rot 8:sc= 1.48 USER MOD Single : A 81 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.02) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.9!) USER MOD Single : A 86 CYS SG : rot -22:sc= 0.0936 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.951) USER MOD Single : A 102 ASN : amide:sc= -7.26! C(o=-7.3!,f=-13!) USER MOD Single : A 104 LYS NZ :NH3+ -148:sc= -0.0365 (180deg=-0.747) USER MOD Single : A 106 SER OG : rot -123:sc= -0.475 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : A 122 MET CE :methyl 142:sc= -9.11! (180deg=-14.4!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.0036 USER MOD Single : A 129 GLN : amide:sc= -12.7! C(o=-13!,f=-12!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.8) USER MOD Single : A 138 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.11) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.219 -0.335 -5.799 1.00 0.00 N ATOM 21 CA GLU A 2 -17.722 -1.281 -6.792 1.00 0.00 C ATOM 22 C GLU A 2 -16.203 -1.388 -6.731 1.00 0.00 C ATOM 23 O GLU A 2 -15.632 -2.437 -7.033 1.00 0.00 O ATOM 24 CB GLU A 2 -18.158 -0.856 -8.196 1.00 0.00 C ATOM 25 CG GLU A 2 -19.623 -1.134 -8.489 1.00 0.00 C ATOM 26 CD GLU A 2 -20.557 -0.418 -7.533 1.00 0.00 C ATOM 27 OE1 GLU A 2 -20.865 0.767 -7.781 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.979 -1.041 -6.536 1.00 0.00 O ATOM 0 HA GLU A 2 -18.146 -2.260 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.968 0.210 -8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.544 -1.377 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.850 -0.827 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.804 -2.207 -8.431 1.00 0.00 H new ATOM 35 N ASN A 3 -15.551 -0.297 -6.339 1.00 0.00 N ATOM 36 CA ASN A 3 -14.099 -0.267 -6.239 1.00 0.00 C ATOM 37 C ASN A 3 -13.629 -0.870 -4.921 1.00 0.00 C ATOM 38 O ASN A 3 -12.553 -1.464 -4.846 1.00 0.00 O ATOM 39 CB ASN A 3 -13.597 1.170 -6.339 1.00 0.00 C ATOM 40 CG ASN A 3 -14.187 1.922 -7.512 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.857 1.344 -8.367 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.935 3.225 -7.554 1.00 0.00 N ATOM 0 H ASN A 3 -16.008 0.579 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.694 -0.858 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.839 1.699 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.511 1.164 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.303 3.791 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.374 3.660 -6.821 1.00 0.00 H new ATOM 49 N LEU A 4 -14.439 -0.704 -3.881 1.00 0.00 N ATOM 50 CA LEU A 4 -14.106 -1.218 -2.559 1.00 0.00 C ATOM 51 C LEU A 4 -13.761 -2.698 -2.624 1.00 0.00 C ATOM 52 O LEU A 4 -12.736 -3.131 -2.104 1.00 0.00 O ATOM 53 CB LEU A 4 -15.272 -0.994 -1.594 1.00 0.00 C ATOM 54 CG LEU A 4 -15.241 0.338 -0.842 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.649 0.778 -0.474 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.372 0.225 0.401 1.00 0.00 C ATOM 0 H LEU A 4 -15.333 -0.216 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.233 -0.677 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.205 -1.056 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.283 -1.805 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.808 1.094 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.606 1.727 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.241 0.899 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.111 0.024 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.360 1.181 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.776 -0.544 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.356 -0.043 0.111 1.00 0.00 H new ATOM 68 N LYS A 5 -14.620 -3.468 -3.273 1.00 0.00 N ATOM 69 CA LYS A 5 -14.397 -4.902 -3.406 1.00 0.00 C ATOM 70 C LYS A 5 -13.140 -5.184 -4.221 1.00 0.00 C ATOM 71 O LYS A 5 -12.543 -6.255 -4.108 1.00 0.00 O ATOM 72 CB LYS A 5 -15.607 -5.579 -4.051 1.00 0.00 C ATOM 73 CG LYS A 5 -16.933 -5.193 -3.416 1.00 0.00 C ATOM 74 CD LYS A 5 -16.955 -5.516 -1.930 1.00 0.00 C ATOM 75 CE LYS A 5 -18.343 -5.930 -1.471 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.915 -7.006 -2.327 1.00 0.00 N ATOM 0 H LYS A 5 -15.474 -3.128 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.259 -5.314 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.633 -5.324 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.484 -6.660 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.110 -4.127 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.745 -5.721 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.247 -6.318 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.628 -4.645 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.296 -6.275 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.004 -5.063 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.403 -7.703 -1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.593 -6.592 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.150 -7.475 -2.852 1.00 0.00 H new ATOM 90 N HIS A 6 -12.731 -4.211 -5.027 1.00 0.00 N ATOM 91 CA HIS A 6 -11.533 -4.352 -5.841 1.00 0.00 C ATOM 92 C HIS A 6 -10.314 -3.908 -5.044 1.00 0.00 C ATOM 93 O HIS A 6 -9.204 -4.396 -5.253 1.00 0.00 O ATOM 94 CB HIS A 6 -11.651 -3.530 -7.125 1.00 0.00 C ATOM 95 CG HIS A 6 -10.879 -4.106 -8.272 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.279 -5.235 -8.956 1.00 0.00 N ATOM 97 CD2 HIS A 6 -9.722 -3.707 -8.851 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.401 -5.506 -9.905 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.448 -4.594 -9.864 1.00 0.00 N ATOM 0 H HIS A 6 -13.212 -3.318 -5.133 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.420 -5.401 -6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.702 -3.455 -7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.300 -2.516 -6.932 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.126 -2.852 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.454 -6.333 -10.597 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.639 -4.554 -10.484 1.00 0.00 H new ATOM 108 N ILE A 7 -10.541 -2.983 -4.115 1.00 0.00 N ATOM 109 CA ILE A 7 -9.481 -2.471 -3.264 1.00 0.00 C ATOM 110 C ILE A 7 -9.234 -3.419 -2.098 1.00 0.00 C ATOM 111 O ILE A 7 -8.093 -3.755 -1.790 1.00 0.00 O ATOM 112 CB ILE A 7 -9.832 -1.068 -2.728 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.664 -0.030 -3.841 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.965 -0.703 -1.525 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.947 0.656 -4.256 1.00 0.00 C ATOM 0 H ILE A 7 -11.458 -2.573 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.575 -2.397 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.871 -1.076 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.952 0.727 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.229 -0.518 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.236 0.291 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.124 -1.429 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.915 -0.710 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.736 1.374 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.656 -0.088 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.375 1.176 -3.399 1.00 0.00 H new ATOM 127 N ILE A 8 -10.315 -3.851 -1.455 1.00 0.00 N ATOM 128 CA ILE A 8 -10.213 -4.765 -0.328 1.00 0.00 C ATOM 129 C ILE A 8 -9.555 -6.058 -0.769 1.00 0.00 C ATOM 130 O ILE A 8 -8.608 -6.539 -0.147 1.00 0.00 O ATOM 131 CB ILE A 8 -11.599 -5.094 0.246 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.344 -3.812 0.616 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.481 -6.013 1.451 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.844 -3.987 0.684 1.00 0.00 C ATOM 0 H ILE A 8 -11.269 -3.582 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.614 -4.277 0.441 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.171 -5.615 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.983 -3.457 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.109 -3.040 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.475 -6.232 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.995 -6.942 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.888 -5.525 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.309 -3.038 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.217 -4.313 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.089 -4.736 1.437 1.00 0.00 H new ATOM 146 N THR A 9 -10.066 -6.611 -1.861 1.00 0.00 N ATOM 147 CA THR A 9 -9.530 -7.847 -2.411 1.00 0.00 C ATOM 148 C THR A 9 -8.057 -7.663 -2.742 1.00 0.00 C ATOM 149 O THR A 9 -7.219 -8.494 -2.390 1.00 0.00 O ATOM 150 CB THR A 9 -10.312 -8.264 -3.660 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.113 -9.637 -3.940 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.926 -7.482 -4.897 1.00 0.00 C ATOM 0 H THR A 9 -10.851 -6.222 -2.383 1.00 0.00 H new ATOM 0 HA THR A 9 -9.631 -8.638 -1.668 1.00 0.00 H new ATOM 0 HB THR A 9 -11.357 -8.055 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.622 -9.885 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.517 -7.827 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.115 -6.421 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.867 -7.633 -5.107 1.00 0.00 H new ATOM 160 N LEU A 10 -7.746 -6.553 -3.404 1.00 0.00 N ATOM 161 CA LEU A 10 -6.373 -6.249 -3.757 1.00 0.00 C ATOM 162 C LEU A 10 -5.573 -5.984 -2.498 1.00 0.00 C ATOM 163 O LEU A 10 -4.393 -6.322 -2.418 1.00 0.00 O ATOM 164 CB LEU A 10 -6.295 -5.045 -4.698 1.00 0.00 C ATOM 165 CG LEU A 10 -4.903 -4.762 -5.272 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.142 -6.060 -5.515 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.014 -3.959 -6.560 1.00 0.00 C ATOM 0 H LEU A 10 -8.426 -5.855 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.953 -7.107 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.987 -5.204 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.637 -4.160 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.346 -4.174 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.157 -5.833 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.030 -6.598 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.694 -6.678 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.017 -3.766 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.592 -4.523 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.513 -3.012 -6.356 1.00 0.00 H new ATOM 179 N GLY A 11 -6.233 -5.411 -1.496 1.00 0.00 N ATOM 180 CA GLY A 11 -5.563 -5.158 -0.244 1.00 0.00 C ATOM 181 C GLY A 11 -5.112 -6.459 0.381 1.00 0.00 C ATOM 182 O GLY A 11 -4.126 -6.500 1.114 1.00 0.00 O ATOM 0 H GLY A 11 -7.210 -5.122 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.703 -4.508 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.234 -4.633 0.436 1.00 0.00 H new ATOM 186 N GLN A 12 -5.837 -7.533 0.060 1.00 0.00 N ATOM 187 CA GLN A 12 -5.509 -8.859 0.563 1.00 0.00 C ATOM 188 C GLN A 12 -4.393 -9.471 -0.267 1.00 0.00 C ATOM 189 O GLN A 12 -3.510 -10.145 0.260 1.00 0.00 O ATOM 190 CB GLN A 12 -6.739 -9.769 0.530 1.00 0.00 C ATOM 191 CG GLN A 12 -7.841 -9.339 1.481 1.00 0.00 C ATOM 192 CD GLN A 12 -7.361 -9.229 2.913 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.536 -10.020 3.368 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.881 -8.244 3.631 1.00 0.00 N ATOM 0 H GLN A 12 -6.656 -7.505 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.176 -8.761 1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.136 -9.792 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.434 -10.786 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.239 -8.376 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.661 -10.056 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.563 -7.612 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.600 -8.118 4.603 1.00 0.00 H new ATOM 203 N VAL A 13 -4.426 -9.209 -1.569 1.00 0.00 N ATOM 204 CA VAL A 13 -3.400 -9.713 -2.464 1.00 0.00 C ATOM 205 C VAL A 13 -2.106 -8.983 -2.188 1.00 0.00 C ATOM 206 O VAL A 13 -1.103 -9.585 -1.816 1.00 0.00 O ATOM 207 CB VAL A 13 -3.800 -9.524 -3.933 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.606 -9.713 -4.860 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.923 -10.479 -4.289 1.00 0.00 C ATOM 0 H VAL A 13 -5.150 -8.653 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.275 -10.781 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.154 -8.502 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.922 -9.573 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.835 -8.983 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.205 -10.719 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.202 -10.339 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.590 -11.506 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.786 -10.279 -3.653 1.00 0.00 H new ATOM 219 N ILE A 14 -2.153 -7.668 -2.338 1.00 0.00 N ATOM 220 CA ILE A 14 -1.003 -6.826 -2.068 1.00 0.00 C ATOM 221 C ILE A 14 -0.341 -7.273 -0.771 1.00 0.00 C ATOM 222 O ILE A 14 0.877 -7.209 -0.625 1.00 0.00 O ATOM 223 CB ILE A 14 -1.434 -5.345 -1.955 1.00 0.00 C ATOM 224 CG1 ILE A 14 -1.044 -4.575 -3.211 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.847 -4.679 -0.717 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.701 -3.220 -3.291 1.00 0.00 C ATOM 0 H ILE A 14 -2.982 -7.161 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.294 -6.919 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.519 -5.327 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.039 -4.451 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.317 -5.159 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.173 -3.640 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.189 -5.204 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.241 -4.716 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.387 -2.717 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.784 -3.341 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.407 -2.622 -2.429 1.00 0.00 H new ATOM 238 N HIS A 15 -1.172 -7.727 0.163 1.00 0.00 N ATOM 239 CA HIS A 15 -0.702 -8.196 1.453 1.00 0.00 C ATOM 240 C HIS A 15 -0.254 -9.657 1.375 1.00 0.00 C ATOM 241 O HIS A 15 0.730 -10.042 2.006 1.00 0.00 O ATOM 242 CB HIS A 15 -1.814 -8.008 2.490 1.00 0.00 C ATOM 243 CG HIS A 15 -1.932 -9.109 3.494 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.866 -10.113 3.389 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.237 -9.357 4.630 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.747 -10.930 4.414 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.765 -10.497 5.183 1.00 0.00 N ATOM 0 H HIS A 15 -2.184 -7.778 0.043 1.00 0.00 H new ATOM 0 HA HIS A 15 0.167 -7.612 1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.642 -7.071 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.765 -7.909 1.967 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.545 -10.209 2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.422 -8.769 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.351 -11.807 4.595 1.00 0.00 H new ATOM 256 N LYS A 16 -0.973 -10.469 0.597 1.00 0.00 N ATOM 257 CA LYS A 16 -0.620 -11.878 0.458 1.00 0.00 C ATOM 258 C LYS A 16 0.649 -12.025 -0.376 1.00 0.00 C ATOM 259 O LYS A 16 1.540 -12.805 -0.037 1.00 0.00 O ATOM 260 CB LYS A 16 -1.781 -12.672 -0.157 1.00 0.00 C ATOM 261 CG LYS A 16 -1.796 -12.698 -1.678 1.00 0.00 C ATOM 262 CD LYS A 16 -3.146 -13.150 -2.203 1.00 0.00 C ATOM 263 CE LYS A 16 -3.350 -14.644 -2.010 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.751 -15.055 -2.302 1.00 0.00 N ATOM 0 H LYS A 16 -1.791 -10.178 0.062 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.426 -12.288 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.737 -13.697 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.721 -12.247 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.566 -11.705 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.018 -13.369 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.938 -12.605 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.226 -12.905 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.668 -15.191 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.098 -14.915 -0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.849 -16.080 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.400 -14.553 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.984 -14.819 -3.288 1.00 0.00 H new ATOM 278 N ARG A 17 0.735 -11.254 -1.455 1.00 0.00 N ATOM 279 CA ARG A 17 1.905 -11.282 -2.321 1.00 0.00 C ATOM 280 C ARG A 17 3.124 -10.808 -1.547 1.00 0.00 C ATOM 281 O ARG A 17 4.186 -11.425 -1.598 1.00 0.00 O ATOM 282 CB ARG A 17 1.687 -10.394 -3.546 1.00 0.00 C ATOM 283 CG ARG A 17 0.409 -10.706 -4.307 1.00 0.00 C ATOM 284 CD ARG A 17 0.701 -11.270 -5.687 1.00 0.00 C ATOM 285 NE ARG A 17 -0.188 -10.716 -6.704 1.00 0.00 N ATOM 286 CZ ARG A 17 -0.318 -11.220 -7.930 1.00 0.00 C ATOM 287 NH1 ARG A 17 0.378 -12.288 -8.294 1.00 0.00 N ATOM 288 NH2 ARG A 17 -1.150 -10.652 -8.793 1.00 0.00 N ATOM 0 H ARG A 17 0.008 -10.602 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 17 2.067 -12.305 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.665 -9.351 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.537 -10.504 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.187 -11.421 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.188 -9.799 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.736 -11.056 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.595 -12.355 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.742 -9.895 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.018 -12.729 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.273 -12.669 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.689 -9.831 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.251 -11.036 -9.732 1.00 0.00 H new ATOM 302 N CYS A 18 2.953 -9.715 -0.813 1.00 0.00 N ATOM 303 CA CYS A 18 4.029 -9.167 -0.006 1.00 0.00 C ATOM 304 C CYS A 18 4.406 -10.160 1.085 1.00 0.00 C ATOM 305 O CYS A 18 5.582 -10.440 1.311 1.00 0.00 O ATOM 306 CB CYS A 18 3.605 -7.833 0.610 1.00 0.00 C ATOM 307 SG CYS A 18 4.515 -6.404 -0.013 1.00 0.00 S ATOM 0 H CYS A 18 2.078 -9.193 -0.762 1.00 0.00 H new ATOM 0 HA CYS A 18 4.897 -8.990 -0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.542 -7.682 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.734 -7.888 1.691 1.00 0.00 H new ATOM 0 HG CYS A 18 4.535 -5.473 0.894 1.00 0.00 H new ATOM 313 N GLU A 19 3.393 -10.705 1.747 1.00 0.00 N ATOM 314 CA GLU A 19 3.610 -11.682 2.805 1.00 0.00 C ATOM 315 C GLU A 19 4.474 -12.834 2.305 1.00 0.00 C ATOM 316 O GLU A 19 5.233 -13.430 3.070 1.00 0.00 O ATOM 317 CB GLU A 19 2.271 -12.216 3.318 1.00 0.00 C ATOM 318 CG GLU A 19 1.679 -11.390 4.449 1.00 0.00 C ATOM 319 CD GLU A 19 2.560 -11.371 5.683 1.00 0.00 C ATOM 320 OE1 GLU A 19 3.580 -12.092 5.697 1.00 0.00 O ATOM 321 OE2 GLU A 19 2.230 -10.633 6.635 1.00 0.00 O ATOM 0 H GLU A 19 2.413 -10.486 1.569 1.00 0.00 H new ATOM 0 HA GLU A 19 4.131 -11.187 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.561 -12.247 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.406 -13.242 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.522 -10.368 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.700 -11.791 4.712 1.00 0.00 H new ATOM 328 N GLU A 20 4.353 -13.150 1.017 1.00 0.00 N ATOM 329 CA GLU A 20 5.130 -14.241 0.429 1.00 0.00 C ATOM 330 C GLU A 20 6.447 -13.746 -0.179 1.00 0.00 C ATOM 331 O GLU A 20 7.265 -14.549 -0.628 1.00 0.00 O ATOM 332 CB GLU A 20 4.306 -14.975 -0.632 1.00 0.00 C ATOM 333 CG GLU A 20 3.903 -14.101 -1.807 1.00 0.00 C ATOM 334 CD GLU A 20 3.341 -14.903 -2.963 1.00 0.00 C ATOM 335 OE1 GLU A 20 3.995 -15.882 -3.381 1.00 0.00 O ATOM 336 OE2 GLU A 20 2.246 -14.554 -3.452 1.00 0.00 O ATOM 0 H GLU A 20 3.731 -12.672 0.365 1.00 0.00 H new ATOM 0 HA GLU A 20 5.376 -14.932 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.881 -15.824 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.407 -15.378 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.159 -13.375 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.770 -13.536 -2.149 1.00 0.00 H new ATOM 343 N MET A 21 6.656 -12.430 -0.186 1.00 0.00 N ATOM 344 CA MET A 21 7.884 -11.855 -0.735 1.00 0.00 C ATOM 345 C MET A 21 9.107 -12.366 0.011 1.00 0.00 C ATOM 346 O MET A 21 9.120 -12.423 1.241 1.00 0.00 O ATOM 347 CB MET A 21 7.851 -10.327 -0.654 1.00 0.00 C ATOM 348 CG MET A 21 6.927 -9.672 -1.667 1.00 0.00 C ATOM 349 SD MET A 21 7.643 -9.590 -3.320 1.00 0.00 S ATOM 350 CE MET A 21 8.314 -7.927 -3.332 1.00 0.00 C ATOM 0 H MET A 21 5.995 -11.745 0.180 1.00 0.00 H new ATOM 0 HA MET A 21 7.949 -12.161 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.540 -10.034 0.349 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.861 -9.944 -0.799 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.990 -10.228 -1.709 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.684 -8.664 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.786 -7.327 -4.073 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.190 -7.478 -2.347 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.374 -7.964 -3.583 1.00 0.00 H new ATOM 360 N LYS A 22 10.138 -12.722 -0.742 1.00 0.00 N ATOM 361 CA LYS A 22 11.377 -13.210 -0.156 1.00 0.00 C ATOM 362 C LYS A 22 12.444 -12.118 -0.175 1.00 0.00 C ATOM 363 O LYS A 22 13.615 -12.380 0.101 1.00 0.00 O ATOM 364 CB LYS A 22 11.875 -14.446 -0.907 1.00 0.00 C ATOM 365 CG LYS A 22 11.773 -14.325 -2.420 1.00 0.00 C ATOM 366 CD LYS A 22 12.350 -15.546 -3.117 1.00 0.00 C ATOM 367 CE LYS A 22 11.343 -16.684 -3.166 1.00 0.00 C ATOM 368 NZ LYS A 22 10.600 -16.714 -4.457 1.00 0.00 N ATOM 0 H LYS A 22 10.140 -12.682 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 22 11.180 -13.487 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.914 -14.631 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.301 -15.314 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.729 -14.201 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.303 -13.432 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.651 -15.280 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.248 -15.875 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.860 -17.633 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.636 -16.579 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.924 -17.504 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.086 -15.819 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.271 -16.840 -5.241 1.00 0.00 H new ATOM 382 N TYR A 23 12.034 -10.893 -0.507 1.00 0.00 N ATOM 383 CA TYR A 23 12.966 -9.770 -0.564 1.00 0.00 C ATOM 384 C TYR A 23 12.346 -8.497 0.008 1.00 0.00 C ATOM 385 O TYR A 23 11.130 -8.312 -0.037 1.00 0.00 O ATOM 386 CB TYR A 23 13.420 -9.535 -2.003 1.00 0.00 C ATOM 387 CG TYR A 23 14.728 -10.217 -2.337 1.00 0.00 C ATOM 388 CD1 TYR A 23 15.940 -9.567 -2.142 1.00 0.00 C ATOM 389 CD2 TYR A 23 14.750 -11.511 -2.842 1.00 0.00 C ATOM 390 CE1 TYR A 23 17.138 -10.188 -2.443 1.00 0.00 C ATOM 391 CE2 TYR A 23 15.944 -12.138 -3.144 1.00 0.00 C ATOM 392 CZ TYR A 23 17.134 -11.472 -2.943 1.00 0.00 C ATOM 393 OH TYR A 23 18.325 -12.093 -3.243 1.00 0.00 O ATOM 0 H TYR A 23 11.069 -10.656 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 23 13.831 -10.023 0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.647 -9.893 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.523 -8.463 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.947 -8.561 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.819 -12.035 -3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 23 18.072 -9.669 -2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.945 -13.145 -3.535 1.00 0.00 H new ATOM 0 HH TYR A 23 18.147 -12.994 -3.584 1.00 0.00 H new ATOM 403 N CYS A 24 13.201 -7.622 0.543 1.00 0.00 N ATOM 404 CA CYS A 24 12.764 -6.353 1.130 1.00 0.00 C ATOM 405 C CYS A 24 11.477 -6.525 1.932 1.00 0.00 C ATOM 406 O CYS A 24 10.613 -5.648 1.930 1.00 0.00 O ATOM 407 CB CYS A 24 12.560 -5.310 0.032 1.00 0.00 C ATOM 408 SG CYS A 24 13.971 -5.129 -1.082 1.00 0.00 S ATOM 0 H CYS A 24 14.209 -7.772 0.582 1.00 0.00 H new ATOM 0 HA CYS A 24 13.543 -6.013 1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.681 -5.581 -0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.350 -4.346 0.495 1.00 0.00 H new ATOM 0 HG CYS A 24 14.777 -4.221 -0.618 1.00 0.00 H new ATOM 414 N LYS A 25 11.354 -7.662 2.607 1.00 0.00 N ATOM 415 CA LYS A 25 10.168 -7.957 3.403 1.00 0.00 C ATOM 416 C LYS A 25 9.863 -6.848 4.400 1.00 0.00 C ATOM 417 O LYS A 25 8.702 -6.570 4.684 1.00 0.00 O ATOM 418 CB LYS A 25 10.332 -9.279 4.146 1.00 0.00 C ATOM 419 CG LYS A 25 10.767 -10.432 3.257 1.00 0.00 C ATOM 420 CD LYS A 25 10.705 -11.759 3.996 1.00 0.00 C ATOM 421 CE LYS A 25 11.814 -12.698 3.550 1.00 0.00 C ATOM 422 NZ LYS A 25 11.342 -14.107 3.453 1.00 0.00 N ATOM 0 H LYS A 25 12.062 -8.396 2.619 1.00 0.00 H new ATOM 0 HA LYS A 25 9.330 -8.032 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.065 -9.149 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.386 -9.537 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.127 -10.475 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.784 -10.258 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.785 -11.583 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.737 -12.229 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.195 -12.375 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.644 -12.641 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.102 -14.702 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.081 -14.452 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.513 -14.153 2.827 1.00 0.00 H new ATOM 436 N LYS A 26 10.902 -6.217 4.939 1.00 0.00 N ATOM 437 CA LYS A 26 10.713 -5.139 5.908 1.00 0.00 C ATOM 438 C LYS A 26 9.656 -4.157 5.412 1.00 0.00 C ATOM 439 O LYS A 26 8.579 -4.025 6.000 1.00 0.00 O ATOM 440 CB LYS A 26 12.033 -4.407 6.155 1.00 0.00 C ATOM 441 CG LYS A 26 13.027 -5.206 6.981 1.00 0.00 C ATOM 442 CD LYS A 26 14.439 -4.663 6.831 1.00 0.00 C ATOM 443 CE LYS A 26 15.200 -5.385 5.731 1.00 0.00 C ATOM 444 NZ LYS A 26 14.550 -5.215 4.402 1.00 0.00 N ATOM 0 H LYS A 26 11.876 -6.430 4.725 1.00 0.00 H new ATOM 0 HA LYS A 26 10.373 -5.576 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.487 -4.160 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.827 -3.464 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.735 -5.178 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.003 -6.251 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.398 -3.597 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.973 -4.770 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.221 -5.006 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.264 -6.446 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.240 -5.414 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.750 -5.874 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.205 -4.238 4.306 1.00 0.00 H new ATOM 458 N GLN A 27 9.960 -3.487 4.310 1.00 0.00 N ATOM 459 CA GLN A 27 9.028 -2.537 3.725 1.00 0.00 C ATOM 460 C GLN A 27 7.827 -3.273 3.146 1.00 0.00 C ATOM 461 O GLN A 27 6.682 -2.875 3.354 1.00 0.00 O ATOM 462 CB GLN A 27 9.713 -1.719 2.629 1.00 0.00 C ATOM 463 CG GLN A 27 11.071 -1.175 3.033 1.00 0.00 C ATOM 464 CD GLN A 27 11.687 -0.297 1.962 1.00 0.00 C ATOM 465 OE1 GLN A 27 11.061 0.649 1.484 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.919 -0.608 1.578 1.00 0.00 N ATOM 0 H GLN A 27 10.841 -3.584 3.805 1.00 0.00 H new ATOM 0 HA GLN A 27 8.689 -1.858 4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.830 -2.342 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.066 -0.887 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.970 -0.601 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.743 -2.006 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.400 -1.401 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.384 -0.054 0.859 1.00 0.00 H new ATOM 475 N CYS A 28 8.101 -4.351 2.416 1.00 0.00 N ATOM 476 CA CYS A 28 7.045 -5.144 1.800 1.00 0.00 C ATOM 477 C CYS A 28 5.970 -5.523 2.823 1.00 0.00 C ATOM 478 O CYS A 28 4.801 -5.177 2.657 1.00 0.00 O ATOM 479 CB CYS A 28 7.650 -6.391 1.130 1.00 0.00 C ATOM 480 SG CYS A 28 6.941 -7.976 1.641 1.00 0.00 S ATOM 0 H CYS A 28 9.045 -4.694 2.238 1.00 0.00 H new ATOM 0 HA CYS A 28 6.558 -4.543 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.535 -6.293 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 28 8.720 -6.409 1.336 1.00 0.00 H new ATOM 0 HG CYS A 28 7.342 -8.263 2.844 1.00 0.00 H new ATOM 486 N ARG A 29 6.367 -6.238 3.875 1.00 0.00 N ATOM 487 CA ARG A 29 5.424 -6.658 4.906 1.00 0.00 C ATOM 488 C ARG A 29 4.575 -5.480 5.373 1.00 0.00 C ATOM 489 O ARG A 29 3.388 -5.635 5.662 1.00 0.00 O ATOM 490 CB ARG A 29 6.161 -7.298 6.090 1.00 0.00 C ATOM 491 CG ARG A 29 6.852 -6.304 7.013 1.00 0.00 C ATOM 492 CD ARG A 29 7.212 -6.942 8.344 1.00 0.00 C ATOM 493 NE ARG A 29 7.831 -5.987 9.260 1.00 0.00 N ATOM 494 CZ ARG A 29 8.178 -6.278 10.511 1.00 0.00 C ATOM 495 NH1 ARG A 29 7.970 -7.495 10.999 1.00 0.00 N ATOM 496 NH2 ARG A 29 8.737 -5.351 11.277 1.00 0.00 N ATOM 0 H ARG A 29 7.329 -6.536 4.034 1.00 0.00 H new ATOM 0 HA ARG A 29 4.760 -7.407 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.449 -7.882 6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.905 -7.995 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.755 -5.926 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.199 -5.448 7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.313 -7.354 8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.894 -7.775 8.174 1.00 0.00 H new ATOM 0 HE ARG A 29 8.008 -5.042 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.542 -8.213 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.238 -7.712 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.901 -4.415 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.003 -5.574 12.236 1.00 0.00 H new ATOM 510 N ARG A 30 5.188 -4.301 5.443 1.00 0.00 N ATOM 511 CA ARG A 30 4.475 -3.106 5.873 1.00 0.00 C ATOM 512 C ARG A 30 3.420 -2.689 4.854 1.00 0.00 C ATOM 513 O ARG A 30 2.251 -2.543 5.195 1.00 0.00 O ATOM 514 CB ARG A 30 5.442 -1.950 6.103 1.00 0.00 C ATOM 515 CG ARG A 30 6.426 -2.194 7.237 1.00 0.00 C ATOM 516 CD ARG A 30 6.393 -1.070 8.262 1.00 0.00 C ATOM 517 NE ARG A 30 5.027 -0.701 8.629 1.00 0.00 N ATOM 518 CZ ARG A 30 4.298 -1.354 9.532 1.00 0.00 C ATOM 519 NH1 ARG A 30 4.798 -2.409 10.164 1.00 0.00 N ATOM 520 NH2 ARG A 30 3.066 -0.949 9.805 1.00 0.00 N ATOM 0 H ARG A 30 6.169 -4.150 5.209 1.00 0.00 H new ATOM 0 HA ARG A 30 3.976 -3.350 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.998 -1.765 5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.871 -1.047 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.191 -3.139 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.433 -2.287 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.937 -1.378 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.908 -0.198 7.860 1.00 0.00 H new ATOM 0 HE ARG A 30 4.607 0.105 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.746 -2.724 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.234 -2.904 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.677 -0.138 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.506 -1.448 10.496 1.00 0.00 H new ATOM 534 N LEU A 31 3.837 -2.484 3.604 1.00 0.00 N ATOM 535 CA LEU A 31 2.915 -2.067 2.542 1.00 0.00 C ATOM 536 C LEU A 31 1.606 -2.850 2.604 1.00 0.00 C ATOM 537 O LEU A 31 0.524 -2.264 2.633 1.00 0.00 O ATOM 538 CB LEU A 31 3.561 -2.247 1.166 1.00 0.00 C ATOM 539 CG LEU A 31 2.641 -1.974 -0.029 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.049 -0.572 0.049 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.401 -2.162 -1.333 1.00 0.00 C ATOM 0 H LEU A 31 4.804 -2.599 3.301 1.00 0.00 H new ATOM 0 HA LEU A 31 2.692 -1.011 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.424 -1.584 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.936 -3.268 1.089 1.00 0.00 H new ATOM 0 HG LEU A 31 1.819 -2.689 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.400 -0.403 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.469 -0.472 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.854 0.163 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.736 -1.965 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.243 -1.470 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.770 -3.186 -1.395 1.00 0.00 H new ATOM 553 N GLY A 32 1.712 -4.173 2.631 1.00 0.00 N ATOM 554 CA GLY A 32 0.527 -5.005 2.697 1.00 0.00 C ATOM 555 C GLY A 32 -0.306 -4.717 3.930 1.00 0.00 C ATOM 556 O GLY A 32 -1.523 -4.564 3.842 1.00 0.00 O ATOM 0 H GLY A 32 2.595 -4.683 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.079 -4.843 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.821 -6.055 2.696 1.00 0.00 H new ATOM 560 N HIS A 33 0.354 -4.635 5.081 1.00 0.00 N ATOM 561 CA HIS A 33 -0.335 -4.355 6.333 1.00 0.00 C ATOM 562 C HIS A 33 -0.853 -2.921 6.347 1.00 0.00 C ATOM 563 O HIS A 33 -1.973 -2.661 6.789 1.00 0.00 O ATOM 564 CB HIS A 33 0.598 -4.593 7.523 1.00 0.00 C ATOM 565 CG HIS A 33 0.028 -5.517 8.555 1.00 0.00 C ATOM 566 ND1 HIS A 33 -0.360 -5.097 9.810 1.00 0.00 N ATOM 567 CD2 HIS A 33 -0.220 -6.848 8.513 1.00 0.00 C ATOM 568 CE1 HIS A 33 -0.820 -6.129 10.495 1.00 0.00 C ATOM 569 NE2 HIS A 33 -0.746 -7.203 9.731 1.00 0.00 N ATOM 0 H HIS A 33 1.362 -4.758 5.171 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.185 -5.033 6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.540 -5.004 7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.828 -3.636 7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.038 -7.507 7.677 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.193 -6.099 11.508 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.033 -8.144 10.001 1.00 0.00 H new ATOM 578 N ARG A 34 -0.046 -1.993 5.833 1.00 0.00 N ATOM 579 CA ARG A 34 -0.447 -0.597 5.763 1.00 0.00 C ATOM 580 C ARG A 34 -1.677 -0.494 4.880 1.00 0.00 C ATOM 581 O ARG A 34 -2.702 0.064 5.272 1.00 0.00 O ATOM 582 CB ARG A 34 0.684 0.266 5.192 1.00 0.00 C ATOM 583 CG ARG A 34 1.945 0.278 6.044 1.00 0.00 C ATOM 584 CD ARG A 34 3.169 0.655 5.220 1.00 0.00 C ATOM 585 NE ARG A 34 4.260 1.166 6.049 1.00 0.00 N ATOM 586 CZ ARG A 34 5.540 1.167 5.676 1.00 0.00 C ATOM 587 NH1 ARG A 34 5.894 0.690 4.489 1.00 0.00 N ATOM 588 NH2 ARG A 34 6.468 1.648 6.492 1.00 0.00 N ATOM 0 H ARG A 34 0.884 -2.186 5.462 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.672 -0.233 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.935 -0.096 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.325 1.289 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.825 0.986 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.094 -0.705 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.515 -0.218 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.891 1.409 4.484 1.00 0.00 H new ATOM 0 HE ARG A 34 4.028 1.544 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.185 0.320 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.875 0.694 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.203 2.017 7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.447 1.649 6.207 1.00 0.00 H new ATOM 602 N VAL A 35 -1.566 -1.079 3.693 1.00 0.00 N ATOM 603 CA VAL A 35 -2.668 -1.101 2.742 1.00 0.00 C ATOM 604 C VAL A 35 -3.883 -1.780 3.370 1.00 0.00 C ATOM 605 O VAL A 35 -4.988 -1.239 3.355 1.00 0.00 O ATOM 606 CB VAL A 35 -2.269 -1.846 1.449 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.496 -2.253 0.645 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.336 -0.988 0.609 1.00 0.00 C ATOM 0 H VAL A 35 -0.720 -1.546 3.366 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.916 -0.071 2.485 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.742 -2.757 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.182 -2.775 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.122 -2.912 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.063 -1.363 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.064 -1.527 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.838 -0.058 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.436 -0.763 1.181 1.00 0.00 H new ATOM 618 N LEU A 36 -3.660 -2.966 3.933 1.00 0.00 N ATOM 619 CA LEU A 36 -4.726 -3.722 4.584 1.00 0.00 C ATOM 620 C LEU A 36 -5.466 -2.840 5.580 1.00 0.00 C ATOM 621 O LEU A 36 -6.697 -2.818 5.620 1.00 0.00 O ATOM 622 CB LEU A 36 -4.148 -4.940 5.316 1.00 0.00 C ATOM 623 CG LEU A 36 -3.981 -6.208 4.475 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.666 -7.395 5.370 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.232 -6.483 3.658 1.00 0.00 C ATOM 0 H LEU A 36 -2.749 -3.424 3.951 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.421 -4.062 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.175 -4.667 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.794 -5.171 6.163 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.150 -6.055 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.550 -8.290 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.741 -7.205 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.481 -7.543 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.090 -7.389 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.082 -6.615 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.423 -5.642 2.991 1.00 0.00 H new ATOM 637 N GLY A 37 -4.698 -2.111 6.381 1.00 0.00 N ATOM 638 CA GLY A 37 -5.280 -1.228 7.374 1.00 0.00 C ATOM 639 C GLY A 37 -6.201 -0.194 6.759 1.00 0.00 C ATOM 640 O GLY A 37 -7.133 0.282 7.406 1.00 0.00 O ATOM 0 H GLY A 37 -3.678 -2.116 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.837 -1.820 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.483 -0.722 7.918 1.00 0.00 H new ATOM 644 N LEU A 38 -5.944 0.149 5.501 1.00 0.00 N ATOM 645 CA LEU A 38 -6.763 1.125 4.791 1.00 0.00 C ATOM 646 C LEU A 38 -8.087 0.494 4.393 1.00 0.00 C ATOM 647 O LEU A 38 -9.122 1.158 4.347 1.00 0.00 O ATOM 648 CB LEU A 38 -6.030 1.636 3.551 1.00 0.00 C ATOM 649 CG LEU A 38 -4.615 2.159 3.802 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.855 2.275 2.493 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.655 3.502 4.518 1.00 0.00 C ATOM 0 H LEU A 38 -5.175 -0.235 4.952 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.954 1.970 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.978 0.829 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.621 2.434 3.102 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.095 1.448 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.850 2.648 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.793 1.295 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.376 2.965 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.638 3.855 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.193 4.225 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.163 3.389 5.476 1.00 0.00 H new ATOM 663 N ILE A 39 -8.040 -0.805 4.125 1.00 0.00 N ATOM 664 CA ILE A 39 -9.222 -1.560 3.751 1.00 0.00 C ATOM 665 C ILE A 39 -9.917 -2.089 5.003 1.00 0.00 C ATOM 666 O ILE A 39 -11.066 -2.531 4.953 1.00 0.00 O ATOM 667 CB ILE A 39 -8.862 -2.734 2.798 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.961 -4.089 3.509 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.464 -2.551 2.228 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.482 -5.256 2.668 1.00 0.00 C ATOM 0 H ILE A 39 -7.185 -1.359 4.161 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.899 -0.893 3.218 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.586 -2.725 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.376 -4.051 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.998 -4.263 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.230 -3.383 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.418 -1.616 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.740 -2.523 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.582 -6.180 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.083 -5.322 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.436 -5.106 2.400 1.00 0.00 H new ATOM 682 N LYS A 40 -9.201 -2.044 6.125 1.00 0.00 N ATOM 683 CA LYS A 40 -9.735 -2.524 7.397 1.00 0.00 C ATOM 684 C LYS A 40 -11.049 -1.825 7.760 1.00 0.00 C ATOM 685 O LYS A 40 -12.084 -2.479 7.893 1.00 0.00 O ATOM 686 CB LYS A 40 -8.711 -2.323 8.517 1.00 0.00 C ATOM 687 CG LYS A 40 -7.668 -3.428 8.599 1.00 0.00 C ATOM 688 CD LYS A 40 -8.311 -4.799 8.734 1.00 0.00 C ATOM 689 CE LYS A 40 -7.472 -5.725 9.599 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.932 -5.735 11.015 1.00 0.00 N ATOM 0 H LYS A 40 -8.250 -1.680 6.179 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.940 -3.588 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.205 -1.369 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.236 -2.260 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.043 -3.405 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.013 -3.248 9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.305 -4.695 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.440 -5.240 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.517 -6.737 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.429 -5.412 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.333 -6.379 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.865 -4.775 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.920 -6.058 11.057 1.00 0.00 H new ATOM 704 N PRO A 41 -11.034 -0.489 7.935 1.00 0.00 N ATOM 705 CA PRO A 41 -12.238 0.269 8.293 1.00 0.00 C ATOM 706 C PRO A 41 -13.365 0.074 7.286 1.00 0.00 C ATOM 707 O PRO A 41 -14.535 -0.032 7.660 1.00 0.00 O ATOM 708 CB PRO A 41 -11.772 1.733 8.317 1.00 0.00 C ATOM 709 CG PRO A 41 -10.454 1.748 7.617 1.00 0.00 C ATOM 710 CD PRO A 41 -9.854 0.381 7.808 1.00 0.00 C ATOM 0 HA PRO A 41 -12.650 -0.061 9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.490 2.381 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.676 2.097 9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.580 1.972 6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.804 2.519 8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.231 0.093 6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.224 0.338 8.697 1.00 0.00 H new ATOM 718 N LEU A 42 -13.016 0.016 6.005 1.00 0.00 N ATOM 719 CA LEU A 42 -14.015 -0.180 4.962 1.00 0.00 C ATOM 720 C LEU A 42 -14.785 -1.466 5.210 1.00 0.00 C ATOM 721 O LEU A 42 -15.991 -1.535 4.981 1.00 0.00 O ATOM 722 CB LEU A 42 -13.364 -0.237 3.585 1.00 0.00 C ATOM 723 CG LEU A 42 -12.425 0.917 3.255 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.513 0.525 2.108 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.216 2.171 2.911 1.00 0.00 C ATOM 0 H LEU A 42 -12.058 0.101 5.667 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.700 0.667 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.807 -1.170 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.151 -0.269 2.831 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.814 1.136 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.844 1.353 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.925 -0.348 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.114 0.287 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.527 2.983 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.851 1.975 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.837 2.454 3.761 1.00 0.00 H new ATOM 737 N GLU A 43 -14.079 -2.487 5.687 1.00 0.00 N ATOM 738 CA GLU A 43 -14.701 -3.770 5.973 1.00 0.00 C ATOM 739 C GLU A 43 -15.928 -3.576 6.857 1.00 0.00 C ATOM 740 O GLU A 43 -16.897 -4.328 6.771 1.00 0.00 O ATOM 741 CB GLU A 43 -13.705 -4.712 6.651 1.00 0.00 C ATOM 742 CG GLU A 43 -12.484 -5.021 5.801 1.00 0.00 C ATOM 743 CD GLU A 43 -12.286 -6.508 5.577 1.00 0.00 C ATOM 744 OE1 GLU A 43 -13.291 -7.251 5.606 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.129 -6.930 5.376 1.00 0.00 O ATOM 0 H GLU A 43 -13.079 -2.448 5.882 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.014 -4.219 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.379 -4.267 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.211 -5.645 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.583 -4.523 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.597 -4.609 6.283 1.00 0.00 H new ATOM 752 N MET A 44 -15.883 -2.550 7.699 1.00 0.00 N ATOM 753 CA MET A 44 -16.998 -2.246 8.586 1.00 0.00 C ATOM 754 C MET A 44 -18.067 -1.450 7.842 1.00 0.00 C ATOM 755 O MET A 44 -19.238 -1.465 8.214 1.00 0.00 O ATOM 756 CB MET A 44 -16.512 -1.459 9.804 1.00 0.00 C ATOM 757 CG MET A 44 -15.386 -2.144 10.561 1.00 0.00 C ATOM 758 SD MET A 44 -14.671 -1.094 11.842 1.00 0.00 S ATOM 759 CE MET A 44 -12.970 -1.655 11.827 1.00 0.00 C ATOM 0 H MET A 44 -15.088 -1.916 7.786 1.00 0.00 H new ATOM 0 HA MET A 44 -17.433 -3.186 8.927 1.00 0.00 H new ATOM 0 HB2 MET A 44 -16.174 -0.475 9.479 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.351 -1.300 10.482 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.764 -3.060 11.016 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.606 -2.436 9.858 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.340 -0.920 12.329 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.897 -2.611 12.346 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.636 -1.776 10.797 1.00 0.00 H new ATOM 769 N LEU A 45 -17.648 -0.746 6.791 1.00 0.00 N ATOM 770 CA LEU A 45 -18.563 0.066 5.994 1.00 0.00 C ATOM 771 C LEU A 45 -19.154 -0.720 4.823 1.00 0.00 C ATOM 772 O LEU A 45 -20.373 -0.851 4.704 1.00 0.00 O ATOM 773 CB LEU A 45 -17.838 1.302 5.463 1.00 0.00 C ATOM 774 CG LEU A 45 -17.953 2.548 6.338 1.00 0.00 C ATOM 775 CD1 LEU A 45 -17.117 2.390 7.598 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.524 3.781 5.559 1.00 0.00 C ATOM 0 H LEU A 45 -16.679 -0.723 6.472 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.384 0.366 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.782 1.060 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.229 1.535 4.473 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.995 2.673 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.210 3.287 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.469 1.527 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.072 2.243 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.611 4.662 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.489 3.666 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.164 3.900 4.685 1.00 0.00 H new ATOM 788 N GLN A 46 -18.289 -1.211 3.941 1.00 0.00 N ATOM 789 CA GLN A 46 -18.735 -1.949 2.761 1.00 0.00 C ATOM 790 C GLN A 46 -19.241 -3.351 3.099 1.00 0.00 C ATOM 791 O GLN A 46 -20.239 -3.804 2.537 1.00 0.00 O ATOM 792 CB GLN A 46 -17.600 -2.040 1.738 1.00 0.00 C ATOM 793 CG GLN A 46 -16.447 -2.926 2.180 1.00 0.00 C ATOM 794 CD GLN A 46 -16.623 -4.369 1.749 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.299 -4.655 0.760 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.014 -5.287 2.490 1.00 0.00 N ATOM 0 H GLN A 46 -17.277 -1.112 4.019 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.574 -1.396 2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.000 -2.421 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.221 -1.038 1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.516 -2.538 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.356 -2.883 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.464 -5.005 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.096 -6.274 2.248 1.00 0.00 H new ATOM 805 N ASP A 47 -18.549 -4.047 3.995 1.00 0.00 N ATOM 806 CA ASP A 47 -18.943 -5.406 4.363 1.00 0.00 C ATOM 807 C ASP A 47 -20.176 -5.422 5.267 1.00 0.00 C ATOM 808 O ASP A 47 -21.274 -5.753 4.821 1.00 0.00 O ATOM 809 CB ASP A 47 -17.782 -6.137 5.041 1.00 0.00 C ATOM 810 CG ASP A 47 -17.555 -7.520 4.465 1.00 0.00 C ATOM 811 OD1 ASP A 47 -18.408 -8.403 4.689 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.524 -7.720 3.789 1.00 0.00 O ATOM 0 H ASP A 47 -17.720 -3.699 4.477 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.204 -5.926 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.872 -5.547 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.983 -6.220 6.109 1.00 0.00 H new ATOM 928 N SER A 55 -20.814 8.214 -4.499 1.00 0.00 N ATOM 929 CA SER A 55 -20.805 9.563 -5.052 1.00 0.00 C ATOM 930 C SER A 55 -19.701 9.716 -6.093 1.00 0.00 C ATOM 931 O SER A 55 -19.008 8.754 -6.425 1.00 0.00 O ATOM 932 CB SER A 55 -20.616 10.593 -3.936 1.00 0.00 C ATOM 933 OG SER A 55 -19.948 10.022 -2.824 1.00 0.00 O ATOM 0 HA SER A 55 -21.765 9.736 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.044 11.441 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.587 10.977 -3.623 1.00 0.00 H new ATOM 0 HG SER A 55 -20.016 9.045 -2.868 1.00 0.00 H new ATOM 939 N GLU A 56 -19.544 10.931 -6.608 1.00 0.00 N ATOM 940 CA GLU A 56 -18.524 11.209 -7.613 1.00 0.00 C ATOM 941 C GLU A 56 -17.146 11.333 -6.973 1.00 0.00 C ATOM 942 O GLU A 56 -16.152 10.858 -7.521 1.00 0.00 O ATOM 943 CB GLU A 56 -18.864 12.492 -8.373 1.00 0.00 C ATOM 944 CG GLU A 56 -17.891 12.804 -9.499 1.00 0.00 C ATOM 945 CD GLU A 56 -17.687 14.293 -9.696 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.695 15.019 -9.832 1.00 0.00 O ATOM 947 OE2 GLU A 56 -16.518 14.735 -9.712 1.00 0.00 O ATOM 0 H GLU A 56 -20.110 11.738 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.504 10.374 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.869 12.405 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.877 13.327 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.931 12.334 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.261 12.366 -10.426 1.00 0.00 H new ATOM 954 N LYS A 57 -17.093 11.975 -5.810 1.00 0.00 N ATOM 955 CA LYS A 57 -15.835 12.162 -5.097 1.00 0.00 C ATOM 956 C LYS A 57 -15.384 10.864 -4.437 1.00 0.00 C ATOM 957 O LYS A 57 -14.204 10.518 -4.469 1.00 0.00 O ATOM 958 CB LYS A 57 -15.982 13.259 -4.042 1.00 0.00 C ATOM 959 CG LYS A 57 -15.728 14.658 -4.580 1.00 0.00 C ATOM 960 CD LYS A 57 -14.240 14.945 -4.711 1.00 0.00 C ATOM 961 CE LYS A 57 -13.732 15.790 -3.553 1.00 0.00 C ATOM 962 NZ LYS A 57 -12.621 16.690 -3.969 1.00 0.00 N ATOM 0 H LYS A 57 -17.907 12.374 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.077 12.462 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.988 13.217 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.288 13.061 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.207 14.767 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.184 15.392 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.689 14.005 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.049 15.462 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.551 16.386 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.389 15.137 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.303 17.249 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.829 16.120 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.955 17.330 -4.718 1.00 0.00 H new ATOM 976 N LEU A 58 -16.332 10.147 -3.840 1.00 0.00 N ATOM 977 CA LEU A 58 -16.026 8.886 -3.175 1.00 0.00 C ATOM 978 C LEU A 58 -15.447 7.879 -4.161 1.00 0.00 C ATOM 979 O LEU A 58 -14.380 7.311 -3.928 1.00 0.00 O ATOM 980 CB LEU A 58 -17.284 8.312 -2.519 1.00 0.00 C ATOM 981 CG LEU A 58 -17.109 6.935 -1.873 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.891 6.922 -0.962 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.361 6.550 -1.098 1.00 0.00 C ATOM 0 H LEU A 58 -17.315 10.417 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.281 9.082 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.630 9.012 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.070 8.246 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.952 6.201 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.784 5.935 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.999 7.155 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.016 7.667 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.221 5.569 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.547 7.287 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.213 6.518 -1.777 1.00 0.00 H new ATOM 995 N THR A 59 -16.156 7.665 -5.265 1.00 0.00 N ATOM 996 CA THR A 59 -15.708 6.728 -6.288 1.00 0.00 C ATOM 997 C THR A 59 -14.329 7.121 -6.811 1.00 0.00 C ATOM 998 O THR A 59 -13.485 6.264 -7.066 1.00 0.00 O ATOM 999 CB THR A 59 -16.717 6.674 -7.440 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.498 5.530 -8.246 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.665 7.888 -8.345 1.00 0.00 C ATOM 0 H THR A 59 -17.041 8.127 -5.473 1.00 0.00 H new ATOM 0 HA THR A 59 -15.637 5.738 -5.838 1.00 0.00 H new ATOM 0 HB THR A 59 -17.696 6.641 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.153 5.513 -8.975 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.405 7.783 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.881 8.785 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.671 7.971 -8.785 1.00 0.00 H new ATOM 1009 N THR A 60 -14.108 8.425 -6.967 1.00 0.00 N ATOM 1010 CA THR A 60 -12.829 8.928 -7.454 1.00 0.00 C ATOM 1011 C THR A 60 -11.711 8.566 -6.481 1.00 0.00 C ATOM 1012 O THR A 60 -10.585 8.278 -6.890 1.00 0.00 O ATOM 1013 CB THR A 60 -12.903 10.446 -7.674 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.354 10.794 -8.933 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.178 11.262 -6.623 1.00 0.00 C ATOM 0 H THR A 60 -14.797 9.149 -6.763 1.00 0.00 H new ATOM 0 HA THR A 60 -12.606 8.458 -8.412 1.00 0.00 H new ATOM 0 HB THR A 60 -13.965 10.683 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.411 11.764 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.279 12.323 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.610 11.060 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.122 10.991 -6.617 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.038 8.561 -5.193 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.069 8.211 -4.165 1.00 0.00 C ATOM 1025 C ALA A 61 -10.783 6.723 -4.229 1.00 0.00 C ATOM 1026 O ALA A 61 -9.635 6.301 -4.374 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.582 8.593 -2.787 1.00 0.00 C ATOM 0 H ALA A 61 -12.965 8.795 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.147 8.764 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.841 8.322 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.760 9.668 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.513 8.064 -2.586 1.00 0.00 H new ATOM 1033 N MET A 62 -11.847 5.932 -4.153 1.00 0.00 N ATOM 1034 CA MET A 62 -11.728 4.491 -4.237 1.00 0.00 C ATOM 1035 C MET A 62 -11.108 4.119 -5.575 1.00 0.00 C ATOM 1036 O MET A 62 -10.378 3.135 -5.684 1.00 0.00 O ATOM 1037 CB MET A 62 -13.100 3.843 -4.079 1.00 0.00 C ATOM 1038 CG MET A 62 -13.827 4.267 -2.812 1.00 0.00 C ATOM 1039 SD MET A 62 -15.581 3.855 -2.843 1.00 0.00 S ATOM 1040 CE MET A 62 -15.532 2.269 -3.669 1.00 0.00 C ATOM 0 H MET A 62 -12.802 6.270 -4.033 1.00 0.00 H new ATOM 0 HA MET A 62 -11.087 4.127 -3.434 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.714 4.096 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.983 2.759 -4.077 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.360 3.786 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.713 5.342 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.339 1.639 -3.295 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.652 2.414 -4.743 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.575 1.786 -3.473 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.376 4.943 -6.590 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.809 4.719 -7.911 1.00 0.00 C ATOM 1052 C ASN A 63 -9.304 4.891 -7.823 1.00 0.00 C ATOM 1053 O ASN A 63 -8.538 4.017 -8.228 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.395 5.698 -8.931 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.724 5.231 -9.492 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.906 4.051 -9.787 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.661 6.160 -9.642 1.00 0.00 N ATOM 0 H ASN A 63 -11.978 5.764 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.053 3.710 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.526 6.672 -8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.687 5.832 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.576 5.906 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.466 7.127 -9.384 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.892 6.012 -7.239 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.481 6.287 -7.033 1.00 0.00 C ATOM 1066 C ARG A 64 -6.905 5.214 -6.122 1.00 0.00 C ATOM 1067 O ARG A 64 -5.741 4.840 -6.232 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.294 7.665 -6.394 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.811 8.730 -7.360 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.921 9.708 -7.713 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.471 10.734 -8.651 1.00 0.00 N ATOM 1072 CZ ARG A 64 -6.637 11.721 -8.327 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -6.161 11.818 -7.091 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -6.279 12.612 -9.241 1.00 0.00 N ATOM 0 H ARG A 64 -9.518 6.743 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.964 6.281 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.241 7.985 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.580 7.581 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.975 9.271 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.439 8.257 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.759 9.163 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.287 10.184 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.816 10.692 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.434 11.135 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.523 12.576 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.642 12.542 -10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.640 13.368 -8.994 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.757 4.727 -5.222 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.387 3.690 -4.272 1.00 0.00 C ATOM 1090 C PHE A 65 -7.105 2.382 -4.995 1.00 0.00 C ATOM 1091 O PHE A 65 -5.987 1.868 -4.967 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.531 3.503 -3.279 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.147 2.876 -1.971 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.827 2.831 -1.539 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.128 2.338 -1.163 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.504 2.256 -0.325 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.815 1.766 0.049 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.500 1.721 0.471 1.00 0.00 C ATOM 0 H PHE A 65 -8.723 5.043 -5.134 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.482 3.988 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.980 4.476 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.300 2.888 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.047 3.249 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.158 2.366 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.475 2.224 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.596 1.353 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.251 1.269 1.420 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.131 1.856 -5.652 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.012 0.614 -6.398 1.00 0.00 C ATOM 1110 C LYS A 66 -6.854 0.699 -7.392 1.00 0.00 C ATOM 1111 O LYS A 66 -6.129 -0.274 -7.603 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.351 0.320 -7.092 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.245 -0.362 -8.440 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.360 0.639 -9.581 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.073 0.726 -10.386 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.310 0.486 -11.836 1.00 0.00 N ATOM 0 H LYS A 66 -9.060 2.275 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.787 -0.211 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.953 -0.305 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.889 1.259 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.292 -0.887 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.030 -1.113 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.181 0.350 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.605 1.622 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.625 1.710 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.358 -0.005 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.409 0.554 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.714 -0.463 -11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.972 1.199 -12.202 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.670 1.876 -7.979 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.584 2.091 -8.924 1.00 0.00 C ATOM 1132 C ALA A 67 -4.256 2.210 -8.184 1.00 0.00 C ATOM 1133 O ALA A 67 -3.273 1.552 -8.531 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.842 3.335 -9.763 1.00 0.00 C ATOM 0 H ALA A 67 -7.258 2.693 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.533 1.233 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.019 3.479 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.773 3.214 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.919 4.205 -9.110 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.241 3.039 -7.142 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.041 3.228 -6.337 1.00 0.00 C ATOM 1142 C ALA A 68 -2.519 1.881 -5.861 1.00 0.00 C ATOM 1143 O ALA A 68 -1.313 1.679 -5.721 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.331 4.141 -5.152 1.00 0.00 C ATOM 0 H ALA A 68 -5.045 3.588 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.276 3.703 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.424 4.271 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.670 5.111 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.107 3.695 -4.530 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.445 0.955 -5.634 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.094 -0.385 -5.198 1.00 0.00 C ATOM 1152 C LEU A 69 -2.282 -1.084 -6.271 1.00 0.00 C ATOM 1153 O LEU A 69 -1.217 -1.634 -5.996 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.353 -1.189 -4.893 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.932 -0.950 -3.506 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.412 -1.295 -3.479 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.166 -1.755 -2.471 1.00 0.00 C ATOM 0 H LEU A 69 -4.447 1.112 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.496 -0.311 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.112 -0.948 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.127 -2.250 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.829 0.107 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.809 -1.118 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.944 -0.671 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.546 -2.344 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.590 -1.575 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.238 -2.816 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.119 -1.452 -2.477 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.786 -1.045 -7.504 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.090 -1.661 -8.626 1.00 0.00 C ATOM 1171 C GLU A 70 -0.618 -1.281 -8.587 1.00 0.00 C ATOM 1172 O GLU A 70 0.249 -2.069 -8.963 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.716 -1.229 -9.954 1.00 0.00 C ATOM 1174 CG GLU A 70 -3.936 -2.046 -10.346 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.189 -2.036 -11.841 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -3.205 -2.049 -12.610 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.371 -2.014 -12.243 1.00 0.00 O ATOM 0 H GLU A 70 -3.669 -0.595 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.182 -2.744 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.999 -0.178 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.967 -1.309 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.803 -3.075 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.812 -1.654 -9.830 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.344 -0.075 -8.095 1.00 0.00 N ATOM 1185 CA GLU A 71 1.027 0.393 -7.968 1.00 0.00 C ATOM 1186 C GLU A 71 1.773 -0.504 -6.986 1.00 0.00 C ATOM 1187 O GLU A 71 2.768 -1.137 -7.340 1.00 0.00 O ATOM 1188 CB GLU A 71 1.061 1.844 -7.494 1.00 0.00 C ATOM 1189 CG GLU A 71 2.404 2.517 -7.712 1.00 0.00 C ATOM 1190 CD GLU A 71 2.592 2.997 -9.138 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.644 3.592 -9.693 1.00 0.00 O ATOM 1192 OE2 GLU A 71 3.685 2.778 -9.699 1.00 0.00 O ATOM 0 H GLU A 71 -1.051 0.590 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 71 1.512 0.348 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.290 2.408 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.814 1.878 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.496 3.364 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.201 1.818 -7.460 1.00 0.00 H new ATOM 1199 N ALA A 72 1.264 -0.578 -5.756 1.00 0.00 N ATOM 1200 CA ALA A 72 1.862 -1.426 -4.735 1.00 0.00 C ATOM 1201 C ALA A 72 1.860 -2.874 -5.206 1.00 0.00 C ATOM 1202 O ALA A 72 2.885 -3.554 -5.167 1.00 0.00 O ATOM 1203 CB ALA A 72 1.105 -1.290 -3.421 1.00 0.00 C ATOM 0 H ALA A 72 0.441 -0.061 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 72 2.892 -1.110 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.565 -1.930 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.141 -0.253 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.067 -1.589 -3.567 1.00 0.00 H new ATOM 1209 N ASN A 73 0.700 -3.331 -5.671 1.00 0.00 N ATOM 1210 CA ASN A 73 0.555 -4.690 -6.173 1.00 0.00 C ATOM 1211 C ASN A 73 1.588 -4.966 -7.259 1.00 0.00 C ATOM 1212 O ASN A 73 2.248 -6.005 -7.257 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.853 -4.894 -6.735 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.074 -6.303 -7.249 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -1.011 -6.554 -8.453 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.337 -7.230 -6.338 1.00 0.00 N ATOM 0 H ASN A 73 -0.155 -2.776 -5.710 1.00 0.00 H new ATOM 0 HA ASN A 73 0.715 -5.384 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.586 -4.675 -5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.024 -4.184 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.497 -8.196 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.380 -6.977 -5.351 1.00 0.00 H new ATOM 1223 N GLY A 74 1.725 -4.018 -8.180 1.00 0.00 N ATOM 1224 CA GLY A 74 2.685 -4.162 -9.256 1.00 0.00 C ATOM 1225 C GLY A 74 4.108 -4.055 -8.755 1.00 0.00 C ATOM 1226 O GLY A 74 4.993 -4.778 -9.211 1.00 0.00 O ATOM 0 H GLY A 74 1.187 -3.152 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.543 -5.126 -9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.506 -3.394 -10.009 1.00 0.00 H new ATOM 1230 N GLU A 75 4.323 -3.154 -7.802 1.00 0.00 N ATOM 1231 CA GLU A 75 5.644 -2.959 -7.223 1.00 0.00 C ATOM 1232 C GLU A 75 6.059 -4.200 -6.443 1.00 0.00 C ATOM 1233 O GLU A 75 7.221 -4.604 -6.466 1.00 0.00 O ATOM 1234 CB GLU A 75 5.650 -1.724 -6.314 1.00 0.00 C ATOM 1235 CG GLU A 75 5.687 -0.411 -7.075 1.00 0.00 C ATOM 1236 CD GLU A 75 7.080 -0.055 -7.557 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.913 -0.975 -7.701 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.339 1.144 -7.792 1.00 0.00 O ATOM 0 H GLU A 75 3.599 -2.548 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 75 6.362 -2.796 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.762 -1.744 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.514 -1.775 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.015 -0.473 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.314 0.387 -6.433 1.00 0.00 H new ATOM 1245 N ILE A 76 5.091 -4.809 -5.766 1.00 0.00 N ATOM 1246 CA ILE A 76 5.333 -6.015 -4.988 1.00 0.00 C ATOM 1247 C ILE A 76 5.516 -7.216 -5.910 1.00 0.00 C ATOM 1248 O ILE A 76 6.351 -8.086 -5.661 1.00 0.00 O ATOM 1249 CB ILE A 76 4.165 -6.285 -4.017 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.053 -5.143 -3.011 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.348 -7.616 -3.296 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.732 -5.120 -2.272 1.00 0.00 C ATOM 0 H ILE A 76 4.125 -4.483 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 76 6.244 -5.863 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 76 3.242 -6.343 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.864 -5.225 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.186 -4.195 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.511 -7.781 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.387 -8.423 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.277 -7.597 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.720 -4.283 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.917 -5.007 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.606 -6.053 -1.723 1.00 0.00 H new ATOM 1264 N GLU A 77 4.730 -7.250 -6.981 1.00 0.00 N ATOM 1265 CA GLU A 77 4.802 -8.334 -7.950 1.00 0.00 C ATOM 1266 C GLU A 77 6.052 -8.199 -8.813 1.00 0.00 C ATOM 1267 O GLU A 77 6.683 -9.194 -9.170 1.00 0.00 O ATOM 1268 CB GLU A 77 3.550 -8.339 -8.832 1.00 0.00 C ATOM 1269 CG GLU A 77 3.605 -9.350 -9.964 1.00 0.00 C ATOM 1270 CD GLU A 77 2.438 -9.219 -10.923 1.00 0.00 C ATOM 1271 OE1 GLU A 77 2.545 -8.428 -11.883 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.416 -9.907 -10.713 1.00 0.00 O ATOM 0 H GLU A 77 4.034 -6.536 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 77 4.856 -9.278 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.679 -8.549 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.408 -7.343 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.538 -9.223 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.615 -10.357 -9.546 1.00 0.00 H new ATOM 1279 N LYS A 78 6.405 -6.961 -9.140 1.00 0.00 N ATOM 1280 CA LYS A 78 7.581 -6.691 -9.959 1.00 0.00 C ATOM 1281 C LYS A 78 8.864 -6.842 -9.144 1.00 0.00 C ATOM 1282 O LYS A 78 9.949 -7.000 -9.704 1.00 0.00 O ATOM 1283 CB LYS A 78 7.502 -5.282 -10.549 1.00 0.00 C ATOM 1284 CG LYS A 78 8.534 -5.018 -11.635 1.00 0.00 C ATOM 1285 CD LYS A 78 9.084 -3.603 -11.549 1.00 0.00 C ATOM 1286 CE LYS A 78 9.791 -3.359 -10.227 1.00 0.00 C ATOM 1287 NZ LYS A 78 10.727 -2.203 -10.301 1.00 0.00 N ATOM 0 H LYS A 78 5.893 -6.128 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 78 7.602 -7.419 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.505 -5.125 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.635 -4.554 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.351 -5.733 -11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.082 -5.175 -12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.779 -3.431 -12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.270 -2.888 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.051 -3.177 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.342 -4.254 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.287 -2.153 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.365 -2.324 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.184 -1.323 -10.415 1.00 0.00 H new ATOM 1301 N PHE A 79 8.737 -6.792 -7.820 1.00 0.00 N ATOM 1302 CA PHE A 79 9.890 -6.922 -6.936 1.00 0.00 C ATOM 1303 C PHE A 79 10.040 -8.350 -6.416 1.00 0.00 C ATOM 1304 O PHE A 79 11.054 -8.691 -5.809 1.00 0.00 O ATOM 1305 CB PHE A 79 9.766 -5.956 -5.757 1.00 0.00 C ATOM 1306 CG PHE A 79 10.283 -4.576 -6.050 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.481 -4.397 -6.725 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.572 -3.458 -5.649 1.00 0.00 C ATOM 1309 CE1 PHE A 79 11.958 -3.127 -6.994 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.044 -2.187 -5.914 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.238 -2.022 -6.587 1.00 0.00 C ATOM 0 H PHE A 79 7.848 -6.663 -7.337 1.00 0.00 H new ATOM 0 HA PHE A 79 10.779 -6.676 -7.517 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.718 -5.887 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.309 -6.365 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.048 -5.259 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.637 -3.581 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.892 -3.000 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.479 -1.323 -5.595 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.608 -1.029 -6.795 1.00 0.00 H new ATOM 1321 N SER A 80 9.029 -9.181 -6.650 1.00 0.00 N ATOM 1322 CA SER A 80 9.066 -10.565 -6.194 1.00 0.00 C ATOM 1323 C SER A 80 10.286 -11.291 -6.750 1.00 0.00 C ATOM 1324 O SER A 80 10.854 -12.163 -6.093 1.00 0.00 O ATOM 1325 CB SER A 80 7.788 -11.297 -6.606 1.00 0.00 C ATOM 1326 OG SER A 80 6.639 -10.652 -6.083 1.00 0.00 O ATOM 0 H SER A 80 8.179 -8.921 -7.150 1.00 0.00 H new ATOM 0 HA SER A 80 9.136 -10.559 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.723 -11.337 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.824 -12.327 -6.250 1.00 0.00 H new ATOM 0 HG SER A 80 6.900 -9.800 -5.674 1.00 0.00 H new ATOM 1332 N ASN A 81 10.689 -10.920 -7.960 1.00 0.00 N ATOM 1333 CA ASN A 81 11.847 -11.533 -8.596 1.00 0.00 C ATOM 1334 C ASN A 81 13.138 -10.959 -8.021 1.00 0.00 C ATOM 1335 O ASN A 81 13.461 -9.792 -8.242 1.00 0.00 O ATOM 1336 CB ASN A 81 11.801 -11.312 -10.110 1.00 0.00 C ATOM 1337 CG ASN A 81 11.975 -12.603 -10.888 1.00 0.00 C ATOM 1338 OD1 ASN A 81 11.295 -12.834 -11.888 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.887 -13.452 -10.430 1.00 0.00 N ATOM 0 H ASN A 81 10.232 -10.199 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 81 11.823 -12.604 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.849 -10.854 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.584 -10.610 -10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.047 -14.337 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.428 -13.219 -9.597 1.00 0.00 H new ATOM 1346 N ARG A 82 13.871 -11.786 -7.278 1.00 0.00 N ATOM 1347 CA ARG A 82 15.126 -11.357 -6.668 1.00 0.00 C ATOM 1348 C ARG A 82 16.008 -10.636 -7.682 1.00 0.00 C ATOM 1349 O ARG A 82 16.739 -9.708 -7.335 1.00 0.00 O ATOM 1350 CB ARG A 82 15.874 -12.562 -6.094 1.00 0.00 C ATOM 1351 CG ARG A 82 16.323 -13.561 -7.148 1.00 0.00 C ATOM 1352 CD ARG A 82 17.334 -14.550 -6.590 1.00 0.00 C ATOM 1353 NE ARG A 82 16.875 -15.931 -6.717 1.00 0.00 N ATOM 1354 CZ ARG A 82 16.005 -16.503 -5.888 1.00 0.00 C ATOM 1355 NH1 ARG A 82 15.497 -15.818 -4.872 1.00 0.00 N ATOM 1356 NH2 ARG A 82 15.640 -17.764 -6.077 1.00 0.00 N ATOM 0 H ARG A 82 13.617 -12.755 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 82 14.889 -10.663 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.747 -12.209 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.230 -13.070 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.457 -14.102 -7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.762 -13.028 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.283 -14.433 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.520 -14.325 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 82 17.243 -16.490 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.773 -14.847 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.831 -16.262 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.026 -18.295 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.973 -18.203 -5.442 1.00 0.00 H new ATOM 1370 N SER A 83 15.927 -11.065 -8.937 1.00 0.00 N ATOM 1371 CA SER A 83 16.710 -10.458 -10.004 1.00 0.00 C ATOM 1372 C SER A 83 16.415 -8.966 -10.110 1.00 0.00 C ATOM 1373 O SER A 83 17.262 -8.182 -10.537 1.00 0.00 O ATOM 1374 CB SER A 83 16.408 -11.141 -11.337 1.00 0.00 C ATOM 1375 OG SER A 83 17.324 -10.735 -12.339 1.00 0.00 O ATOM 0 H SER A 83 15.326 -11.832 -9.239 1.00 0.00 H new ATOM 0 HA SER A 83 17.766 -10.588 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.456 -12.223 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.392 -10.900 -11.650 1.00 0.00 H new ATOM 0 HG SER A 83 17.109 -11.188 -13.181 1.00 0.00 H new ATOM 1381 N ASN A 84 15.204 -8.581 -9.715 1.00 0.00 N ATOM 1382 CA ASN A 84 14.794 -7.185 -9.763 1.00 0.00 C ATOM 1383 C ASN A 84 15.190 -6.457 -8.482 1.00 0.00 C ATOM 1384 O ASN A 84 15.674 -5.328 -8.527 1.00 0.00 O ATOM 1385 CB ASN A 84 13.281 -7.083 -9.981 1.00 0.00 C ATOM 1386 CG ASN A 84 12.925 -6.166 -11.136 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.771 -5.838 -11.967 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.666 -5.748 -11.193 1.00 0.00 N ATOM 0 H ASN A 84 14.491 -9.218 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 84 15.305 -6.709 -10.600 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.876 -8.077 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.809 -6.716 -9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.368 -5.130 -11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.997 -6.045 -10.482 1.00 0.00 H new ATOM 1395 N ILE A 85 14.983 -7.110 -7.342 1.00 0.00 N ATOM 1396 CA ILE A 85 15.322 -6.515 -6.051 1.00 0.00 C ATOM 1397 C ILE A 85 16.812 -6.199 -5.974 1.00 0.00 C ATOM 1398 O ILE A 85 17.208 -5.036 -5.907 1.00 0.00 O ATOM 1399 CB ILE A 85 14.943 -7.450 -4.880 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.420 -7.609 -4.798 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.512 -6.929 -3.564 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.700 -6.450 -4.131 1.00 0.00 C ATOM 0 H ILE A 85 14.584 -8.047 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 85 14.749 -5.592 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 85 15.380 -8.431 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.026 -7.733 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.192 -8.524 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.232 -7.603 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.599 -6.876 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.112 -5.935 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.628 -6.647 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.062 -6.337 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.893 -5.533 -4.688 1.00 0.00 H new ATOM 1414 N CYS A 86 17.633 -7.245 -5.984 1.00 0.00 N ATOM 1415 CA CYS A 86 19.083 -7.084 -5.914 1.00 0.00 C ATOM 1416 C CYS A 86 19.572 -6.080 -6.953 1.00 0.00 C ATOM 1417 O CYS A 86 20.600 -5.428 -6.765 1.00 0.00 O ATOM 1418 CB CYS A 86 19.778 -8.432 -6.116 1.00 0.00 C ATOM 1419 SG CYS A 86 21.583 -8.351 -6.056 1.00 0.00 S ATOM 0 H CYS A 86 17.319 -8.214 -6.040 1.00 0.00 H new ATOM 0 HA CYS A 86 19.333 -6.701 -4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.431 -9.126 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 86 19.476 -8.843 -7.079 1.00 0.00 H new ATOM 0 HG CYS A 86 21.972 -7.138 -6.318 1.00 0.00 H new ATOM 1425 N ARG A 87 18.827 -5.955 -8.046 1.00 0.00 N ATOM 1426 CA ARG A 87 19.183 -5.027 -9.111 1.00 0.00 C ATOM 1427 C ARG A 87 18.698 -3.619 -8.783 1.00 0.00 C ATOM 1428 O ARG A 87 19.406 -2.640 -9.013 1.00 0.00 O ATOM 1429 CB ARG A 87 18.584 -5.487 -10.440 1.00 0.00 C ATOM 1430 CG ARG A 87 19.500 -6.401 -11.237 1.00 0.00 C ATOM 1431 CD ARG A 87 19.233 -6.291 -12.729 1.00 0.00 C ATOM 1432 NE ARG A 87 20.464 -6.359 -13.513 1.00 0.00 N ATOM 1433 CZ ARG A 87 20.546 -6.016 -14.796 1.00 0.00 C ATOM 1434 NH1 ARG A 87 19.472 -5.582 -15.445 1.00 0.00 N ATOM 1435 NH2 ARG A 87 21.705 -6.109 -15.434 1.00 0.00 N ATOM 0 H ARG A 87 17.973 -6.485 -8.217 1.00 0.00 H new ATOM 0 HA ARG A 87 20.269 -5.010 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.646 -6.007 -10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.344 -4.611 -11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.540 -6.145 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.356 -7.433 -10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 87 18.562 -7.093 -13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.722 -5.351 -12.937 1.00 0.00 H new ATOM 0 HE ARG A 87 21.311 -6.689 -13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.578 -5.510 -14.960 1.00 0.00 H new ATOM 0 HH12 ARG A 87 19.541 -5.321 -16.428 1.00 0.00 H new ATOM 0 HH21 ARG A 87 22.533 -6.443 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.768 -5.846 -16.418 1.00 0.00 H new ATOM 1449 N PHE A 88 17.486 -3.526 -8.246 1.00 0.00 N ATOM 1450 CA PHE A 88 16.908 -2.237 -7.889 1.00 0.00 C ATOM 1451 C PHE A 88 17.678 -1.597 -6.734 1.00 0.00 C ATOM 1452 O PHE A 88 17.764 -0.375 -6.640 1.00 0.00 O ATOM 1453 CB PHE A 88 15.419 -2.399 -7.530 1.00 0.00 C ATOM 1454 CG PHE A 88 15.050 -1.864 -6.173 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.099 -0.503 -5.914 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.671 -2.722 -5.154 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.779 -0.009 -4.667 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.348 -2.236 -3.911 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.404 -0.876 -3.662 1.00 0.00 C ATOM 0 H PHE A 88 16.886 -4.327 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 88 16.985 -1.575 -8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.818 -1.891 -8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.159 -3.457 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.391 0.179 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.629 -3.785 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.822 1.053 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.050 -2.916 -3.127 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.155 -0.494 -2.683 1.00 0.00 H new ATOM 1469 N LEU A 89 18.225 -2.427 -5.849 1.00 0.00 N ATOM 1470 CA LEU A 89 18.972 -1.921 -4.702 1.00 0.00 C ATOM 1471 C LEU A 89 20.263 -1.243 -5.149 1.00 0.00 C ATOM 1472 O LEU A 89 20.442 -0.041 -4.953 1.00 0.00 O ATOM 1473 CB LEU A 89 19.294 -3.054 -3.720 1.00 0.00 C ATOM 1474 CG LEU A 89 18.088 -3.804 -3.132 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.498 -4.542 -1.870 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.934 -2.856 -2.833 1.00 0.00 C ATOM 0 H LEU A 89 18.166 -3.444 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 89 18.346 -1.184 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.933 -3.777 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.875 -2.639 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 89 17.746 -4.524 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.637 -5.070 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.284 -5.259 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.868 -3.828 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.098 -3.420 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.258 -2.105 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.619 -2.364 -3.753 1.00 0.00 H new ATOM 1488 N THR A 90 21.159 -2.018 -5.752 1.00 0.00 N ATOM 1489 CA THR A 90 22.430 -1.486 -6.226 1.00 0.00 C ATOM 1490 C THR A 90 22.202 -0.394 -7.266 1.00 0.00 C ATOM 1491 O THR A 90 22.794 0.683 -7.193 1.00 0.00 O ATOM 1492 CB THR A 90 23.284 -2.607 -6.824 1.00 0.00 C ATOM 1493 OG1 THR A 90 23.558 -3.601 -5.852 1.00 0.00 O ATOM 1494 CG2 THR A 90 24.611 -2.125 -7.372 1.00 0.00 C ATOM 0 H THR A 90 21.028 -3.015 -5.923 1.00 0.00 H new ATOM 0 HA THR A 90 22.957 -1.052 -5.376 1.00 0.00 H new ATOM 0 HB THR A 90 22.694 -3.009 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.103 -4.310 -6.253 1.00 0.00 H new ATOM 0 HG21 THR A 90 25.165 -2.970 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 90 24.435 -1.392 -8.160 1.00 0.00 H new ATOM 0 HG23 THR A 90 25.190 -1.665 -6.571 1.00 0.00 H new ATOM 1502 N ALA A 91 21.334 -0.682 -8.228 1.00 0.00 N ATOM 1503 CA ALA A 91 21.016 0.270 -9.285 1.00 0.00 C ATOM 1504 C ALA A 91 20.223 1.452 -8.739 1.00 0.00 C ATOM 1505 O ALA A 91 20.311 2.565 -9.257 1.00 0.00 O ATOM 1506 CB ALA A 91 20.232 -0.421 -10.389 1.00 0.00 C ATOM 0 H ALA A 91 20.837 -1.570 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 91 21.952 0.650 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.999 0.298 -11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.828 -1.233 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.306 -0.824 -9.980 1.00 0.00 H new ATOM 1512 N SER A 92 19.444 1.199 -7.692 1.00 0.00 N ATOM 1513 CA SER A 92 18.627 2.238 -7.076 1.00 0.00 C ATOM 1514 C SER A 92 17.572 2.743 -8.055 1.00 0.00 C ATOM 1515 O SER A 92 17.630 3.886 -8.510 1.00 0.00 O ATOM 1516 CB SER A 92 19.505 3.398 -6.603 1.00 0.00 C ATOM 1517 OG SER A 92 19.845 3.256 -5.234 1.00 0.00 O ATOM 0 H SER A 92 19.361 0.282 -7.252 1.00 0.00 H new ATOM 0 HA SER A 92 18.121 1.807 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.413 3.439 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.980 4.341 -6.754 1.00 0.00 H new ATOM 0 HG SER A 92 20.408 4.009 -4.957 1.00 0.00 H new ATOM 1523 N GLN A 93 16.610 1.882 -8.380 1.00 0.00 N ATOM 1524 CA GLN A 93 15.543 2.244 -9.309 1.00 0.00 C ATOM 1525 C GLN A 93 14.853 3.531 -8.875 1.00 0.00 C ATOM 1526 O GLN A 93 14.739 4.477 -9.654 1.00 0.00 O ATOM 1527 CB GLN A 93 14.519 1.111 -9.408 1.00 0.00 C ATOM 1528 CG GLN A 93 13.432 1.362 -10.440 1.00 0.00 C ATOM 1529 CD GLN A 93 13.416 0.317 -11.538 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.400 -0.391 -11.751 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.294 0.215 -12.242 1.00 0.00 N ATOM 0 H GLN A 93 16.548 0.932 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 93 15.991 2.408 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.037 0.185 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.055 0.965 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.462 1.377 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.578 2.347 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.502 0.823 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.224 -0.471 -12.994 1.00 0.00 H new ATOM 1540 N ASP A 94 14.398 3.566 -7.626 1.00 0.00 N ATOM 1541 CA ASP A 94 13.727 4.744 -7.097 1.00 0.00 C ATOM 1542 C ASP A 94 14.197 5.055 -5.677 1.00 0.00 C ATOM 1543 O ASP A 94 13.615 5.901 -4.999 1.00 0.00 O ATOM 1544 CB ASP A 94 12.215 4.525 -7.107 1.00 0.00 C ATOM 1545 CG ASP A 94 11.550 5.137 -8.324 1.00 0.00 C ATOM 1546 OD1 ASP A 94 12.079 4.961 -9.442 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.499 5.791 -8.159 1.00 0.00 O ATOM 0 H ASP A 94 14.482 2.794 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 94 13.978 5.594 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.005 3.456 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.782 4.957 -6.204 1.00 0.00 H new ATOM 1552 N LYS A 95 15.242 4.355 -5.224 1.00 0.00 N ATOM 1553 CA LYS A 95 15.779 4.542 -3.879 1.00 0.00 C ATOM 1554 C LYS A 95 14.949 3.774 -2.853 1.00 0.00 C ATOM 1555 O LYS A 95 15.411 3.510 -1.744 1.00 0.00 O ATOM 1556 CB LYS A 95 15.834 6.029 -3.509 1.00 0.00 C ATOM 1557 CG LYS A 95 17.165 6.460 -2.913 1.00 0.00 C ATOM 1558 CD LYS A 95 16.970 7.349 -1.694 1.00 0.00 C ATOM 1559 CE LYS A 95 17.933 8.526 -1.702 1.00 0.00 C ATOM 1560 NZ LYS A 95 18.034 9.169 -0.363 1.00 0.00 N ATOM 0 H LYS A 95 15.733 3.651 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 95 16.796 4.149 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.635 6.624 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.039 6.247 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.742 5.578 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.745 6.995 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.944 7.717 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.118 6.762 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.920 8.186 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.601 9.262 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.700 9.967 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.098 9.516 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.375 8.474 0.331 1.00 0.00 H new ATOM 1574 N ILE A 96 13.722 3.416 -3.232 1.00 0.00 N ATOM 1575 CA ILE A 96 12.824 2.678 -2.354 1.00 0.00 C ATOM 1576 C ILE A 96 11.804 1.889 -3.170 1.00 0.00 C ATOM 1577 O ILE A 96 11.209 2.408 -4.115 1.00 0.00 O ATOM 1578 CB ILE A 96 12.081 3.619 -1.390 1.00 0.00 C ATOM 1579 CG1 ILE A 96 13.050 4.624 -0.765 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.352 2.819 -0.316 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.419 5.501 0.288 1.00 0.00 C ATOM 0 H ILE A 96 13.328 3.629 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 96 13.436 1.990 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 96 11.337 4.178 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.885 4.082 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.462 5.256 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.832 3.502 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.629 2.153 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.073 2.230 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.167 6.187 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.602 6.071 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.032 4.879 1.095 1.00 0.00 H new ATOM 1593 N LEU A 97 11.622 0.628 -2.803 1.00 0.00 N ATOM 1594 CA LEU A 97 10.695 -0.267 -3.488 1.00 0.00 C ATOM 1595 C LEU A 97 9.358 0.401 -3.821 1.00 0.00 C ATOM 1596 O LEU A 97 9.108 0.759 -4.971 1.00 0.00 O ATOM 1597 CB LEU A 97 10.474 -1.515 -2.630 1.00 0.00 C ATOM 1598 CG LEU A 97 11.756 -2.287 -2.315 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.069 -2.250 -0.834 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.684 -3.726 -2.805 1.00 0.00 C ATOM 0 H LEU A 97 12.113 0.195 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 97 11.144 -0.542 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.000 -1.221 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.779 -2.179 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 97 12.565 -1.791 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.986 -2.807 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.200 -1.216 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.247 -2.700 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.614 -4.240 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.851 -4.234 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.536 -3.736 -3.885 1.00 0.00 H new ATOM 1612 N PHE A 98 8.490 0.547 -2.822 1.00 0.00 N ATOM 1613 CA PHE A 98 7.173 1.146 -3.044 1.00 0.00 C ATOM 1614 C PHE A 98 7.055 2.537 -2.424 1.00 0.00 C ATOM 1615 O PHE A 98 6.022 2.879 -1.848 1.00 0.00 O ATOM 1616 CB PHE A 98 6.085 0.237 -2.475 1.00 0.00 C ATOM 1617 CG PHE A 98 6.261 -0.049 -1.016 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.076 -1.086 -0.598 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.622 0.724 -0.062 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.250 -1.349 0.744 1.00 0.00 C ATOM 1621 CE2 PHE A 98 5.789 0.467 1.285 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.606 -0.571 1.689 1.00 0.00 C ATOM 0 H PHE A 98 8.671 0.262 -1.859 1.00 0.00 H new ATOM 0 HA PHE A 98 7.045 1.254 -4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.112 0.702 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.082 -0.704 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.582 -1.696 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.985 1.538 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.889 -2.162 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.283 1.075 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.742 -0.775 2.741 1.00 0.00 H new ATOM 1632 N LYS A 99 8.100 3.347 -2.556 1.00 0.00 N ATOM 1633 CA LYS A 99 8.078 4.700 -2.019 1.00 0.00 C ATOM 1634 C LYS A 99 6.946 5.500 -2.658 1.00 0.00 C ATOM 1635 O LYS A 99 6.113 6.084 -1.965 1.00 0.00 O ATOM 1636 CB LYS A 99 9.427 5.386 -2.264 1.00 0.00 C ATOM 1637 CG LYS A 99 9.329 6.821 -2.753 1.00 0.00 C ATOM 1638 CD LYS A 99 10.621 7.584 -2.506 1.00 0.00 C ATOM 1639 CE LYS A 99 11.770 7.024 -3.331 1.00 0.00 C ATOM 1640 NZ LYS A 99 12.315 8.033 -4.280 1.00 0.00 N ATOM 0 H LYS A 99 8.967 3.091 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 99 7.904 4.652 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.001 5.370 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.988 4.804 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.099 6.828 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.506 7.324 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.475 8.636 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.876 7.536 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.564 6.686 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.427 6.151 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.936 7.562 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.531 8.497 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.860 8.746 -3.754 1.00 0.00 H new ATOM 1654 N ASP A 100 6.932 5.520 -3.985 1.00 0.00 N ATOM 1655 CA ASP A 100 5.913 6.246 -4.731 1.00 0.00 C ATOM 1656 C ASP A 100 4.513 5.778 -4.348 1.00 0.00 C ATOM 1657 O ASP A 100 3.573 6.568 -4.340 1.00 0.00 O ATOM 1658 CB ASP A 100 6.132 6.068 -6.236 1.00 0.00 C ATOM 1659 CG ASP A 100 6.179 7.392 -6.974 1.00 0.00 C ATOM 1660 OD1 ASP A 100 5.207 8.169 -6.863 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.188 7.651 -7.664 1.00 0.00 O ATOM 0 H ASP A 100 7.618 5.040 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 100 6.000 7.303 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.064 5.529 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.330 5.454 -6.647 1.00 0.00 H new ATOM 1666 N VAL A 101 4.379 4.494 -4.032 1.00 0.00 N ATOM 1667 CA VAL A 101 3.086 3.937 -3.653 1.00 0.00 C ATOM 1668 C VAL A 101 2.687 4.383 -2.265 1.00 0.00 C ATOM 1669 O VAL A 101 1.698 5.085 -2.100 1.00 0.00 O ATOM 1670 CB VAL A 101 3.092 2.408 -3.723 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.694 1.853 -3.505 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.646 1.981 -5.062 1.00 0.00 C ATOM 0 H VAL A 101 5.147 3.822 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 101 2.354 4.313 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 101 3.725 2.009 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.722 0.765 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.330 2.158 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.026 2.237 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.655 0.893 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.021 2.383 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.663 2.358 -5.172 1.00 0.00 H new ATOM 1682 N ASN A 102 3.469 4.009 -1.259 1.00 0.00 N ATOM 1683 CA ASN A 102 3.166 4.433 0.101 1.00 0.00 C ATOM 1684 C ASN A 102 2.917 5.942 0.106 1.00 0.00 C ATOM 1685 O ASN A 102 2.180 6.464 0.942 1.00 0.00 O ATOM 1686 CB ASN A 102 4.308 4.046 1.057 1.00 0.00 C ATOM 1687 CG ASN A 102 5.363 5.128 1.208 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.079 6.235 1.667 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.593 4.807 0.828 1.00 0.00 N ATOM 0 H ASN A 102 4.300 3.426 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 102 2.268 3.926 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.889 3.818 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.783 3.135 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.347 5.489 0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.785 3.878 0.453 1.00 0.00 H new ATOM 1696 N ARG A 103 3.530 6.626 -0.863 1.00 0.00 N ATOM 1697 CA ARG A 103 3.378 8.061 -1.015 1.00 0.00 C ATOM 1698 C ARG A 103 2.085 8.397 -1.757 1.00 0.00 C ATOM 1699 O ARG A 103 1.324 9.261 -1.317 1.00 0.00 O ATOM 1700 CB ARG A 103 4.574 8.643 -1.766 1.00 0.00 C ATOM 1701 CG ARG A 103 5.733 9.015 -0.859 1.00 0.00 C ATOM 1702 CD ARG A 103 5.493 10.347 -0.165 1.00 0.00 C ATOM 1703 NE ARG A 103 6.451 11.367 -0.585 1.00 0.00 N ATOM 1704 CZ ARG A 103 7.608 11.603 0.031 1.00 0.00 C ATOM 1705 NH1 ARG A 103 7.969 10.884 1.088 1.00 0.00 N ATOM 1706 NH2 ARG A 103 8.412 12.560 -0.414 1.00 0.00 N ATOM 0 H ARG A 103 4.141 6.196 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 103 3.331 8.504 -0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.918 7.918 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.253 9.528 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.876 8.235 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.651 9.069 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.481 10.690 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.560 10.210 0.914 1.00 0.00 H new ATOM 0 HE ARG A 103 6.219 11.934 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.358 10.144 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.857 11.072 1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.144 13.114 -1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.298 12.742 0.057 1.00 0.00 H new ATOM 1720 N LYS A 104 1.817 7.711 -2.878 1.00 0.00 N ATOM 1721 CA LYS A 104 0.594 7.976 -3.624 1.00 0.00 C ATOM 1722 C LYS A 104 -0.569 7.268 -2.940 1.00 0.00 C ATOM 1723 O LYS A 104 -1.617 7.860 -2.692 1.00 0.00 O ATOM 1724 CB LYS A 104 0.766 7.542 -5.093 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.265 6.546 -5.621 1.00 0.00 C ATOM 1726 CD LYS A 104 0.398 5.365 -6.317 1.00 0.00 C ATOM 1727 CE LYS A 104 1.468 5.814 -7.300 1.00 0.00 C ATOM 1728 NZ LYS A 104 0.995 6.930 -8.166 1.00 0.00 N ATOM 0 H LYS A 104 2.418 6.988 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 104 0.378 9.044 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.736 8.433 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.757 7.104 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.878 6.185 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.934 7.050 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.844 4.707 -5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.358 4.783 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.355 6.131 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.764 4.971 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.447 6.860 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.038 6.871 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.245 7.839 -7.728 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.342 6.003 -2.623 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.320 5.167 -1.944 1.00 0.00 C ATOM 1744 C LEU A 105 -1.810 5.836 -0.657 1.00 0.00 C ATOM 1745 O LEU A 105 -2.982 5.723 -0.292 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.678 3.811 -1.631 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.624 2.734 -1.110 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.000 1.357 -1.263 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.970 3.001 0.341 1.00 0.00 C ATOM 0 H LEU A 105 0.534 5.523 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.185 5.025 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.198 3.440 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.109 3.965 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.541 2.761 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.689 0.601 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.793 1.166 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.070 1.314 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.646 2.226 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.059 2.996 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.455 3.974 0.426 1.00 0.00 H new ATOM 1761 N SER A 106 -0.905 6.541 0.023 1.00 0.00 N ATOM 1762 CA SER A 106 -1.247 7.230 1.264 1.00 0.00 C ATOM 1763 C SER A 106 -2.249 8.350 1.006 1.00 0.00 C ATOM 1764 O SER A 106 -3.337 8.371 1.581 1.00 0.00 O ATOM 1765 CB SER A 106 0.006 7.814 1.920 1.00 0.00 C ATOM 1766 OG SER A 106 0.797 8.515 0.977 1.00 0.00 O ATOM 0 H SER A 106 0.067 6.649 -0.265 1.00 0.00 H new ATOM 0 HA SER A 106 -1.697 6.498 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.283 8.486 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.593 7.012 2.367 1.00 0.00 H new ATOM 0 HG SER A 106 1.702 8.139 0.965 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.865 9.282 0.142 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.717 10.418 -0.199 1.00 0.00 C ATOM 1774 C ASP A 107 -4.127 9.968 -0.567 1.00 0.00 C ATOM 1775 O ASP A 107 -5.097 10.694 -0.352 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.110 11.190 -1.366 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.256 12.691 -1.207 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -3.401 13.187 -1.277 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.226 13.371 -1.013 1.00 0.00 O ATOM 0 H ASP A 107 -0.965 9.274 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.782 11.061 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.053 10.938 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.590 10.878 -2.293 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.228 8.771 -1.127 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.513 8.226 -1.534 1.00 0.00 C ATOM 1786 C VAL A 108 -6.409 7.989 -0.334 1.00 0.00 C ATOM 1787 O VAL A 108 -7.574 8.381 -0.336 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.357 6.897 -2.291 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.569 6.632 -3.163 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.091 6.887 -3.122 1.00 0.00 C ATOM 0 H VAL A 108 -3.433 8.158 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.964 8.965 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.281 6.098 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.438 5.687 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.461 6.579 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.680 7.439 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.007 5.935 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.126 7.699 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.227 7.020 -2.471 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.866 7.346 0.694 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.657 7.078 1.890 1.00 0.00 C ATOM 1802 C TRP A 109 -7.034 8.388 2.564 1.00 0.00 C ATOM 1803 O TRP A 109 -8.112 8.514 3.144 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.927 6.166 2.881 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.732 5.924 4.124 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.314 6.056 5.415 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.104 5.520 4.189 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.348 5.780 6.279 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.458 5.441 5.548 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.065 5.221 3.225 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.741 5.080 5.963 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.333 4.861 3.635 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.662 4.795 4.992 1.00 0.00 C ATOM 0 H TRP A 109 -4.904 7.007 0.726 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.558 6.552 1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.707 5.213 2.401 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.971 6.616 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.315 6.337 5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.298 5.821 7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.822 5.270 2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.997 5.028 7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.084 4.626 2.895 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.664 4.513 5.280 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.145 9.371 2.469 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.399 10.677 3.053 1.00 0.00 C ATOM 1826 C LYS A 110 -7.607 11.313 2.381 1.00 0.00 C ATOM 1827 O LYS A 110 -8.392 12.011 3.017 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.174 11.581 2.898 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.911 11.005 3.514 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.789 12.032 3.553 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.594 12.592 4.952 1.00 0.00 C ATOM 1832 NZ LYS A 110 -3.514 13.728 5.232 1.00 0.00 N ATOM 0 H LYS A 110 -5.246 9.286 1.994 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.603 10.553 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.000 11.764 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.385 12.546 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.124 10.659 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.590 10.135 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.862 11.572 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.015 12.845 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.760 11.802 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.562 12.924 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.348 14.080 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.339 14.493 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.499 13.406 5.146 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.746 11.057 1.084 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.853 11.589 0.305 1.00 0.00 C ATOM 1848 C GLU A 111 -10.042 10.633 0.307 1.00 0.00 C ATOM 1849 O GLU A 111 -11.185 11.045 0.120 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.402 11.838 -1.130 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.526 13.291 -1.546 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.347 13.488 -3.038 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -7.322 13.022 -3.579 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -9.230 14.109 -3.665 1.00 0.00 O ATOM 0 H GLU A 111 -7.098 10.479 0.549 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.167 12.527 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.365 11.522 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.996 11.221 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.505 13.668 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.781 13.882 -1.013 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.760 9.358 0.514 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.800 8.340 0.535 1.00 0.00 C ATOM 1863 C LEU A 112 -11.489 8.321 1.894 1.00 0.00 C ATOM 1864 O LEU A 112 -12.715 8.264 1.981 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.203 6.965 0.216 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.217 5.824 0.087 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.358 6.209 -0.833 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.544 4.574 -0.439 1.00 0.00 C ATOM 0 H LEU A 112 -8.817 9.001 0.670 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.542 8.579 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.643 7.038 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.489 6.707 0.998 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.620 5.626 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.062 5.380 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.869 7.085 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.965 6.439 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.279 3.774 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.114 4.778 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.754 4.270 0.248 1.00 0.00 H new ATOM 1880 N SER A 113 -10.689 8.390 2.951 1.00 0.00 N ATOM 1881 CA SER A 113 -11.212 8.401 4.309 1.00 0.00 C ATOM 1882 C SER A 113 -11.957 9.704 4.578 1.00 0.00 C ATOM 1883 O SER A 113 -13.095 9.693 5.048 1.00 0.00 O ATOM 1884 CB SER A 113 -10.072 8.229 5.316 1.00 0.00 C ATOM 1885 OG SER A 113 -9.555 9.483 5.731 1.00 0.00 O ATOM 0 H SER A 113 -9.672 8.439 2.892 1.00 0.00 H new ATOM 0 HA SER A 113 -11.908 7.570 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.432 7.677 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.275 7.635 4.868 1.00 0.00 H new ATOM 0 HG SER A 113 -8.830 9.341 6.375 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.307 10.827 4.279 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.912 12.135 4.494 1.00 0.00 C ATOM 1893 C LEU A 114 -13.216 12.257 3.702 1.00 0.00 C ATOM 1894 O LEU A 114 -14.158 12.913 4.147 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.895 13.248 4.162 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.187 14.150 2.955 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.304 13.333 1.686 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.442 14.980 3.178 1.00 0.00 C ATOM 0 H LEU A 114 -10.365 10.855 3.889 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.177 12.251 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.798 13.886 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.925 12.778 4.001 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.347 14.836 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.511 13.995 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.369 12.802 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.116 12.614 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.622 15.608 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.294 14.318 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.310 15.610 4.058 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.278 11.599 2.545 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.483 11.616 1.724 1.00 0.00 C ATOM 1912 C LEU A 115 -15.521 10.669 2.310 1.00 0.00 C ATOM 1913 O LEU A 115 -16.724 10.926 2.246 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.164 11.197 0.287 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.588 12.302 -0.595 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.300 11.779 -1.994 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.539 13.488 -0.649 1.00 0.00 C ATOM 0 H LEU A 115 -12.510 11.050 2.158 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.878 12.632 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.456 10.369 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.076 10.821 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.647 12.635 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.890 12.583 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.579 10.963 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.224 11.416 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.114 14.267 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.496 13.168 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.690 13.880 0.357 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.040 9.569 2.880 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.913 8.574 3.483 1.00 0.00 C ATOM 1931 C LEU A 116 -16.660 9.160 4.673 1.00 0.00 C ATOM 1932 O LEU A 116 -17.858 8.933 4.838 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.102 7.352 3.908 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.853 6.339 2.793 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -13.842 5.291 3.233 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.160 5.686 2.380 1.00 0.00 C ATOM 0 H LEU A 116 -14.046 9.346 2.936 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.649 8.265 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.141 7.687 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.622 6.853 4.726 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.439 6.864 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.680 4.580 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.899 5.777 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.222 4.764 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.971 4.965 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.598 5.174 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.851 6.449 2.022 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.951 9.932 5.489 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.562 10.569 6.649 1.00 0.00 C ATOM 1950 C GLN A 117 -17.717 11.465 6.211 1.00 0.00 C ATOM 1951 O GLN A 117 -18.596 11.798 7.003 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.528 11.396 7.415 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.381 10.573 7.976 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.037 11.249 7.794 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.868 12.423 8.126 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.071 10.510 7.262 1.00 0.00 N ATOM 0 H GLN A 117 -14.958 10.131 5.370 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.944 9.788 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.124 12.161 6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -16.026 11.915 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.553 10.393 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.363 9.599 7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.255 9.541 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.145 10.911 7.114 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.698 11.859 4.939 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.734 12.721 4.384 1.00 0.00 C ATOM 1967 C VAL A 118 -19.879 11.914 3.787 1.00 0.00 C ATOM 1968 O VAL A 118 -21.036 12.068 4.178 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.165 13.626 3.279 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.125 14.761 2.974 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.794 14.154 3.666 1.00 0.00 C ATOM 0 H VAL A 118 -16.973 11.593 4.273 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.107 13.325 5.211 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.047 13.032 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.706 15.391 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.078 14.351 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.282 15.357 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.411 14.792 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.873 14.732 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.112 13.318 3.820 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.545 11.075 2.813 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.542 10.260 2.124 1.00 0.00 C ATOM 1983 C GLU A 119 -21.058 9.118 2.998 1.00 0.00 C ATOM 1984 O GLU A 119 -22.266 8.899 3.090 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.951 9.698 0.830 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.219 10.738 -0.002 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.106 11.905 -0.389 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -20.671 12.549 0.519 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -20.236 12.175 -1.602 1.00 0.00 O ATOM 0 H GLU A 119 -18.590 10.940 2.481 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.390 10.906 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.262 8.890 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.752 9.264 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.361 11.109 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.830 10.267 -0.905 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.147 8.386 3.626 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.530 7.263 4.476 1.00 0.00 C ATOM 1998 C GLN A 120 -20.799 7.708 5.911 1.00 0.00 C ATOM 1999 O GLN A 120 -21.409 6.975 6.690 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.443 6.190 4.454 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.179 5.625 3.068 1.00 0.00 C ATOM 2002 CD GLN A 120 -20.403 4.967 2.465 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -21.033 5.512 1.558 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -20.746 3.787 2.967 1.00 0.00 N ATOM 0 H GLN A 120 -19.142 8.547 3.564 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.455 6.847 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.519 6.612 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.732 5.377 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -18.841 6.427 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -18.370 4.897 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -20.195 3.373 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -21.561 3.295 2.601 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.347 8.908 6.259 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.547 9.437 7.603 1.00 0.00 C ATOM 2015 C ARG A 121 -19.863 8.563 8.650 1.00 0.00 C ATOM 2016 O ARG A 121 -20.214 8.605 9.829 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.042 9.547 7.913 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.787 10.495 6.987 1.00 0.00 C ATOM 2019 CD ARG A 121 -22.530 11.947 7.355 1.00 0.00 C ATOM 2020 NE ARG A 121 -23.441 12.856 6.665 1.00 0.00 N ATOM 2021 CZ ARG A 121 -24.744 12.938 6.926 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -25.291 12.169 7.860 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -25.503 13.792 6.253 1.00 0.00 N ATOM 0 H ARG A 121 -19.841 9.532 5.630 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.098 10.429 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.493 8.557 7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.167 9.884 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.476 10.319 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.856 10.289 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.639 12.073 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.501 12.207 7.107 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.057 13.463 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.712 11.511 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.290 12.236 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.089 14.386 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.501 13.855 6.453 1.00 0.00 H new ATOM 2037 N MET A 122 -18.886 7.769 8.218 1.00 0.00 N ATOM 2038 CA MET A 122 -18.164 6.891 9.129 1.00 0.00 C ATOM 2039 C MET A 122 -17.045 7.648 9.845 1.00 0.00 C ATOM 2040 O MET A 122 -16.325 8.433 9.228 1.00 0.00 O ATOM 2041 CB MET A 122 -17.595 5.688 8.369 1.00 0.00 C ATOM 2042 CG MET A 122 -16.397 6.009 7.480 1.00 0.00 C ATOM 2043 SD MET A 122 -15.014 4.879 7.741 1.00 0.00 S ATOM 2044 CE MET A 122 -13.855 5.449 6.498 1.00 0.00 C ATOM 0 H MET A 122 -18.579 7.717 7.247 1.00 0.00 H new ATOM 0 HA MET A 122 -18.865 6.530 9.882 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.302 4.925 9.090 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.384 5.258 7.752 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.703 5.966 6.435 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.068 7.030 7.675 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.841 5.399 6.896 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.929 4.816 5.614 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.089 6.479 6.228 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.878 7.428 11.163 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.835 8.100 11.938 1.00 0.00 C ATOM 2056 C PRO A 123 -14.450 7.574 11.592 1.00 0.00 C ATOM 2057 O PRO A 123 -14.204 6.369 11.637 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.184 7.774 13.400 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.532 7.129 13.365 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.675 6.523 11.999 1.00 0.00 C ATOM 0 HA PRO A 123 -15.804 9.170 11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.443 7.106 13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.199 8.678 14.009 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.618 6.367 14.139 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.318 7.861 13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.296 5.502 11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.716 6.486 11.679 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.553 8.483 11.233 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.200 8.104 10.864 1.00 0.00 C ATOM 2070 C VAL A 124 -11.175 9.076 11.431 1.00 0.00 C ATOM 2071 O VAL A 124 -11.505 10.207 11.788 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.043 8.072 9.337 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.732 7.411 8.941 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.223 7.366 8.691 1.00 0.00 C ATOM 0 H VAL A 124 -13.739 9.485 11.190 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.024 7.112 11.280 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.023 9.100 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.644 7.400 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.899 7.970 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.712 6.388 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.092 7.354 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.281 6.342 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.144 7.894 8.939 1.00 0.00 H new ATOM 2084 N SER A 125 -9.927 8.631 11.489 1.00 0.00 N ATOM 2085 CA SER A 125 -8.840 9.463 11.989 1.00 0.00 C ATOM 2086 C SER A 125 -7.802 9.665 10.891 1.00 0.00 C ATOM 2087 O SER A 125 -7.860 8.998 9.859 1.00 0.00 O ATOM 2088 CB SER A 125 -8.193 8.818 13.217 1.00 0.00 C ATOM 2089 OG SER A 125 -8.689 9.391 14.415 1.00 0.00 O ATOM 0 H SER A 125 -9.642 7.697 11.195 1.00 0.00 H new ATOM 0 HA SER A 125 -9.243 10.432 12.283 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.389 7.746 13.214 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.111 8.944 13.170 1.00 0.00 H new ATOM 0 HG SER A 125 -8.262 8.961 15.185 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.835 10.581 11.089 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.790 10.839 10.093 1.00 0.00 C ATOM 2097 C PRO A 126 -5.164 9.544 9.597 1.00 0.00 C ATOM 2098 O PRO A 126 -4.173 9.068 10.150 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.770 11.679 10.863 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.569 12.369 11.916 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.679 11.423 12.290 1.00 0.00 C ATOM 0 HA PRO A 126 -6.171 11.336 9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.992 11.054 11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.273 12.396 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.950 12.605 12.782 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.970 13.312 11.545 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.421 10.828 13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.599 11.958 12.527 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.775 8.966 8.569 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.324 7.704 7.999 1.00 0.00 C ATOM 2111 C ILE A 127 -5.605 6.554 8.969 1.00 0.00 C ATOM 2112 O ILE A 127 -6.278 5.587 8.613 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.820 7.724 7.629 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.567 8.695 6.462 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.327 6.318 7.286 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -3.820 8.109 5.086 1.00 0.00 C ATOM 0 H ILE A 127 -6.596 9.359 8.108 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.885 7.554 7.076 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.257 8.075 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.202 9.571 6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -2.534 9.040 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.268 6.356 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.469 5.663 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.892 5.931 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.616 8.863 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.166 7.251 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -4.860 7.791 5.012 1.00 0.00 H new ATOM 2128 N SER A 128 -5.078 6.664 10.191 1.00 0.00 N ATOM 2129 CA SER A 128 -5.261 5.638 11.221 1.00 0.00 C ATOM 2130 C SER A 128 -4.314 4.460 10.997 1.00 0.00 C ATOM 2131 O SER A 128 -3.998 3.720 11.928 1.00 0.00 O ATOM 2132 CB SER A 128 -6.715 5.154 11.264 1.00 0.00 C ATOM 2133 OG SER A 128 -7.616 6.246 11.303 1.00 0.00 O ATOM 0 H SER A 128 -4.517 7.460 10.493 1.00 0.00 H new ATOM 0 HA SER A 128 -5.022 6.091 12.183 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.923 4.539 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.866 4.523 12.140 1.00 0.00 H new ATOM 0 HG SER A 128 -8.536 5.910 11.328 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.856 4.302 9.760 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.936 3.232 9.407 1.00 0.00 C ATOM 2141 C GLN A 129 -1.490 3.715 9.484 1.00 0.00 C ATOM 2142 O GLN A 129 -0.592 3.095 8.914 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.230 2.741 7.989 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.527 1.962 7.861 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.744 2.755 8.298 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.038 2.849 9.488 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.465 3.324 7.333 1.00 0.00 N ATOM 0 H GLN A 129 -4.111 4.908 8.980 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.073 2.415 10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.266 3.600 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.405 2.111 7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.656 1.652 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.459 1.054 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.184 3.220 6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.298 3.864 7.569 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.269 4.835 10.172 1.00 0.00 N ATOM 2157 CA GLY A 130 0.072 5.380 10.279 1.00 0.00 C ATOM 2158 C GLY A 130 0.653 5.686 8.915 1.00 0.00 C ATOM 2159 O GLY A 130 1.405 4.888 8.363 1.00 0.00 O ATOM 0 H GLY A 130 -1.991 5.370 10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.050 6.289 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.715 4.670 10.799 1.00 0.00 H new ATOM 2163 N ALA A 131 0.286 6.839 8.362 1.00 0.00 N ATOM 2164 CA ALA A 131 0.750 7.246 7.037 1.00 0.00 C ATOM 2165 C ALA A 131 2.233 7.621 7.008 1.00 0.00 C ATOM 2166 O ALA A 131 2.679 8.315 6.095 1.00 0.00 O ATOM 2167 CB ALA A 131 -0.092 8.403 6.526 1.00 0.00 C ATOM 0 H ALA A 131 -0.334 7.511 8.813 1.00 0.00 H new ATOM 0 HA ALA A 131 0.634 6.382 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.260 8.701 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -1.135 8.093 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -0.006 9.246 7.211 1.00 0.00 H new ATOM 2173 N SER A 132 3.000 7.155 7.989 1.00 0.00 N ATOM 2174 CA SER A 132 4.428 7.445 8.034 1.00 0.00 C ATOM 2175 C SER A 132 5.225 6.393 7.264 1.00 0.00 C ATOM 2176 O SER A 132 6.449 6.324 7.380 1.00 0.00 O ATOM 2177 CB SER A 132 4.911 7.498 9.480 1.00 0.00 C ATOM 2178 OG SER A 132 4.648 8.762 10.064 1.00 0.00 O ATOM 0 H SER A 132 2.659 6.579 8.758 1.00 0.00 H new ATOM 0 HA SER A 132 4.589 8.415 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.418 6.717 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.981 7.294 9.516 1.00 0.00 H new ATOM 0 HG SER A 132 4.966 8.767 10.991 1.00 0.00 H new ATOM 2184 N TRP A 133 4.525 5.571 6.482 1.00 0.00 N ATOM 2185 CA TRP A 133 5.167 4.518 5.695 1.00 0.00 C ATOM 2186 C TRP A 133 6.404 5.042 4.975 1.00 0.00 C ATOM 2187 O TRP A 133 7.472 4.433 5.021 1.00 0.00 O ATOM 2188 CB TRP A 133 4.205 3.950 4.648 1.00 0.00 C ATOM 2189 CG TRP A 133 2.780 3.834 5.095 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.324 3.447 6.322 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.620 4.097 4.301 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.947 3.459 6.336 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.494 3.852 5.106 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.430 4.519 2.985 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.807 4.013 4.635 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.141 4.676 2.517 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.964 4.425 3.339 1.00 0.00 C ATOM 0 H TRP A 133 3.511 5.614 6.377 1.00 0.00 H new ATOM 0 HA TRP A 133 5.456 3.734 6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.242 4.583 3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.558 2.963 4.350 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.950 3.172 7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.360 3.215 7.134 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.276 4.719 2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.660 3.820 5.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -0.018 4.998 1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.960 4.559 2.943 1.00 0.00 H new ATOM 2208 N ALA A 134 6.239 6.170 4.295 1.00 0.00 N ATOM 2209 CA ALA A 134 7.323 6.783 3.540 1.00 0.00 C ATOM 2210 C ALA A 134 8.567 6.981 4.397 1.00 0.00 C ATOM 2211 O ALA A 134 9.691 6.889 3.904 1.00 0.00 O ATOM 2212 CB ALA A 134 6.862 8.107 2.950 1.00 0.00 C ATOM 0 H ALA A 134 5.358 6.681 4.252 1.00 0.00 H new ATOM 0 HA ALA A 134 7.593 6.106 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.679 8.559 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.015 7.934 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.561 8.778 3.754 1.00 0.00 H new ATOM 2218 N GLN A 135 8.364 7.249 5.682 1.00 0.00 N ATOM 2219 CA GLN A 135 9.477 7.456 6.601 1.00 0.00 C ATOM 2220 C GLN A 135 10.240 6.154 6.830 1.00 0.00 C ATOM 2221 O GLN A 135 11.471 6.129 6.803 1.00 0.00 O ATOM 2222 CB GLN A 135 8.970 8.006 7.935 1.00 0.00 C ATOM 2223 CG GLN A 135 8.381 9.404 7.832 1.00 0.00 C ATOM 2224 CD GLN A 135 8.479 10.175 9.135 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.673 9.593 10.201 1.00 0.00 O ATOM 2226 NE2 GLN A 135 8.344 11.493 9.052 1.00 0.00 N ATOM 0 H GLN A 135 7.442 7.328 6.110 1.00 0.00 H new ATOM 0 HA GLN A 135 10.156 8.181 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.213 7.330 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.793 8.019 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.899 9.956 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.335 9.333 7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.184 11.933 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.400 12.065 9.894 1.00 0.00 H new ATOM 2235 N GLU A 136 9.499 5.074 7.057 1.00 0.00 N ATOM 2236 CA GLU A 136 10.102 3.767 7.294 1.00 0.00 C ATOM 2237 C GLU A 136 10.556 3.125 5.986 1.00 0.00 C ATOM 2238 O GLU A 136 11.510 2.348 5.967 1.00 0.00 O ATOM 2239 CB GLU A 136 9.106 2.850 8.005 1.00 0.00 C ATOM 2240 CG GLU A 136 9.253 2.850 9.518 1.00 0.00 C ATOM 2241 CD GLU A 136 8.929 1.505 10.137 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.715 0.555 9.937 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.889 1.401 10.820 1.00 0.00 O ATOM 0 H GLU A 136 8.479 5.078 7.082 1.00 0.00 H new ATOM 0 HA GLU A 136 10.978 3.909 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.093 3.158 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.234 1.832 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.274 3.129 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.596 3.609 9.943 1.00 0.00 H new ATOM 2250 N ASP A 137 9.867 3.450 4.897 1.00 0.00 N ATOM 2251 CA ASP A 137 10.201 2.901 3.590 1.00 0.00 C ATOM 2252 C ASP A 137 11.649 3.198 3.227 1.00 0.00 C ATOM 2253 O ASP A 137 12.377 2.315 2.772 1.00 0.00 O ATOM 2254 CB ASP A 137 9.276 3.479 2.524 1.00 0.00 C ATOM 2255 CG ASP A 137 8.097 2.574 2.225 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.194 2.472 3.081 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.077 1.966 1.133 1.00 0.00 O ATOM 0 H ASP A 137 9.074 4.091 4.895 1.00 0.00 H new ATOM 0 HA ASP A 137 10.070 1.820 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.909 4.451 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.843 3.647 1.608 1.00 0.00 H new ATOM 2262 N GLN A 138 12.066 4.443 3.431 1.00 0.00 N ATOM 2263 CA GLN A 138 13.436 4.833 3.117 1.00 0.00 C ATOM 2264 C GLN A 138 14.402 4.205 4.107 1.00 0.00 C ATOM 2265 O GLN A 138 15.406 3.613 3.717 1.00 0.00 O ATOM 2266 CB GLN A 138 13.621 6.356 3.120 1.00 0.00 C ATOM 2267 CG GLN A 138 12.333 7.154 2.991 1.00 0.00 C ATOM 2268 CD GLN A 138 12.568 8.578 2.519 1.00 0.00 C ATOM 2269 OE1 GLN A 138 11.988 9.523 3.053 1.00 0.00 O ATOM 2270 NE2 GLN A 138 13.420 8.740 1.512 1.00 0.00 N ATOM 0 H GLN A 138 11.484 5.191 3.808 1.00 0.00 H new ATOM 0 HA GLN A 138 13.648 4.472 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.120 6.646 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 138 14.285 6.629 2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 138 11.667 6.649 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 138 11.826 7.175 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 138 13.880 7.929 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 138 13.614 9.675 1.154 1.00 0.00 H new ATOM 2279 N GLN A 139 14.089 4.326 5.393 1.00 0.00 N ATOM 2280 CA GLN A 139 14.934 3.752 6.432 1.00 0.00 C ATOM 2281 C GLN A 139 15.238 2.292 6.115 1.00 0.00 C ATOM 2282 O GLN A 139 16.355 1.821 6.316 1.00 0.00 O ATOM 2283 CB GLN A 139 14.250 3.862 7.796 1.00 0.00 C ATOM 2284 CG GLN A 139 14.254 5.271 8.369 1.00 0.00 C ATOM 2285 CD GLN A 139 14.521 5.293 9.861 1.00 0.00 C ATOM 2286 OE1 GLN A 139 13.686 4.866 10.659 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.690 5.792 10.246 1.00 0.00 N ATOM 0 H GLN A 139 13.262 4.813 5.738 1.00 0.00 H new ATOM 0 HA GLN A 139 15.871 4.309 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.219 3.519 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.748 3.192 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.013 5.864 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.292 5.743 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.352 6.135 9.550 1.00 0.00 H new ATOM 0 HE22 GLN A 139 15.926 5.832 11.238 1.00 0.00 H new ATOM 2296 N ASP A 140 14.232 1.589 5.601 1.00 0.00 N ATOM 2297 CA ASP A 140 14.384 0.184 5.239 1.00 0.00 C ATOM 2298 C ASP A 140 14.964 0.040 3.833 1.00 0.00 C ATOM 2299 O ASP A 140 15.474 -1.016 3.469 1.00 0.00 O ATOM 2300 CB ASP A 140 13.035 -0.529 5.323 1.00 0.00 C ATOM 2301 CG ASP A 140 12.793 -1.151 6.685 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.782 -1.510 7.358 1.00 0.00 O ATOM 2303 OD2 ASP A 140 11.614 -1.278 7.078 1.00 0.00 O ATOM 0 H ASP A 140 13.302 1.970 5.426 1.00 0.00 H new ATOM 0 HA ASP A 140 15.077 -0.275 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.238 0.181 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.989 -1.305 4.559 1.00 0.00 H new ATOM 2308 N ALA A 141 14.880 1.114 3.054 1.00 0.00 N ATOM 2309 CA ALA A 141 15.391 1.128 1.690 1.00 0.00 C ATOM 2310 C ALA A 141 16.874 1.463 1.682 1.00 0.00 C ATOM 2311 O ALA A 141 17.700 0.666 1.238 1.00 0.00 O ATOM 2312 CB ALA A 141 14.616 2.135 0.849 1.00 0.00 C ATOM 0 H ALA A 141 14.458 1.994 3.350 1.00 0.00 H new ATOM 0 HA ALA A 141 15.259 0.136 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.007 2.137 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.561 1.860 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.725 3.130 1.281 1.00 0.00 H new ATOM 2318 N ASP A 142 17.205 2.646 2.190 1.00 0.00 N ATOM 2319 CA ASP A 142 18.590 3.085 2.256 1.00 0.00 C ATOM 2320 C ASP A 142 19.429 2.060 3.009 1.00 0.00 C ATOM 2321 O ASP A 142 20.565 1.771 2.629 1.00 0.00 O ATOM 2322 CB ASP A 142 18.684 4.452 2.939 1.00 0.00 C ATOM 2323 CG ASP A 142 20.024 5.123 2.712 1.00 0.00 C ATOM 2324 OD1 ASP A 142 21.054 4.415 2.738 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.046 6.354 2.508 1.00 0.00 O ATOM 0 H ASP A 142 16.531 3.316 2.561 1.00 0.00 H new ATOM 0 HA ASP A 142 18.976 3.178 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.890 5.097 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.518 4.332 4.010 1.00 0.00 H new ATOM 2330 N GLU A 143 18.856 1.500 4.072 1.00 0.00 N ATOM 2331 CA GLU A 143 19.548 0.495 4.865 1.00 0.00 C ATOM 2332 C GLU A 143 19.598 -0.834 4.120 1.00 0.00 C ATOM 2333 O GLU A 143 20.554 -1.597 4.256 1.00 0.00 O ATOM 2334 CB GLU A 143 18.862 0.307 6.218 1.00 0.00 C ATOM 2335 CG GLU A 143 19.161 1.418 7.212 1.00 0.00 C ATOM 2336 CD GLU A 143 19.257 0.913 8.638 1.00 0.00 C ATOM 2337 OE1 GLU A 143 19.906 -0.132 8.855 1.00 0.00 O ATOM 2338 OE2 GLU A 143 18.686 1.563 9.538 1.00 0.00 O ATOM 0 H GLU A 143 17.917 1.726 4.401 1.00 0.00 H new ATOM 0 HA GLU A 143 20.567 0.843 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.784 0.249 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.175 -0.646 6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.098 1.903 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.380 2.176 7.150 1.00 0.00 H new ATOM 2345 N ASP A 144 18.558 -1.113 3.333 1.00 0.00 N ATOM 2346 CA ASP A 144 18.501 -2.363 2.577 1.00 0.00 C ATOM 2347 C ASP A 144 19.645 -2.456 1.569 1.00 0.00 C ATOM 2348 O ASP A 144 20.491 -3.343 1.657 1.00 0.00 O ATOM 2349 CB ASP A 144 17.162 -2.489 1.847 1.00 0.00 C ATOM 2350 CG ASP A 144 16.210 -3.440 2.546 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.692 -4.386 3.204 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.983 -3.239 2.436 1.00 0.00 O ATOM 0 H ASP A 144 17.754 -0.499 3.204 1.00 0.00 H new ATOM 0 HA ASP A 144 18.601 -3.182 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.698 -1.505 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.337 -2.838 0.829 1.00 0.00 H new ATOM 2357 N ARG A 145 19.655 -1.536 0.608 1.00 0.00 N ATOM 2358 CA ARG A 145 20.682 -1.512 -0.431 1.00 0.00 C ATOM 2359 C ARG A 145 22.084 -1.619 0.162 1.00 0.00 C ATOM 2360 O ARG A 145 22.886 -2.438 -0.278 1.00 0.00 O ATOM 2361 CB ARG A 145 20.566 -0.237 -1.269 1.00 0.00 C ATOM 2362 CG ARG A 145 20.491 1.033 -0.440 1.00 0.00 C ATOM 2363 CD ARG A 145 20.206 2.248 -1.307 1.00 0.00 C ATOM 2364 NE ARG A 145 21.300 2.526 -2.235 1.00 0.00 N ATOM 2365 CZ ARG A 145 22.429 3.141 -1.889 1.00 0.00 C ATOM 2366 NH1 ARG A 145 22.617 3.542 -0.637 1.00 0.00 N ATOM 2367 NH2 ARG A 145 23.373 3.355 -2.795 1.00 0.00 N ATOM 0 H ARG A 145 18.960 -0.794 0.527 1.00 0.00 H new ATOM 0 HA ARG A 145 20.519 -2.379 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.424 -0.173 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.677 -0.304 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.710 0.931 0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.431 1.177 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 145 19.286 2.085 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 145 20.041 3.117 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 145 21.192 2.231 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 145 21.895 3.379 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 145 23.484 4.013 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 145 23.235 3.048 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 145 24.238 3.826 -2.529 1.00 0.00 H new