USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 96 A O2' : rot -20:sc= 0.341 USER MOD Single : A 96 A O5' : rot -26:sc= 0.00267 USER MOD Single : A 97 U O2' : rot 17:sc= 0.445 USER MOD Single : A 98 C O2' : rot -82:sc= 0.436 USER MOD Single : A 99 A O2' : rot 28:sc= 0.229 USER MOD Single : A 100 A O2' : rot 180:sc= 0 USER MOD Single : A 101 A O2' : rot 180:sc= 0.779 USER MOD Single : A 101 A O3' : rot 141:sc= 0.151 USER MOD Single : B 1 MET CE :methyl 162:sc= -3.6! (180deg=-4.82!) USER MOD Single : B 1 MET N :NH3+ -163:sc=-0.00722 (180deg=-0.173) USER MOD Single : B 9 LYS NZ :NH3+ 161:sc= 2.26 (180deg=1.84) USER MOD Single : B 16 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.3!) USER MOD Single : B 17 THR OG1 : rot 78:sc= 1.27 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : B 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0637) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.839 USER MOD Single : B 40 MET CE :methyl -125:sc= -0.645 (180deg=-3.31!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot -170:sc= -0.12 USER MOD Single : B 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 LYS NZ :NH3+ -165:sc=-0.00488 (180deg=-0.237) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.0303 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -147:sc= -1.94 (180deg=-3.08!) USER MOD Single : B 70 ASN : amide:sc= 0.302 K(o=0.3,f=-3.7!) USER MOD Single : B 72 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0.547) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0395 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ -107:sc= 0.629 (180deg=0.195) USER MOD Single : B 83 GLN : amide:sc= 0.412 K(o=0.41,f=-0.44) USER MOD Single : B 85 THR OG1 : rot -60:sc= 0.373 USER MOD Single : B 86 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.16) USER MOD Single : B 88 SER OG : rot -25:sc= 0.362 USER MOD Single : B 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET B 1 0.208 1.175 -1.276 1.00 0.00 N ATOM 2 CA MET B 1 0.476 1.471 -2.697 1.00 0.00 C ATOM 3 C MET B 1 -0.610 0.887 -3.591 1.00 0.00 C ATOM 4 O MET B 1 -0.520 -0.258 -4.028 1.00 0.00 O ATOM 5 CB MET B 1 1.857 0.962 -3.129 1.00 0.00 C ATOM 6 CG MET B 1 2.992 1.808 -2.546 1.00 0.00 C ATOM 7 SD MET B 1 3.347 3.376 -3.391 1.00 0.00 S ATOM 8 CE MET B 1 1.930 4.399 -2.918 1.00 0.00 C ATOM 0 H1 MET B 1 0.777 1.806 -0.677 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.802 1.323 -1.075 1.00 0.00 H new ATOM 0 H3 MET B 1 0.459 0.186 -1.074 1.00 0.00 H new ATOM 0 HA MET B 1 0.469 2.555 -2.808 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.977 -0.073 -2.810 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.922 0.970 -4.217 1.00 0.00 H new ATOM 0 HG2 MET B 1 2.755 2.027 -1.505 1.00 0.00 H new ATOM 0 HG3 MET B 1 3.901 1.207 -2.546 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.166 5.449 -3.089 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.064 4.120 -3.518 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.706 4.244 -1.863 1.00 0.00 H new ATOM 20 N VAL B 2 -1.642 1.693 -3.859 1.00 0.00 N ATOM 21 CA VAL B 2 -2.677 1.373 -4.839 1.00 0.00 C ATOM 22 C VAL B 2 -2.152 1.636 -6.247 1.00 0.00 C ATOM 23 O VAL B 2 -2.842 1.471 -7.252 1.00 0.00 O ATOM 24 CB VAL B 2 -3.938 2.188 -4.521 1.00 0.00 C ATOM 25 CG1 VAL B 2 -3.632 3.690 -4.546 1.00 0.00 C ATOM 26 CG2 VAL B 2 -5.057 1.934 -5.529 1.00 0.00 C ATOM 0 H VAL B 2 -1.781 2.592 -3.397 1.00 0.00 H new ATOM 0 HA VAL B 2 -2.941 0.317 -4.788 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.262 1.871 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -4.539 4.250 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -2.868 3.918 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -3.271 3.971 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -5.929 2.532 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -4.717 2.211 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -5.325 0.877 -5.517 1.00 0.00 H new ATOM 36 N GLU B 3 -0.894 2.054 -6.301 1.00 0.00 N ATOM 37 CA GLU B 3 -0.254 2.558 -7.491 1.00 0.00 C ATOM 38 C GLU B 3 0.107 1.427 -8.446 1.00 0.00 C ATOM 39 O GLU B 3 0.446 0.325 -8.021 1.00 0.00 O ATOM 40 CB GLU B 3 0.989 3.336 -7.059 1.00 0.00 C ATOM 41 CG GLU B 3 0.602 4.506 -6.150 1.00 0.00 C ATOM 42 CD GLU B 3 -0.095 5.609 -6.942 1.00 0.00 C ATOM 43 OE1 GLU B 3 0.616 6.308 -7.695 1.00 0.00 O ATOM 44 OE2 GLU B 3 -1.329 5.746 -6.788 1.00 0.00 O ATOM 0 H GLU B 3 -0.279 2.048 -5.488 1.00 0.00 H new ATOM 0 HA GLU B 3 -0.936 3.214 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU B 3 1.676 2.672 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU B 3 1.515 3.709 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -0.056 4.152 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU B 3 1.494 4.907 -5.669 1.00 0.00 H new ATOM 51 N ALA B 4 0.029 1.720 -9.743 1.00 0.00 N ATOM 52 CA ALA B 4 0.353 0.766 -10.788 1.00 0.00 C ATOM 53 C ALA B 4 1.076 1.518 -11.901 1.00 0.00 C ATOM 54 O ALA B 4 0.452 2.134 -12.765 1.00 0.00 O ATOM 55 CB ALA B 4 -0.938 0.107 -11.268 1.00 0.00 C ATOM 0 H ALA B 4 -0.263 2.632 -10.094 1.00 0.00 H new ATOM 0 HA ALA B 4 1.010 -0.027 -10.430 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -0.709 -0.613 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -1.416 -0.407 -10.434 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -1.612 0.869 -11.659 1.00 0.00 H new ATOM 61 N ASP B 5 2.408 1.463 -11.869 1.00 0.00 N ATOM 62 CA ASP B 5 3.253 2.265 -12.738 1.00 0.00 C ATOM 63 C ASP B 5 3.445 1.643 -14.117 1.00 0.00 C ATOM 64 O ASP B 5 3.906 0.510 -14.220 1.00 0.00 O ATOM 65 CB ASP B 5 4.593 2.458 -12.040 1.00 0.00 C ATOM 66 CG ASP B 5 5.569 3.268 -12.887 1.00 0.00 C ATOM 67 OD1 ASP B 5 5.225 4.425 -13.211 1.00 0.00 O ATOM 68 OD2 ASP B 5 6.651 2.717 -13.198 1.00 0.00 O ATOM 0 H ASP B 5 2.928 0.857 -11.235 1.00 0.00 H new ATOM 0 HA ASP B 5 2.765 3.224 -12.913 1.00 0.00 H new ATOM 0 HB2 ASP B 5 4.435 2.963 -11.087 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.029 1.484 -11.817 1.00 0.00 H new ATOM 73 N ARG B 6 3.085 2.410 -15.154 1.00 0.00 N ATOM 74 CA ARG B 6 3.242 2.082 -16.570 1.00 0.00 C ATOM 75 C ARG B 6 2.713 0.693 -16.949 1.00 0.00 C ATOM 76 O ARG B 6 3.335 -0.320 -16.625 1.00 0.00 O ATOM 77 CB ARG B 6 4.724 2.241 -16.937 1.00 0.00 C ATOM 78 CG ARG B 6 5.000 1.981 -18.423 1.00 0.00 C ATOM 79 CD ARG B 6 4.217 2.927 -19.335 1.00 0.00 C ATOM 80 NE ARG B 6 4.541 4.334 -19.064 1.00 0.00 N ATOM 81 CZ ARG B 6 3.960 5.368 -19.679 1.00 0.00 C ATOM 82 NH1 ARG B 6 3.019 5.176 -20.599 1.00 0.00 N ATOM 83 NH2 ARG B 6 4.322 6.608 -19.374 1.00 0.00 N ATOM 0 H ARG B 6 2.654 3.324 -15.016 1.00 0.00 H new ATOM 0 HA ARG B 6 2.628 2.773 -17.147 1.00 0.00 H new ATOM 0 HB2 ARG B 6 5.050 3.249 -16.683 1.00 0.00 H new ATOM 0 HB3 ARG B 6 5.318 1.553 -16.336 1.00 0.00 H new ATOM 0 HG2 ARG B 6 6.067 2.094 -18.617 1.00 0.00 H new ATOM 0 HG3 ARG B 6 4.739 0.950 -18.663 1.00 0.00 H new ATOM 0 HD2 ARG B 6 4.440 2.696 -20.377 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.148 2.766 -19.195 1.00 0.00 H new ATOM 0 HE ARG B 6 5.254 4.534 -18.363 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.731 4.229 -20.844 1.00 0.00 H new ATOM 0 HH12 ARG B 6 2.585 5.976 -21.059 1.00 0.00 H new ATOM 0 HH21 ARG B 6 5.043 6.771 -18.671 1.00 0.00 H new ATOM 0 HH22 ARG B 6 3.879 7.398 -19.843 1.00 0.00 H new ATOM 97 N PRO B 7 1.568 0.619 -17.645 1.00 0.00 N ATOM 98 CA PRO B 7 1.073 -0.624 -18.207 1.00 0.00 C ATOM 99 C PRO B 7 2.171 -1.324 -18.997 1.00 0.00 C ATOM 100 O PRO B 7 2.896 -0.677 -19.753 1.00 0.00 O ATOM 101 CB PRO B 7 -0.063 -0.216 -19.140 1.00 0.00 C ATOM 102 CG PRO B 7 -0.609 1.042 -18.492 1.00 0.00 C ATOM 103 CD PRO B 7 0.660 1.710 -17.955 1.00 0.00 C ATOM 0 HA PRO B 7 0.742 -1.316 -17.433 1.00 0.00 H new ATOM 0 HB2 PRO B 7 0.296 -0.025 -20.151 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -0.823 -0.994 -19.213 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -1.130 1.676 -19.210 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -1.317 0.814 -17.695 1.00 0.00 H new ATOM 0 HD2 PRO B 7 1.093 2.383 -18.695 1.00 0.00 H new ATOM 0 HD3 PRO B 7 0.445 2.306 -17.068 1.00 0.00 H new ATOM 111 N GLY B 8 2.298 -2.639 -18.829 1.00 0.00 N ATOM 112 CA GLY B 8 3.324 -3.396 -19.514 1.00 0.00 C ATOM 113 C GLY B 8 4.476 -3.669 -18.563 1.00 0.00 C ATOM 114 O GLY B 8 5.341 -4.478 -18.888 1.00 0.00 O ATOM 0 H GLY B 8 1.698 -3.196 -18.221 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.912 -4.336 -19.882 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.680 -2.842 -20.383 1.00 0.00 H new ATOM 118 N LYS B 9 4.503 -3.014 -17.395 1.00 0.00 N ATOM 119 CA LYS B 9 5.551 -3.279 -16.436 1.00 0.00 C ATOM 120 C LYS B 9 5.068 -4.381 -15.516 1.00 0.00 C ATOM 121 O LYS B 9 3.991 -4.282 -14.940 1.00 0.00 O ATOM 122 CB LYS B 9 5.959 -2.027 -15.662 1.00 0.00 C ATOM 123 CG LYS B 9 7.139 -2.410 -14.766 1.00 0.00 C ATOM 124 CD LYS B 9 7.599 -1.251 -13.890 1.00 0.00 C ATOM 125 CE LYS B 9 8.245 -0.156 -14.737 1.00 0.00 C ATOM 126 NZ LYS B 9 8.683 0.980 -13.904 1.00 0.00 N ATOM 0 H LYS B 9 3.820 -2.313 -17.107 1.00 0.00 H new ATOM 0 HA LYS B 9 6.453 -3.599 -16.959 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.240 -1.227 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.126 -1.657 -15.064 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.854 -3.250 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.970 -2.746 -15.387 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.749 -0.841 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.311 -1.611 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.100 -0.566 -15.274 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.535 0.193 -15.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.384 1.543 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.863 1.577 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.111 0.622 -13.026 1.00 0.00 H new ATOM 140 N LEU B 10 5.869 -5.433 -15.379 1.00 0.00 N ATOM 141 CA LEU B 10 5.491 -6.588 -14.594 1.00 0.00 C ATOM 142 C LEU B 10 6.393 -6.710 -13.376 1.00 0.00 C ATOM 143 O LEU B 10 7.534 -6.256 -13.395 1.00 0.00 O ATOM 144 CB LEU B 10 5.591 -7.833 -15.471 1.00 0.00 C ATOM 145 CG LEU B 10 4.555 -7.888 -16.595 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.793 -9.189 -17.356 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.125 -7.910 -16.067 1.00 0.00 C ATOM 0 H LEU B 10 6.791 -5.503 -15.809 1.00 0.00 H new ATOM 0 HA LEU B 10 4.465 -6.479 -14.241 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.589 -7.878 -15.908 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.478 -8.717 -14.843 1.00 0.00 H new ATOM 0 HG LEU B 10 4.667 -7.000 -17.217 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.073 -9.271 -18.171 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.804 -9.193 -17.763 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.672 -10.034 -16.678 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.428 -7.949 -16.905 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.984 -8.788 -15.436 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.939 -7.009 -15.482 1.00 0.00 H new ATOM 159 N PHE B 11 5.863 -7.332 -12.326 1.00 0.00 N ATOM 160 CA PHE B 11 6.601 -7.692 -11.137 1.00 0.00 C ATOM 161 C PHE B 11 6.801 -9.198 -11.170 1.00 0.00 C ATOM 162 O PHE B 11 5.838 -9.946 -11.333 1.00 0.00 O ATOM 163 CB PHE B 11 5.821 -7.268 -9.897 1.00 0.00 C ATOM 164 CG PHE B 11 6.368 -7.887 -8.633 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.556 -7.400 -8.076 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.689 -8.953 -8.024 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.059 -7.972 -6.901 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.200 -9.531 -6.855 1.00 0.00 C ATOM 169 CZ PHE B 11 7.385 -9.036 -6.291 1.00 0.00 C ATOM 0 H PHE B 11 4.881 -7.603 -12.286 1.00 0.00 H new ATOM 0 HA PHE B 11 7.567 -7.189 -11.103 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.848 -6.182 -9.808 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.775 -7.552 -10.014 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.083 -6.586 -8.551 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.773 -9.328 -8.456 1.00 0.00 H new ATOM 0 HE1 PHE B 11 8.970 -7.591 -6.464 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.683 -10.356 -6.389 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.777 -9.476 -5.386 1.00 0.00 H new ATOM 179 N ILE B 12 8.048 -9.643 -11.017 1.00 0.00 N ATOM 180 CA ILE B 12 8.400 -11.043 -11.141 1.00 0.00 C ATOM 181 C ILE B 12 8.982 -11.530 -9.815 1.00 0.00 C ATOM 182 O ILE B 12 10.197 -11.657 -9.685 1.00 0.00 O ATOM 183 CB ILE B 12 9.394 -11.233 -12.294 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.136 -10.378 -13.545 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.387 -12.710 -12.677 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.769 -10.576 -14.198 1.00 0.00 C ATOM 0 H ILE B 12 8.839 -9.035 -10.803 1.00 0.00 H new ATOM 0 HA ILE B 12 7.513 -11.634 -11.369 1.00 0.00 H new ATOM 0 HB ILE B 12 10.362 -10.893 -11.924 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.243 -9.327 -13.276 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.908 -10.599 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.086 -12.877 -13.497 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.686 -13.310 -11.818 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.384 -13.000 -12.991 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.686 -9.929 -15.071 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.660 -11.616 -14.506 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.985 -10.325 -13.484 1.00 0.00 H new ATOM 198 N GLY B 13 8.130 -11.799 -8.822 1.00 0.00 N ATOM 199 CA GLY B 13 8.613 -12.165 -7.495 1.00 0.00 C ATOM 200 C GLY B 13 8.695 -13.675 -7.295 1.00 0.00 C ATOM 201 O GLY B 13 7.860 -14.407 -7.816 1.00 0.00 O ATOM 0 H GLY B 13 7.114 -11.770 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.599 -11.728 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.951 -11.738 -6.741 1.00 0.00 H new ATOM 205 N GLY B 14 9.694 -14.146 -6.545 1.00 0.00 N ATOM 206 CA GLY B 14 9.825 -15.556 -6.188 1.00 0.00 C ATOM 207 C GLY B 14 10.866 -16.255 -7.054 1.00 0.00 C ATOM 208 O GLY B 14 10.977 -17.480 -7.028 1.00 0.00 O ATOM 0 H GLY B 14 10.436 -13.556 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.106 -15.642 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.862 -16.053 -6.302 1.00 0.00 H new ATOM 212 N LEU B 15 11.629 -15.479 -7.826 1.00 0.00 N ATOM 213 CA LEU B 15 12.620 -15.999 -8.748 1.00 0.00 C ATOM 214 C LEU B 15 13.755 -16.718 -8.021 1.00 0.00 C ATOM 215 O LEU B 15 13.938 -16.569 -6.813 1.00 0.00 O ATOM 216 CB LEU B 15 13.221 -14.842 -9.541 1.00 0.00 C ATOM 217 CG LEU B 15 12.237 -14.140 -10.476 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.840 -12.821 -10.943 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.028 -15.025 -11.700 1.00 0.00 C ATOM 0 H LEU B 15 11.569 -14.461 -7.823 1.00 0.00 H new ATOM 0 HA LEU B 15 12.119 -16.713 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.625 -14.110 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.058 -15.217 -10.130 1.00 0.00 H new ATOM 0 HG LEU B 15 11.296 -13.958 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.141 -12.317 -11.610 1.00 0.00 H new ATOM 0 HD12 LEU B 15 13.039 -12.186 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.772 -13.015 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.328 -14.543 -12.382 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.981 -15.177 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.625 -15.988 -11.388 1.00 0.00 H new ATOM 231 N ASN B 16 14.518 -17.508 -8.782 1.00 0.00 N ATOM 232 CA ASN B 16 15.678 -18.209 -8.290 1.00 0.00 C ATOM 233 C ASN B 16 16.842 -17.234 -8.074 1.00 0.00 C ATOM 234 O ASN B 16 16.852 -16.135 -8.628 1.00 0.00 O ATOM 235 CB ASN B 16 16.013 -19.291 -9.303 1.00 0.00 C ATOM 236 CG ASN B 16 16.992 -20.322 -8.795 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.332 -20.374 -7.616 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.448 -21.153 -9.715 1.00 0.00 N ATOM 0 H ASN B 16 14.333 -17.672 -9.771 1.00 0.00 H new ATOM 0 HA ASN B 16 15.482 -18.667 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.093 -19.794 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.424 -18.823 -10.197 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.115 -21.881 -9.459 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.133 -21.067 -10.681 1.00 0.00 H new ATOM 245 N THR B 17 17.827 -17.636 -7.272 1.00 0.00 N ATOM 246 CA THR B 17 19.024 -16.837 -7.032 1.00 0.00 C ATOM 247 C THR B 17 19.960 -16.909 -8.233 1.00 0.00 C ATOM 248 O THR B 17 20.995 -16.246 -8.264 1.00 0.00 O ATOM 249 CB THR B 17 19.741 -17.344 -5.783 1.00 0.00 C ATOM 250 OG1 THR B 17 20.125 -18.691 -5.947 1.00 0.00 O ATOM 251 CG2 THR B 17 18.804 -17.287 -4.581 1.00 0.00 C ATOM 0 H THR B 17 17.816 -18.525 -6.771 1.00 0.00 H new ATOM 0 HA THR B 17 18.729 -15.799 -6.882 1.00 0.00 H new ATOM 0 HB THR B 17 20.616 -16.713 -5.625 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.927 -18.736 -6.508 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.325 -17.651 -3.696 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.485 -16.258 -4.417 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.931 -17.912 -4.770 1.00 0.00 H new ATOM 259 N GLU B 18 19.583 -17.721 -9.223 1.00 0.00 N ATOM 260 CA GLU B 18 20.408 -18.053 -10.368 1.00 0.00 C ATOM 261 C GLU B 18 19.919 -17.328 -11.620 1.00 0.00 C ATOM 262 O GLU B 18 20.573 -17.375 -12.662 1.00 0.00 O ATOM 263 CB GLU B 18 20.336 -19.568 -10.576 1.00 0.00 C ATOM 264 CG GLU B 18 20.431 -20.332 -9.250 1.00 0.00 C ATOM 265 CD GLU B 18 21.801 -20.153 -8.600 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.705 -20.952 -8.940 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.944 -19.228 -7.774 1.00 0.00 O ATOM 0 H GLU B 18 18.669 -18.174 -9.243 1.00 0.00 H new ATOM 0 HA GLU B 18 21.436 -17.739 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.401 -19.822 -11.075 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.145 -19.883 -11.235 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.655 -19.981 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.245 -21.392 -9.425 1.00 0.00 H new ATOM 274 N THR B 19 18.769 -16.657 -11.516 1.00 0.00 N ATOM 275 CA THR B 19 18.156 -15.969 -12.640 1.00 0.00 C ATOM 276 C THR B 19 18.805 -14.607 -12.841 1.00 0.00 C ATOM 277 O THR B 19 19.168 -13.936 -11.874 1.00 0.00 O ATOM 278 CB THR B 19 16.653 -15.812 -12.389 1.00 0.00 C ATOM 279 OG1 THR B 19 16.082 -17.063 -12.089 1.00 0.00 O ATOM 280 CG2 THR B 19 15.945 -15.238 -13.614 1.00 0.00 C ATOM 0 H THR B 19 18.241 -16.579 -10.647 1.00 0.00 H new ATOM 0 HA THR B 19 18.305 -16.558 -13.545 1.00 0.00 H new ATOM 0 HB THR B 19 16.529 -15.127 -11.551 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.121 -16.954 -11.928 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.880 -15.138 -13.405 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.362 -14.259 -13.850 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.087 -15.907 -14.463 1.00 0.00 H new ATOM 288 N ASN B 20 18.948 -14.199 -14.107 1.00 0.00 N ATOM 289 CA ASN B 20 19.447 -12.877 -14.449 1.00 0.00 C ATOM 290 C ASN B 20 18.586 -12.283 -15.552 1.00 0.00 C ATOM 291 O ASN B 20 17.537 -12.821 -15.899 1.00 0.00 O ATOM 292 CB ASN B 20 20.902 -12.911 -14.915 1.00 0.00 C ATOM 293 CG ASN B 20 21.672 -14.102 -14.389 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.269 -14.057 -13.319 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.649 -15.179 -15.161 1.00 0.00 N ATOM 0 H ASN B 20 18.720 -14.779 -14.915 1.00 0.00 H new ATOM 0 HA ASN B 20 19.399 -12.265 -13.549 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.927 -12.924 -16.005 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.400 -11.996 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.144 -16.023 -14.873 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.137 -15.164 -16.043 1.00 0.00 H new ATOM 302 N GLU B 21 19.054 -11.162 -16.099 1.00 0.00 N ATOM 303 CA GLU B 21 18.305 -10.388 -17.075 1.00 0.00 C ATOM 304 C GLU B 21 18.163 -11.155 -18.383 1.00 0.00 C ATOM 305 O GLU B 21 17.133 -11.058 -19.042 1.00 0.00 O ATOM 306 CB GLU B 21 19.031 -9.067 -17.312 1.00 0.00 C ATOM 307 CG GLU B 21 18.935 -8.207 -16.055 1.00 0.00 C ATOM 308 CD GLU B 21 19.868 -7.002 -16.137 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.468 -5.998 -16.770 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.976 -7.094 -15.567 1.00 0.00 O ATOM 0 H GLU B 21 19.967 -10.768 -15.874 1.00 0.00 H new ATOM 0 HA GLU B 21 17.302 -10.198 -16.692 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.076 -9.252 -17.561 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.590 -8.543 -18.160 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.908 -7.867 -15.922 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.188 -8.807 -15.181 1.00 0.00 H new ATOM 317 N LYS B 22 19.187 -11.923 -18.768 1.00 0.00 N ATOM 318 CA LYS B 22 19.151 -12.652 -20.028 1.00 0.00 C ATOM 319 C LYS B 22 18.084 -13.741 -20.003 1.00 0.00 C ATOM 320 O LYS B 22 17.531 -14.092 -21.041 1.00 0.00 O ATOM 321 CB LYS B 22 20.539 -13.239 -20.286 1.00 0.00 C ATOM 322 CG LYS B 22 20.597 -14.066 -21.574 1.00 0.00 C ATOM 323 CD LYS B 22 20.031 -13.281 -22.763 1.00 0.00 C ATOM 324 CE LYS B 22 20.253 -14.045 -24.070 1.00 0.00 C ATOM 325 NZ LYS B 22 19.519 -15.326 -24.085 1.00 0.00 N ATOM 0 H LYS B 22 20.042 -12.052 -18.227 1.00 0.00 H new ATOM 0 HA LYS B 22 18.886 -11.973 -20.838 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.267 -12.430 -20.345 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.827 -13.866 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.629 -14.350 -21.781 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.032 -14.989 -21.442 1.00 0.00 H new ATOM 0 HD2 LYS B 22 18.965 -13.105 -22.615 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.510 -12.304 -22.821 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.930 -13.430 -24.910 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.318 -14.234 -24.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 19.596 -15.759 -25.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.926 -15.967 -23.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 18.517 -15.155 -23.864 1.00 0.00 H new ATOM 339 N ALA B 23 17.786 -14.282 -18.823 1.00 0.00 N ATOM 340 CA ALA B 23 16.816 -15.359 -18.704 1.00 0.00 C ATOM 341 C ALA B 23 15.424 -14.745 -18.576 1.00 0.00 C ATOM 342 O ALA B 23 14.416 -15.396 -18.836 1.00 0.00 O ATOM 343 CB ALA B 23 17.163 -16.211 -17.481 1.00 0.00 C ATOM 0 H ALA B 23 18.204 -13.990 -17.939 1.00 0.00 H new ATOM 0 HA ALA B 23 16.836 -16.002 -19.584 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.440 -17.021 -17.385 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.163 -16.629 -17.601 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.134 -15.591 -16.585 1.00 0.00 H new ATOM 349 N LEU B 24 15.391 -13.479 -18.173 1.00 0.00 N ATOM 350 CA LEU B 24 14.186 -12.728 -17.897 1.00 0.00 C ATOM 351 C LEU B 24 13.701 -12.058 -19.177 1.00 0.00 C ATOM 352 O LEU B 24 12.507 -11.838 -19.358 1.00 0.00 O ATOM 353 CB LEU B 24 14.590 -11.714 -16.823 1.00 0.00 C ATOM 354 CG LEU B 24 14.090 -12.168 -15.459 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.830 -11.459 -14.331 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.605 -11.860 -15.334 1.00 0.00 C ATOM 0 H LEU B 24 16.240 -12.933 -18.026 1.00 0.00 H new ATOM 0 HA LEU B 24 13.359 -13.347 -17.547 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.674 -11.606 -16.804 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.176 -10.735 -17.063 1.00 0.00 H new ATOM 0 HG LEU B 24 14.270 -13.240 -15.377 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.448 -11.806 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.895 -11.680 -14.400 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.676 -10.383 -14.415 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.247 -12.185 -14.357 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.446 -10.787 -15.440 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.057 -12.387 -16.115 1.00 0.00 H new ATOM 368 N GLU B 25 14.630 -11.739 -20.072 1.00 0.00 N ATOM 369 CA GLU B 25 14.273 -11.232 -21.386 1.00 0.00 C ATOM 370 C GLU B 25 13.888 -12.384 -22.299 1.00 0.00 C ATOM 371 O GLU B 25 13.078 -12.234 -23.212 1.00 0.00 O ATOM 372 CB GLU B 25 15.465 -10.515 -22.021 1.00 0.00 C ATOM 373 CG GLU B 25 15.734 -9.213 -21.290 1.00 0.00 C ATOM 374 CD GLU B 25 16.823 -8.399 -21.985 1.00 0.00 C ATOM 375 OE1 GLU B 25 18.015 -8.681 -21.723 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.459 -7.500 -22.774 1.00 0.00 O ATOM 0 H GLU B 25 15.633 -11.823 -19.909 1.00 0.00 H new ATOM 0 HA GLU B 25 13.438 -10.542 -21.265 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.348 -11.153 -21.981 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.262 -10.316 -23.073 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.817 -8.627 -21.238 1.00 0.00 H new ATOM 0 HG3 GLU B 25 16.035 -9.425 -20.264 1.00 0.00 H new ATOM 383 N ALA B 26 14.486 -13.542 -22.037 1.00 0.00 N ATOM 384 CA ALA B 26 14.322 -14.723 -22.863 1.00 0.00 C ATOM 385 C ALA B 26 13.015 -15.437 -22.546 1.00 0.00 C ATOM 386 O ALA B 26 12.495 -16.173 -23.383 1.00 0.00 O ATOM 387 CB ALA B 26 15.494 -15.652 -22.580 1.00 0.00 C ATOM 0 H ALA B 26 15.103 -13.683 -21.237 1.00 0.00 H new ATOM 0 HA ALA B 26 14.295 -14.434 -23.914 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.400 -16.552 -23.187 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.427 -15.145 -22.825 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.495 -15.925 -21.525 1.00 0.00 H new ATOM 393 N VAL B 27 12.484 -15.224 -21.338 1.00 0.00 N ATOM 394 CA VAL B 27 11.304 -15.927 -20.870 1.00 0.00 C ATOM 395 C VAL B 27 10.035 -15.087 -20.964 1.00 0.00 C ATOM 396 O VAL B 27 8.954 -15.607 -21.224 1.00 0.00 O ATOM 397 CB VAL B 27 11.583 -16.344 -19.440 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.487 -15.175 -18.475 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.625 -17.422 -18.968 1.00 0.00 C ATOM 0 H VAL B 27 12.865 -14.559 -20.665 1.00 0.00 H new ATOM 0 HA VAL B 27 11.116 -16.792 -21.506 1.00 0.00 H new ATOM 0 HB VAL B 27 12.602 -16.732 -19.443 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.694 -15.521 -17.462 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.214 -14.412 -18.754 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.483 -14.752 -18.515 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.860 -17.692 -17.938 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.602 -17.049 -19.021 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.724 -18.301 -19.605 1.00 0.00 H new ATOM 409 N PHE B 28 10.167 -13.781 -20.752 1.00 0.00 N ATOM 410 CA PHE B 28 9.034 -12.882 -20.898 1.00 0.00 C ATOM 411 C PHE B 28 8.979 -12.283 -22.296 1.00 0.00 C ATOM 412 O PHE B 28 7.987 -11.658 -22.663 1.00 0.00 O ATOM 413 CB PHE B 28 9.054 -11.814 -19.811 1.00 0.00 C ATOM 414 CG PHE B 28 8.784 -12.379 -18.437 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.471 -12.681 -18.047 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.844 -12.616 -17.554 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.223 -13.231 -16.783 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.602 -13.174 -16.293 1.00 0.00 C ATOM 419 CZ PHE B 28 8.290 -13.477 -15.905 1.00 0.00 C ATOM 0 H PHE B 28 11.040 -13.328 -20.481 1.00 0.00 H new ATOM 0 HA PHE B 28 8.118 -13.459 -20.771 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.025 -11.318 -19.812 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.308 -11.053 -20.040 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.650 -12.489 -18.722 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.853 -12.367 -17.847 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.212 -13.466 -16.484 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.424 -13.370 -15.621 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.100 -13.900 -14.930 1.00 0.00 H new ATOM 429 N GLY B 29 10.039 -12.475 -23.087 1.00 0.00 N ATOM 430 CA GLY B 29 10.037 -12.018 -24.471 1.00 0.00 C ATOM 431 C GLY B 29 9.197 -12.950 -25.338 1.00 0.00 C ATOM 432 O GLY B 29 9.010 -12.703 -26.527 1.00 0.00 O ATOM 0 H GLY B 29 10.898 -12.939 -22.793 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.640 -11.004 -24.525 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.058 -11.981 -24.850 1.00 0.00 H new ATOM 436 N LYS B 30 8.693 -14.023 -24.725 1.00 0.00 N ATOM 437 CA LYS B 30 7.885 -15.041 -25.372 1.00 0.00 C ATOM 438 C LYS B 30 6.438 -14.592 -25.501 1.00 0.00 C ATOM 439 O LYS B 30 5.656 -15.202 -26.228 1.00 0.00 O ATOM 440 CB LYS B 30 7.975 -16.310 -24.522 1.00 0.00 C ATOM 441 CG LYS B 30 9.439 -16.714 -24.332 1.00 0.00 C ATOM 442 CD LYS B 30 9.616 -17.891 -23.364 1.00 0.00 C ATOM 443 CE LYS B 30 8.751 -19.093 -23.734 1.00 0.00 C ATOM 444 NZ LYS B 30 9.133 -19.661 -25.042 1.00 0.00 N ATOM 0 H LYS B 30 8.845 -14.207 -23.733 1.00 0.00 H new ATOM 0 HA LYS B 30 8.255 -15.225 -26.381 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.508 -16.141 -23.552 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.426 -17.119 -25.004 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.865 -16.979 -25.299 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.001 -15.857 -23.960 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.664 -18.192 -23.352 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.366 -17.566 -22.354 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.844 -19.859 -22.964 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.703 -18.793 -23.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.534 -20.485 -25.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.004 -18.943 -25.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.130 -19.955 -25.015 1.00 0.00 H new ATOM 458 N TYR B 31 6.094 -13.522 -24.787 1.00 0.00 N ATOM 459 CA TYR B 31 4.739 -12.994 -24.747 1.00 0.00 C ATOM 460 C TYR B 31 4.617 -11.634 -25.431 1.00 0.00 C ATOM 461 O TYR B 31 3.510 -11.229 -25.786 1.00 0.00 O ATOM 462 CB TYR B 31 4.328 -12.906 -23.283 1.00 0.00 C ATOM 463 CG TYR B 31 4.425 -14.233 -22.569 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.457 -15.217 -22.797 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.495 -14.480 -21.688 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.572 -16.468 -22.177 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.612 -15.730 -21.058 1.00 0.00 C ATOM 468 CZ TYR B 31 4.662 -16.740 -21.330 1.00 0.00 C ATOM 469 OH TYR B 31 4.791 -17.980 -20.783 1.00 0.00 O ATOM 0 H TYR B 31 6.756 -12.996 -24.217 1.00 0.00 H new ATOM 0 HA TYR B 31 4.077 -13.660 -25.300 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.961 -12.178 -22.775 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.304 -12.538 -23.219 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.622 -15.012 -23.450 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.226 -13.708 -21.497 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.822 -17.226 -22.350 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.423 -15.918 -20.370 1.00 0.00 H new ATOM 0 HH TYR B 31 5.741 -18.180 -20.645 1.00 0.00 H new ATOM 479 N GLY B 32 5.735 -10.926 -25.619 1.00 0.00 N ATOM 480 CA GLY B 32 5.714 -9.619 -26.255 1.00 0.00 C ATOM 481 C GLY B 32 7.098 -9.030 -26.410 1.00 0.00 C ATOM 482 O GLY B 32 8.053 -9.477 -25.773 1.00 0.00 O ATOM 0 H GLY B 32 6.663 -11.242 -25.337 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.246 -9.703 -27.236 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.098 -8.941 -25.665 1.00 0.00 H new ATOM 486 N ARG B 33 7.202 -8.014 -27.270 1.00 0.00 N ATOM 487 CA ARG B 33 8.436 -7.303 -27.466 1.00 0.00 C ATOM 488 C ARG B 33 8.780 -6.535 -26.202 1.00 0.00 C ATOM 489 O ARG B 33 8.061 -5.628 -25.789 1.00 0.00 O ATOM 490 CB ARG B 33 8.281 -6.375 -28.665 1.00 0.00 C ATOM 491 CG ARG B 33 9.665 -5.990 -29.166 1.00 0.00 C ATOM 492 CD ARG B 33 9.559 -5.076 -30.386 1.00 0.00 C ATOM 493 NE ARG B 33 10.886 -4.715 -30.895 1.00 0.00 N ATOM 494 CZ ARG B 33 11.089 -3.934 -31.959 1.00 0.00 C ATOM 495 NH1 ARG B 33 10.060 -3.416 -32.628 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.326 -3.661 -32.361 1.00 0.00 N ATOM 0 H ARG B 33 6.428 -7.674 -27.841 1.00 0.00 H new ATOM 0 HA ARG B 33 9.254 -7.994 -27.669 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.717 -6.870 -29.456 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.720 -5.484 -28.383 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.217 -5.485 -28.373 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.227 -6.887 -29.425 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.990 -5.576 -31.170 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.010 -4.172 -30.120 1.00 0.00 H new ATOM 0 HE ARG B 33 11.703 -5.082 -30.407 1.00 0.00 H new ATOM 0 HH11 ARG B 33 9.105 -3.615 -32.329 1.00 0.00 H new ATOM 0 HH12 ARG B 33 10.227 -2.821 -33.439 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.123 -4.048 -31.856 1.00 0.00 H new ATOM 0 HH22 ARG B 33 12.478 -3.064 -33.174 1.00 0.00 H new ATOM 510 N ILE B 34 9.896 -6.921 -25.597 1.00 0.00 N ATOM 511 CA ILE B 34 10.415 -6.263 -24.409 1.00 0.00 C ATOM 512 C ILE B 34 11.041 -4.929 -24.792 1.00 0.00 C ATOM 513 O ILE B 34 11.689 -4.817 -25.830 1.00 0.00 O ATOM 514 CB ILE B 34 11.409 -7.192 -23.710 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.632 -8.421 -23.214 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.111 -6.471 -22.557 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.491 -9.341 -22.350 1.00 0.00 C ATOM 0 H ILE B 34 10.467 -7.702 -25.919 1.00 0.00 H new ATOM 0 HA ILE B 34 9.608 -6.052 -23.708 1.00 0.00 H new ATOM 0 HB ILE B 34 12.190 -7.504 -24.404 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.765 -8.093 -22.640 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.254 -8.979 -24.071 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.813 -7.152 -22.075 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.651 -5.607 -22.943 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.370 -6.140 -21.830 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.896 -10.194 -22.024 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.344 -9.693 -22.930 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.847 -8.793 -21.478 1.00 0.00 H new ATOM 529 N VAL B 35 10.840 -3.925 -23.936 1.00 0.00 N ATOM 530 CA VAL B 35 11.414 -2.596 -24.119 1.00 0.00 C ATOM 531 C VAL B 35 12.402 -2.298 -22.998 1.00 0.00 C ATOM 532 O VAL B 35 13.269 -1.439 -23.152 1.00 0.00 O ATOM 533 CB VAL B 35 10.311 -1.528 -24.181 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.421 -0.767 -25.503 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.900 -2.108 -24.078 1.00 0.00 C ATOM 0 H VAL B 35 10.272 -4.014 -23.094 1.00 0.00 H new ATOM 0 HA VAL B 35 11.949 -2.573 -25.068 1.00 0.00 H new ATOM 0 HB VAL B 35 10.462 -0.874 -23.322 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.640 -0.008 -25.552 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.398 -0.288 -25.567 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.303 -1.462 -26.334 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.170 -1.300 -24.128 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.731 -2.802 -24.901 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.792 -2.636 -23.131 1.00 0.00 H new ATOM 545 N GLU B 36 12.273 -3.008 -21.872 1.00 0.00 N ATOM 546 CA GLU B 36 13.185 -2.885 -20.746 1.00 0.00 C ATOM 547 C GLU B 36 13.045 -4.109 -19.844 1.00 0.00 C ATOM 548 O GLU B 36 11.966 -4.691 -19.763 1.00 0.00 O ATOM 549 CB GLU B 36 12.852 -1.608 -19.967 1.00 0.00 C ATOM 550 CG GLU B 36 13.815 -1.395 -18.802 1.00 0.00 C ATOM 551 CD GLU B 36 13.571 -0.050 -18.127 1.00 0.00 C ATOM 552 OE1 GLU B 36 12.690 0.001 -17.239 1.00 0.00 O ATOM 553 OE2 GLU B 36 14.264 0.922 -18.506 1.00 0.00 O ATOM 0 H GLU B 36 11.526 -3.686 -21.722 1.00 0.00 H new ATOM 0 HA GLU B 36 14.213 -2.827 -21.103 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.896 -0.750 -20.638 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.831 -1.667 -19.590 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.694 -2.198 -18.075 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.843 -1.444 -19.162 1.00 0.00 H new ATOM 560 N VAL B 37 14.123 -4.499 -19.165 1.00 0.00 N ATOM 561 CA VAL B 37 14.070 -5.538 -18.143 1.00 0.00 C ATOM 562 C VAL B 37 14.882 -5.108 -16.935 1.00 0.00 C ATOM 563 O VAL B 37 15.917 -4.455 -17.060 1.00 0.00 O ATOM 564 CB VAL B 37 14.519 -6.905 -18.683 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.144 -7.797 -17.607 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.298 -7.652 -19.205 1.00 0.00 C ATOM 0 H VAL B 37 15.053 -4.104 -19.308 1.00 0.00 H new ATOM 0 HA VAL B 37 13.032 -5.666 -17.835 1.00 0.00 H new ATOM 0 HB VAL B 37 15.262 -6.706 -19.455 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.441 -8.748 -18.050 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.021 -7.302 -17.188 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.416 -7.977 -16.816 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.604 -8.624 -19.591 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.583 -7.792 -18.394 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.832 -7.075 -20.004 1.00 0.00 H new ATOM 576 N LEU B 38 14.388 -5.494 -15.758 1.00 0.00 N ATOM 577 CA LEU B 38 15.057 -5.271 -14.489 1.00 0.00 C ATOM 578 C LEU B 38 15.316 -6.615 -13.839 1.00 0.00 C ATOM 579 O LEU B 38 14.626 -7.594 -14.112 1.00 0.00 O ATOM 580 CB LEU B 38 14.143 -4.440 -13.601 1.00 0.00 C ATOM 581 CG LEU B 38 14.450 -2.941 -13.663 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.372 -2.178 -12.905 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.789 -2.622 -13.009 1.00 0.00 C ATOM 0 H LEU B 38 13.495 -5.979 -15.665 1.00 0.00 H new ATOM 0 HA LEU B 38 16.001 -4.747 -14.636 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.108 -4.606 -13.898 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.237 -4.782 -12.570 1.00 0.00 H new ATOM 0 HG LEU B 38 14.482 -2.650 -14.713 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.585 -1.110 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.401 -2.372 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.357 -2.506 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.977 -1.550 -13.070 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.765 -2.928 -11.963 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.584 -3.160 -13.526 1.00 0.00 H new ATOM 595 N LEU B 39 16.318 -6.651 -12.971 1.00 0.00 N ATOM 596 CA LEU B 39 16.600 -7.815 -12.171 1.00 0.00 C ATOM 597 C LEU B 39 17.265 -7.305 -10.906 1.00 0.00 C ATOM 598 O LEU B 39 18.331 -6.688 -10.972 1.00 0.00 O ATOM 599 CB LEU B 39 17.480 -8.752 -12.999 1.00 0.00 C ATOM 600 CG LEU B 39 17.947 -10.039 -12.316 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.223 -9.810 -11.509 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.891 -10.679 -11.425 1.00 0.00 C ATOM 0 H LEU B 39 16.953 -5.870 -12.808 1.00 0.00 H new ATOM 0 HA LEU B 39 15.718 -8.388 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.932 -9.025 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.362 -8.197 -13.318 1.00 0.00 H new ATOM 0 HG LEU B 39 18.146 -10.736 -13.130 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.527 -10.744 -11.037 1.00 0.00 H new ATOM 0 HD12 LEU B 39 20.016 -9.463 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU B 39 19.038 -9.059 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.295 -11.586 -10.976 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.607 -9.980 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU B 39 16.014 -10.930 -12.022 1.00 0.00 H new ATOM 614 N MET B 40 16.646 -7.558 -9.754 1.00 0.00 N ATOM 615 CA MET B 40 17.105 -6.932 -8.530 1.00 0.00 C ATOM 616 C MET B 40 18.098 -7.842 -7.829 1.00 0.00 C ATOM 617 O MET B 40 17.893 -9.053 -7.784 1.00 0.00 O ATOM 618 CB MET B 40 15.927 -6.573 -7.620 1.00 0.00 C ATOM 619 CG MET B 40 14.745 -5.914 -8.346 1.00 0.00 C ATOM 620 SD MET B 40 15.088 -5.005 -9.879 1.00 0.00 S ATOM 621 CE MET B 40 16.211 -3.722 -9.283 1.00 0.00 C ATOM 0 H MET B 40 15.844 -8.179 -9.649 1.00 0.00 H new ATOM 0 HA MET B 40 17.611 -5.999 -8.778 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.575 -7.479 -7.126 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.279 -5.900 -6.838 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.017 -6.693 -8.575 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.267 -5.226 -7.649 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.821 -2.742 -9.557 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.296 -3.788 -8.198 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.194 -3.861 -9.734 1.00 0.00 H new ATOM 631 N LYS B 41 19.171 -7.265 -7.279 1.00 0.00 N ATOM 632 CA LYS B 41 20.154 -8.022 -6.520 1.00 0.00 C ATOM 633 C LYS B 41 20.802 -7.172 -5.435 1.00 0.00 C ATOM 634 O LYS B 41 20.877 -5.946 -5.546 1.00 0.00 O ATOM 635 CB LYS B 41 21.217 -8.658 -7.426 1.00 0.00 C ATOM 636 CG LYS B 41 21.365 -7.962 -8.776 1.00 0.00 C ATOM 637 CD LYS B 41 22.554 -8.546 -9.537 1.00 0.00 C ATOM 638 CE LYS B 41 22.663 -7.870 -10.901 1.00 0.00 C ATOM 639 NZ LYS B 41 23.801 -8.413 -11.673 1.00 0.00 N ATOM 0 H LYS B 41 19.376 -6.268 -7.350 1.00 0.00 H new ATOM 0 HA LYS B 41 19.614 -8.833 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.178 -8.642 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS B 41 20.962 -9.705 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.453 -8.085 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.507 -6.891 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.473 -8.396 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.428 -9.622 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.738 -8.017 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.788 -6.795 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.853 -7.937 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.685 -8.251 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.667 -9.434 -11.817 1.00 0.00 H new ATOM 653 N ASP B 42 21.268 -7.843 -4.382 1.00 0.00 N ATOM 654 CA ASP B 42 21.910 -7.229 -3.230 1.00 0.00 C ATOM 655 C ASP B 42 23.241 -6.568 -3.600 1.00 0.00 C ATOM 656 O ASP B 42 23.806 -6.846 -4.655 1.00 0.00 O ATOM 657 CB ASP B 42 22.108 -8.317 -2.175 1.00 0.00 C ATOM 658 CG ASP B 42 22.176 -7.728 -0.768 1.00 0.00 C ATOM 659 OD1 ASP B 42 23.268 -7.238 -0.407 1.00 0.00 O ATOM 660 OD2 ASP B 42 21.138 -7.773 -0.070 1.00 0.00 O ATOM 0 H ASP B 42 21.205 -8.858 -4.309 1.00 0.00 H new ATOM 0 HA ASP B 42 21.277 -6.432 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP B 42 21.288 -9.033 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP B 42 23.026 -8.866 -2.385 1.00 0.00 H new ATOM 665 N ARG B 43 23.747 -5.687 -2.730 1.00 0.00 N ATOM 666 CA ARG B 43 25.009 -4.989 -2.959 1.00 0.00 C ATOM 667 C ARG B 43 26.151 -5.592 -2.138 1.00 0.00 C ATOM 668 O ARG B 43 27.305 -5.212 -2.325 1.00 0.00 O ATOM 669 CB ARG B 43 24.846 -3.498 -2.667 1.00 0.00 C ATOM 670 CG ARG B 43 24.456 -3.241 -1.211 1.00 0.00 C ATOM 671 CD ARG B 43 24.627 -1.763 -0.862 1.00 0.00 C ATOM 672 NE ARG B 43 23.767 -0.908 -1.690 1.00 0.00 N ATOM 673 CZ ARG B 43 24.214 -0.018 -2.582 1.00 0.00 C ATOM 674 NH1 ARG B 43 25.517 0.137 -2.805 1.00 0.00 N ATOM 675 NH2 ARG B 43 23.350 0.729 -3.262 1.00 0.00 N ATOM 0 H ARG B 43 23.292 -5.441 -1.851 1.00 0.00 H new ATOM 0 HA ARG B 43 25.276 -5.112 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG B 43 25.779 -2.980 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG B 43 24.085 -3.080 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG B 43 23.421 -3.542 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG B 43 25.073 -3.850 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG B 43 24.390 -1.608 0.191 1.00 0.00 H new ATOM 0 HD3 ARG B 43 25.669 -1.474 -1.000 1.00 0.00 H new ATOM 0 HE ARG B 43 22.757 -1.000 -1.577 1.00 0.00 H new ATOM 0 HH11 ARG B 43 26.193 -0.428 -2.291 1.00 0.00 H new ATOM 0 HH12 ARG B 43 25.839 0.821 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG B 43 22.348 0.623 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG B 43 23.689 1.409 -3.943 1.00 0.00 H new ATOM 689 N GLU B 44 25.837 -6.523 -1.233 1.00 0.00 N ATOM 690 CA GLU B 44 26.834 -7.195 -0.407 1.00 0.00 C ATOM 691 C GLU B 44 27.069 -8.626 -0.880 1.00 0.00 C ATOM 692 O GLU B 44 28.053 -9.250 -0.479 1.00 0.00 O ATOM 693 CB GLU B 44 26.378 -7.199 1.053 1.00 0.00 C ATOM 694 CG GLU B 44 26.255 -5.779 1.604 1.00 0.00 C ATOM 695 CD GLU B 44 25.903 -5.805 3.092 1.00 0.00 C ATOM 696 OE1 GLU B 44 26.831 -6.025 3.903 1.00 0.00 O ATOM 697 OE2 GLU B 44 24.708 -5.602 3.410 1.00 0.00 O ATOM 0 H GLU B 44 24.881 -6.830 -1.055 1.00 0.00 H new ATOM 0 HA GLU B 44 27.774 -6.650 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU B 44 25.417 -7.707 1.134 1.00 0.00 H new ATOM 0 HB3 GLU B 44 27.089 -7.764 1.656 1.00 0.00 H new ATOM 0 HG2 GLU B 44 27.193 -5.244 1.456 1.00 0.00 H new ATOM 0 HG3 GLU B 44 25.488 -5.235 1.053 1.00 0.00 H new ATOM 704 N THR B 45 26.181 -9.154 -1.728 1.00 0.00 N ATOM 705 CA THR B 45 26.315 -10.505 -2.263 1.00 0.00 C ATOM 706 C THR B 45 26.090 -10.540 -3.760 1.00 0.00 C ATOM 707 O THR B 45 26.408 -11.548 -4.388 1.00 0.00 O ATOM 708 CB THR B 45 25.301 -11.447 -1.618 1.00 0.00 C ATOM 709 OG1 THR B 45 23.997 -11.050 -1.979 1.00 0.00 O ATOM 710 CG2 THR B 45 25.421 -11.408 -0.108 1.00 0.00 C ATOM 0 H THR B 45 25.354 -8.657 -2.059 1.00 0.00 H new ATOM 0 HA THR B 45 27.332 -10.826 -2.039 1.00 0.00 H new ATOM 0 HB THR B 45 25.500 -12.460 -1.967 1.00 0.00 H new ATOM 0 HG1 THR B 45 23.344 -11.549 -1.446 1.00 0.00 H new ATOM 0 HG21 THR B 45 24.690 -12.086 0.333 1.00 0.00 H new ATOM 0 HG22 THR B 45 26.425 -11.716 0.185 1.00 0.00 H new ATOM 0 HG23 THR B 45 25.235 -10.394 0.246 1.00 0.00 H new ATOM 718 N ASN B 46 25.550 -9.460 -4.335 1.00 0.00 N ATOM 719 CA ASN B 46 25.258 -9.425 -5.759 1.00 0.00 C ATOM 720 C ASN B 46 24.284 -10.538 -6.165 1.00 0.00 C ATOM 721 O ASN B 46 24.116 -10.813 -7.353 1.00 0.00 O ATOM 722 CB ASN B 46 26.576 -9.451 -6.535 1.00 0.00 C ATOM 723 CG ASN B 46 27.388 -8.189 -6.292 1.00 0.00 C ATOM 724 OD1 ASN B 46 28.372 -8.204 -5.559 1.00 0.00 O ATOM 725 ND2 ASN B 46 26.983 -7.084 -6.909 1.00 0.00 N ATOM 0 H ASN B 46 25.310 -8.605 -3.833 1.00 0.00 H new ATOM 0 HA ASN B 46 24.742 -8.498 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN B 46 27.158 -10.323 -6.237 1.00 0.00 H new ATOM 0 HB3 ASN B 46 26.371 -9.554 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN B 46 27.495 -6.211 -6.780 1.00 0.00 H new ATOM 0 HD22 ASN B 46 26.160 -7.109 -7.511 1.00 0.00 H new ATOM 732 N LYS B 47 23.645 -11.177 -5.178 1.00 0.00 N ATOM 733 CA LYS B 47 22.654 -12.217 -5.409 1.00 0.00 C ATOM 734 C LYS B 47 21.298 -11.584 -5.629 1.00 0.00 C ATOM 735 O LYS B 47 20.982 -10.556 -5.037 1.00 0.00 O ATOM 736 CB LYS B 47 22.581 -13.154 -4.204 1.00 0.00 C ATOM 737 CG LYS B 47 23.818 -14.043 -4.145 1.00 0.00 C ATOM 738 CD LYS B 47 23.719 -15.221 -5.113 1.00 0.00 C ATOM 739 CE LYS B 47 24.980 -16.078 -5.005 1.00 0.00 C ATOM 740 NZ LYS B 47 26.171 -15.359 -5.501 1.00 0.00 N ATOM 0 H LYS B 47 23.808 -10.980 -4.191 1.00 0.00 H new ATOM 0 HA LYS B 47 22.943 -12.789 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS B 47 22.501 -12.571 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS B 47 21.685 -13.771 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS B 47 24.702 -13.451 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS B 47 23.948 -14.417 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS B 47 22.838 -15.821 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS B 47 23.600 -14.858 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS B 47 25.136 -16.367 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS B 47 24.846 -16.997 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 26.947 -16.035 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 25.943 -14.887 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 26.464 -14.648 -4.801 1.00 0.00 H new ATOM 754 N SER B 48 20.504 -12.215 -6.488 1.00 0.00 N ATOM 755 CA SER B 48 19.162 -11.753 -6.793 1.00 0.00 C ATOM 756 C SER B 48 18.356 -11.560 -5.509 1.00 0.00 C ATOM 757 O SER B 48 18.440 -12.374 -4.588 1.00 0.00 O ATOM 758 CB SER B 48 18.473 -12.752 -7.719 1.00 0.00 C ATOM 759 OG SER B 48 19.275 -12.954 -8.864 1.00 0.00 O ATOM 0 H SER B 48 20.776 -13.060 -6.990 1.00 0.00 H new ATOM 0 HA SER B 48 19.224 -10.789 -7.298 1.00 0.00 H new ATOM 0 HB2 SER B 48 18.314 -13.697 -7.200 1.00 0.00 H new ATOM 0 HB3 SER B 48 17.491 -12.379 -8.009 1.00 0.00 H new ATOM 0 HG SER B 48 18.837 -13.596 -9.461 1.00 0.00 H new ATOM 765 N ARG B 49 17.571 -10.480 -5.453 1.00 0.00 N ATOM 766 CA ARG B 49 16.715 -10.169 -4.316 1.00 0.00 C ATOM 767 C ARG B 49 15.511 -11.108 -4.312 1.00 0.00 C ATOM 768 O ARG B 49 14.676 -11.045 -3.412 1.00 0.00 O ATOM 769 CB ARG B 49 16.264 -8.704 -4.391 1.00 0.00 C ATOM 770 CG ARG B 49 17.435 -7.715 -4.400 1.00 0.00 C ATOM 771 CD ARG B 49 17.511 -6.843 -3.145 1.00 0.00 C ATOM 772 NE ARG B 49 16.403 -5.885 -3.068 1.00 0.00 N ATOM 773 CZ ARG B 49 15.430 -5.918 -2.155 1.00 0.00 C ATOM 774 NH1 ARG B 49 15.380 -6.874 -1.232 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.485 -4.983 -2.164 1.00 0.00 N ATOM 0 H ARG B 49 17.515 -9.794 -6.205 1.00 0.00 H new ATOM 0 HA ARG B 49 17.270 -10.310 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.667 -8.559 -5.291 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.617 -8.485 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.367 -8.270 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.349 -7.071 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.500 -7.480 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.458 -6.303 -3.137 1.00 0.00 H new ATOM 0 HE ARG B 49 16.374 -5.139 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG B 49 16.095 -7.602 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG B 49 14.627 -6.880 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.505 -4.244 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG B 49 13.740 -5.005 -1.468 1.00 0.00 H new ATOM 789 N GLY B 50 15.424 -11.980 -5.325 1.00 0.00 N ATOM 790 CA GLY B 50 14.347 -12.941 -5.488 1.00 0.00 C ATOM 791 C GLY B 50 13.167 -12.352 -6.251 1.00 0.00 C ATOM 792 O GLY B 50 12.166 -13.034 -6.437 1.00 0.00 O ATOM 0 H GLY B 50 16.122 -12.031 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.720 -13.817 -6.018 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.012 -13.280 -4.508 1.00 0.00 H new ATOM 796 N PHE B 51 13.265 -11.096 -6.700 1.00 0.00 N ATOM 797 CA PHE B 51 12.226 -10.504 -7.529 1.00 0.00 C ATOM 798 C PHE B 51 12.847 -9.606 -8.596 1.00 0.00 C ATOM 799 O PHE B 51 14.004 -9.199 -8.487 1.00 0.00 O ATOM 800 CB PHE B 51 11.205 -9.764 -6.667 1.00 0.00 C ATOM 801 CG PHE B 51 11.704 -8.501 -6.002 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.450 -8.573 -4.817 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.401 -7.255 -6.569 1.00 0.00 C ATOM 804 CE1 PHE B 51 12.882 -7.397 -4.191 1.00 0.00 C ATOM 805 CE2 PHE B 51 11.821 -6.080 -5.935 1.00 0.00 C ATOM 806 CZ PHE B 51 12.572 -6.151 -4.758 1.00 0.00 C ATOM 0 H PHE B 51 14.051 -10.478 -6.501 1.00 0.00 H new ATOM 0 HA PHE B 51 11.687 -11.297 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.347 -9.511 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE B 51 10.849 -10.444 -5.893 1.00 0.00 H new ATOM 0 HD1 PHE B 51 12.691 -9.534 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.845 -7.202 -7.493 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.452 -7.449 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.565 -5.119 -6.355 1.00 0.00 H new ATOM 0 HZ PHE B 51 12.915 -5.244 -4.283 1.00 0.00 H new ATOM 816 N ALA B 52 12.065 -9.298 -9.633 1.00 0.00 N ATOM 817 CA ALA B 52 12.534 -8.526 -10.768 1.00 0.00 C ATOM 818 C ALA B 52 11.367 -7.823 -11.457 1.00 0.00 C ATOM 819 O ALA B 52 10.227 -7.925 -11.005 1.00 0.00 O ATOM 820 CB ALA B 52 13.214 -9.492 -11.738 1.00 0.00 C ATOM 0 H ALA B 52 11.088 -9.581 -9.702 1.00 0.00 H new ATOM 0 HA ALA B 52 13.235 -7.759 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.579 -8.941 -12.605 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.052 -9.979 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.497 -10.246 -12.063 1.00 0.00 H new ATOM 826 N PHE B 53 11.652 -7.109 -12.550 1.00 0.00 N ATOM 827 CA PHE B 53 10.630 -6.400 -13.306 1.00 0.00 C ATOM 828 C PHE B 53 10.912 -6.508 -14.804 1.00 0.00 C ATOM 829 O PHE B 53 12.023 -6.829 -15.213 1.00 0.00 O ATOM 830 CB PHE B 53 10.563 -4.935 -12.864 1.00 0.00 C ATOM 831 CG PHE B 53 10.276 -4.741 -11.396 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.312 -4.909 -10.471 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.990 -4.394 -10.965 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.059 -4.761 -9.106 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.733 -4.247 -9.595 1.00 0.00 C ATOM 836 CZ PHE B 53 9.766 -4.441 -8.665 1.00 0.00 C ATOM 0 H PHE B 53 12.594 -7.010 -12.929 1.00 0.00 H new ATOM 0 HA PHE B 53 9.661 -6.858 -13.108 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.510 -4.452 -13.104 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.791 -4.428 -13.443 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.307 -5.153 -10.813 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.200 -4.240 -11.685 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.857 -4.893 -8.391 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.742 -3.985 -9.256 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.565 -4.344 -7.608 1.00 0.00 H new ATOM 846 N VAL B 54 9.900 -6.239 -15.631 1.00 0.00 N ATOM 847 CA VAL B 54 10.048 -6.253 -17.082 1.00 0.00 C ATOM 848 C VAL B 54 9.010 -5.334 -17.701 1.00 0.00 C ATOM 849 O VAL B 54 7.864 -5.319 -17.258 1.00 0.00 O ATOM 850 CB VAL B 54 9.902 -7.679 -17.631 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.669 -8.379 -17.133 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.904 -7.710 -19.160 1.00 0.00 C ATOM 0 H VAL B 54 8.959 -6.006 -15.312 1.00 0.00 H new ATOM 0 HA VAL B 54 11.045 -5.897 -17.342 1.00 0.00 H new ATOM 0 HB VAL B 54 10.775 -8.213 -17.256 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.624 -9.382 -17.557 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.703 -8.446 -16.046 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.785 -7.817 -17.435 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.798 -8.739 -19.503 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.072 -7.115 -19.537 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.843 -7.298 -19.531 1.00 0.00 H new ATOM 862 N THR B 55 9.404 -4.572 -18.722 1.00 0.00 N ATOM 863 CA THR B 55 8.488 -3.701 -19.442 1.00 0.00 C ATOM 864 C THR B 55 8.247 -4.234 -20.845 1.00 0.00 C ATOM 865 O THR B 55 9.191 -4.439 -21.613 1.00 0.00 O ATOM 866 CB THR B 55 9.007 -2.267 -19.505 1.00 0.00 C ATOM 867 OG1 THR B 55 9.245 -1.786 -18.198 1.00 0.00 O ATOM 868 CG2 THR B 55 7.964 -1.375 -20.180 1.00 0.00 C ATOM 0 H THR B 55 10.363 -4.544 -19.068 1.00 0.00 H new ATOM 0 HA THR B 55 7.545 -3.689 -18.896 1.00 0.00 H new ATOM 0 HB THR B 55 9.935 -2.250 -20.076 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.580 -0.866 -18.244 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.335 -0.351 -20.225 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.775 -1.737 -21.191 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.038 -1.400 -19.606 1.00 0.00 H new ATOM 876 N PHE B 56 6.972 -4.446 -21.164 1.00 0.00 N ATOM 877 CA PHE B 56 6.523 -4.839 -22.486 1.00 0.00 C ATOM 878 C PHE B 56 6.133 -3.621 -23.317 1.00 0.00 C ATOM 879 O PHE B 56 5.796 -2.572 -22.770 1.00 0.00 O ATOM 880 CB PHE B 56 5.317 -5.760 -22.330 1.00 0.00 C ATOM 881 CG PHE B 56 5.659 -7.140 -21.826 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.191 -7.348 -20.543 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.429 -8.228 -22.671 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.492 -8.651 -20.117 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.705 -9.525 -22.240 1.00 0.00 C ATOM 886 CZ PHE B 56 6.222 -9.740 -20.958 1.00 0.00 C ATOM 0 H PHE B 56 6.211 -4.346 -20.492 1.00 0.00 H new ATOM 0 HA PHE B 56 7.334 -5.352 -23.002 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.607 -5.299 -21.643 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.815 -5.850 -23.293 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.368 -6.509 -19.887 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.035 -8.064 -23.663 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.931 -8.814 -19.144 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.520 -10.363 -22.895 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.413 -10.746 -20.616 1.00 0.00 H new ATOM 896 N GLU B 57 6.180 -3.764 -24.643 1.00 0.00 N ATOM 897 CA GLU B 57 5.744 -2.708 -25.547 1.00 0.00 C ATOM 898 C GLU B 57 4.222 -2.635 -25.594 1.00 0.00 C ATOM 899 O GLU B 57 3.678 -1.601 -25.978 1.00 0.00 O ATOM 900 CB GLU B 57 6.299 -2.968 -26.945 1.00 0.00 C ATOM 901 CG GLU B 57 7.382 -1.961 -27.326 1.00 0.00 C ATOM 902 CD GLU B 57 6.801 -0.564 -27.539 1.00 0.00 C ATOM 903 OE1 GLU B 57 6.278 -0.323 -28.647 1.00 0.00 O ATOM 904 OE2 GLU B 57 6.886 0.253 -26.595 1.00 0.00 O ATOM 0 H GLU B 57 6.517 -4.605 -25.112 1.00 0.00 H new ATOM 0 HA GLU B 57 6.122 -1.754 -25.180 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.710 -3.977 -26.990 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.488 -2.921 -27.672 1.00 0.00 H new ATOM 0 HG2 GLU B 57 8.139 -1.925 -26.542 1.00 0.00 H new ATOM 0 HG3 GLU B 57 7.882 -2.291 -28.237 1.00 0.00 H new ATOM 911 N SER B 58 3.529 -3.712 -25.211 1.00 0.00 N ATOM 912 CA SER B 58 2.082 -3.685 -25.117 1.00 0.00 C ATOM 913 C SER B 58 1.661 -4.015 -23.695 1.00 0.00 C ATOM 914 O SER B 58 2.251 -4.896 -23.064 1.00 0.00 O ATOM 915 CB SER B 58 1.485 -4.659 -26.128 1.00 0.00 C ATOM 916 OG SER B 58 0.093 -4.786 -25.922 1.00 0.00 O ATOM 0 H SER B 58 3.953 -4.606 -24.964 1.00 0.00 H new ATOM 0 HA SER B 58 1.707 -2.689 -25.354 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.679 -4.307 -27.141 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.964 -5.633 -26.032 1.00 0.00 H new ATOM 0 HG SER B 58 -0.279 -5.412 -26.578 1.00 0.00 H new ATOM 922 N PRO B 59 0.641 -3.322 -23.175 1.00 0.00 N ATOM 923 CA PRO B 59 0.154 -3.537 -21.830 1.00 0.00 C ATOM 924 C PRO B 59 -0.645 -4.831 -21.756 1.00 0.00 C ATOM 925 O PRO B 59 -1.096 -5.191 -20.673 1.00 0.00 O ATOM 926 CB PRO B 59 -0.756 -2.347 -21.549 1.00 0.00 C ATOM 927 CG PRO B 59 -1.352 -2.087 -22.924 1.00 0.00 C ATOM 928 CD PRO B 59 -0.139 -2.290 -23.832 1.00 0.00 C ATOM 0 HA PRO B 59 0.967 -3.619 -21.109 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.521 -2.582 -20.809 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.202 -1.487 -21.173 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.159 -2.781 -23.158 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.763 -1.081 -23.008 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.440 -2.598 -24.833 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.434 -1.369 -23.941 1.00 0.00 H new ATOM 936 N ALA B 60 -0.825 -5.525 -22.887 1.00 0.00 N ATOM 937 CA ALA B 60 -1.592 -6.756 -22.928 1.00 0.00 C ATOM 938 C ALA B 60 -0.720 -7.938 -23.331 1.00 0.00 C ATOM 939 O ALA B 60 -1.118 -9.087 -23.144 1.00 0.00 O ATOM 940 CB ALA B 60 -2.793 -6.573 -23.851 1.00 0.00 C ATOM 0 H ALA B 60 -0.442 -5.243 -23.789 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.965 -6.984 -21.929 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.371 -7.497 -23.884 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.421 -5.765 -23.475 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.446 -6.326 -24.855 1.00 0.00 H new ATOM 946 N ASP B 61 0.471 -7.677 -23.878 1.00 0.00 N ATOM 947 CA ASP B 61 1.443 -8.739 -24.069 1.00 0.00 C ATOM 948 C ASP B 61 1.973 -9.115 -22.692 1.00 0.00 C ATOM 949 O ASP B 61 2.375 -10.256 -22.456 1.00 0.00 O ATOM 950 CB ASP B 61 2.586 -8.235 -24.948 1.00 0.00 C ATOM 951 CG ASP B 61 2.205 -8.067 -26.416 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.053 -8.397 -26.775 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.084 -7.605 -27.178 1.00 0.00 O ATOM 0 H ASP B 61 0.775 -6.754 -24.189 1.00 0.00 H new ATOM 0 HA ASP B 61 0.990 -9.602 -24.557 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.935 -7.278 -24.561 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.421 -8.931 -24.876 1.00 0.00 H new ATOM 958 N ALA B 62 1.965 -8.143 -21.779 1.00 0.00 N ATOM 959 CA ALA B 62 2.335 -8.353 -20.395 1.00 0.00 C ATOM 960 C ALA B 62 1.212 -9.058 -19.647 1.00 0.00 C ATOM 961 O ALA B 62 1.480 -9.804 -18.709 1.00 0.00 O ATOM 962 CB ALA B 62 2.637 -7.000 -19.767 1.00 0.00 C ATOM 0 H ALA B 62 1.698 -7.182 -21.990 1.00 0.00 H new ATOM 0 HA ALA B 62 3.219 -8.988 -20.337 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.918 -7.138 -18.723 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.458 -6.525 -20.304 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.752 -6.367 -19.824 1.00 0.00 H new ATOM 968 N LYS B 63 -0.045 -8.834 -20.051 1.00 0.00 N ATOM 969 CA LYS B 63 -1.174 -9.531 -19.445 1.00 0.00 C ATOM 970 C LYS B 63 -1.134 -10.986 -19.856 1.00 0.00 C ATOM 971 O LYS B 63 -1.452 -11.857 -19.058 1.00 0.00 O ATOM 972 CB LYS B 63 -2.493 -8.920 -19.914 1.00 0.00 C ATOM 973 CG LYS B 63 -2.692 -7.534 -19.305 1.00 0.00 C ATOM 974 CD LYS B 63 -3.917 -6.826 -19.882 1.00 0.00 C ATOM 975 CE LYS B 63 -5.180 -7.655 -19.628 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.375 -6.975 -20.162 1.00 0.00 N ATOM 0 H LYS B 63 -0.299 -8.179 -20.790 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.105 -9.439 -18.361 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.500 -8.849 -21.002 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.321 -9.569 -19.631 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.801 -7.625 -18.224 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.804 -6.928 -19.486 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -4.023 -5.841 -19.428 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.785 -6.671 -20.953 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.076 -8.635 -20.094 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.300 -7.822 -18.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.217 -7.557 -19.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.484 -6.050 -19.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.267 -6.838 -21.187 1.00 0.00 H new ATOM 990 N ASP B 64 -0.746 -11.258 -21.103 1.00 0.00 N ATOM 991 CA ASP B 64 -0.716 -12.617 -21.606 1.00 0.00 C ATOM 992 C ASP B 64 0.381 -13.412 -20.909 1.00 0.00 C ATOM 993 O ASP B 64 0.252 -14.617 -20.729 1.00 0.00 O ATOM 994 CB ASP B 64 -0.456 -12.558 -23.105 1.00 0.00 C ATOM 995 CG ASP B 64 -0.672 -13.913 -23.772 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.820 -14.409 -23.716 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.312 -14.445 -24.331 1.00 0.00 O ATOM 0 H ASP B 64 -0.450 -10.551 -21.776 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.666 -13.113 -21.409 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.117 -11.820 -23.560 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.566 -12.224 -23.284 1.00 0.00 H new ATOM 1002 N ALA B 65 1.457 -12.724 -20.516 1.00 0.00 N ATOM 1003 CA ALA B 65 2.509 -13.342 -19.729 1.00 0.00 C ATOM 1004 C ALA B 65 2.056 -13.479 -18.279 1.00 0.00 C ATOM 1005 O ALA B 65 2.251 -14.519 -17.656 1.00 0.00 O ATOM 1006 CB ALA B 65 3.778 -12.497 -19.797 1.00 0.00 C ATOM 0 H ALA B 65 1.615 -11.740 -20.734 1.00 0.00 H new ATOM 0 HA ALA B 65 2.720 -14.332 -20.134 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.561 -12.969 -19.204 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.106 -12.416 -20.833 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.574 -11.502 -19.403 1.00 0.00 H new ATOM 1012 N ALA B 66 1.443 -12.429 -17.727 1.00 0.00 N ATOM 1013 CA ALA B 66 1.007 -12.428 -16.341 1.00 0.00 C ATOM 1014 C ALA B 66 -0.190 -13.359 -16.135 1.00 0.00 C ATOM 1015 O ALA B 66 -0.604 -13.602 -15.001 1.00 0.00 O ATOM 1016 CB ALA B 66 0.691 -10.982 -15.947 1.00 0.00 C ATOM 0 H ALA B 66 1.239 -11.565 -18.229 1.00 0.00 H new ATOM 0 HA ALA B 66 1.797 -12.812 -15.696 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.360 -10.952 -14.909 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.586 -10.370 -16.061 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.098 -10.594 -16.591 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.741 -13.883 -17.231 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.804 -14.880 -17.224 1.00 0.00 C ATOM 1024 C ARG B 67 -1.293 -16.282 -17.564 1.00 0.00 C ATOM 1025 O ARG B 67 -2.095 -17.205 -17.688 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.891 -14.453 -18.213 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.641 -13.229 -17.684 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.524 -12.608 -18.764 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.540 -13.554 -19.240 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.142 -13.475 -20.429 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -5.847 -12.502 -21.288 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.052 -14.384 -20.770 1.00 0.00 N ATOM 0 H ARG B 67 -0.450 -13.616 -18.171 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.212 -14.934 -16.215 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.442 -14.223 -19.179 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.589 -15.274 -18.373 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.255 -13.517 -16.831 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.926 -12.488 -17.326 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -5.012 -11.717 -18.368 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.904 -12.287 -19.601 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.803 -14.322 -18.622 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -5.150 -11.799 -21.043 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.318 -12.459 -22.192 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.287 -15.137 -20.124 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -7.514 -14.327 -21.677 1.00 0.00 H new ATOM 1046 N ASP B 68 0.022 -16.460 -17.721 1.00 0.00 N ATOM 1047 CA ASP B 68 0.594 -17.727 -18.131 1.00 0.00 C ATOM 1048 C ASP B 68 1.702 -18.114 -17.173 1.00 0.00 C ATOM 1049 O ASP B 68 1.711 -19.201 -16.602 1.00 0.00 O ATOM 1050 CB ASP B 68 1.224 -17.510 -19.502 1.00 0.00 C ATOM 1051 CG ASP B 68 0.363 -18.076 -20.631 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.818 -17.675 -20.725 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.899 -18.911 -21.398 1.00 0.00 O ATOM 0 H ASP B 68 0.712 -15.725 -17.565 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.171 -18.503 -18.147 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.377 -16.443 -19.664 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.207 -17.980 -19.527 1.00 0.00 H new ATOM 1058 N MET B 69 2.637 -17.180 -17.022 1.00 0.00 N ATOM 1059 CA MET B 69 3.840 -17.319 -16.236 1.00 0.00 C ATOM 1060 C MET B 69 3.584 -17.086 -14.749 1.00 0.00 C ATOM 1061 O MET B 69 4.452 -17.365 -13.924 1.00 0.00 O ATOM 1062 CB MET B 69 4.813 -16.290 -16.793 1.00 0.00 C ATOM 1063 CG MET B 69 5.732 -16.894 -17.849 1.00 0.00 C ATOM 1064 SD MET B 69 6.754 -18.285 -17.307 1.00 0.00 S ATOM 1065 CE MET B 69 7.584 -17.448 -15.940 1.00 0.00 C ATOM 0 H MET B 69 2.565 -16.266 -17.469 1.00 0.00 H new ATOM 0 HA MET B 69 4.236 -18.332 -16.306 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.255 -15.460 -17.228 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.413 -15.880 -15.981 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.121 -17.223 -18.689 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.390 -16.109 -18.222 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.597 -17.836 -15.837 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.624 -16.377 -16.140 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.032 -17.625 -15.017 1.00 0.00 H new ATOM 1075 N ASN B 70 2.403 -16.575 -14.392 1.00 0.00 N ATOM 1076 CA ASN B 70 2.068 -16.357 -13.000 1.00 0.00 C ATOM 1077 C ASN B 70 1.792 -17.703 -12.334 1.00 0.00 C ATOM 1078 O ASN B 70 0.984 -18.491 -12.825 1.00 0.00 O ATOM 1079 CB ASN B 70 0.864 -15.416 -12.907 1.00 0.00 C ATOM 1080 CG ASN B 70 0.528 -15.047 -11.470 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.342 -15.223 -10.567 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.675 -14.529 -11.249 1.00 0.00 N ATOM 0 H ASN B 70 1.672 -16.308 -15.051 1.00 0.00 H new ATOM 0 HA ASN B 70 2.899 -15.886 -12.476 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.071 -14.508 -13.474 1.00 0.00 H new ATOM 0 HB3 ASN B 70 -0.001 -15.890 -13.370 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.950 -14.262 -10.304 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.324 -14.398 -12.025 1.00 0.00 H new ATOM 1089 N GLY B 71 2.466 -17.962 -11.214 1.00 0.00 N ATOM 1090 CA GLY B 71 2.298 -19.193 -10.454 1.00 0.00 C ATOM 1091 C GLY B 71 3.189 -20.315 -10.980 1.00 0.00 C ATOM 1092 O GLY B 71 3.267 -21.376 -10.366 1.00 0.00 O ATOM 0 H GLY B 71 3.146 -17.319 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.531 -19.007 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.255 -19.507 -10.498 1.00 0.00 H new ATOM 1096 N LYS B 72 3.866 -20.086 -12.113 1.00 0.00 N ATOM 1097 CA LYS B 72 4.842 -20.990 -12.674 1.00 0.00 C ATOM 1098 C LYS B 72 6.174 -20.792 -11.972 1.00 0.00 C ATOM 1099 O LYS B 72 6.217 -20.362 -10.824 1.00 0.00 O ATOM 1100 CB LYS B 72 4.957 -20.690 -14.161 1.00 0.00 C ATOM 1101 CG LYS B 72 3.610 -20.762 -14.885 1.00 0.00 C ATOM 1102 CD LYS B 72 2.955 -22.128 -14.682 1.00 0.00 C ATOM 1103 CE LYS B 72 1.703 -22.226 -15.554 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.649 -21.289 -15.111 1.00 0.00 N ATOM 0 H LYS B 72 3.736 -19.241 -12.669 1.00 0.00 H new ATOM 0 HA LYS B 72 4.541 -22.028 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.384 -19.696 -14.295 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.648 -21.398 -14.618 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.950 -19.979 -14.513 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.754 -20.578 -15.950 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.656 -22.922 -14.942 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.693 -22.265 -13.633 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.965 -22.014 -16.591 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.319 -23.246 -15.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.282 -21.656 -15.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 0.684 -21.191 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.803 -20.360 -15.552 1.00 0.00 H new ATOM 1118 N SER B 73 7.258 -21.109 -12.673 1.00 0.00 N ATOM 1119 CA SER B 73 8.595 -21.108 -12.110 1.00 0.00 C ATOM 1120 C SER B 73 9.631 -20.543 -13.060 1.00 0.00 C ATOM 1121 O SER B 73 9.429 -20.488 -14.273 1.00 0.00 O ATOM 1122 CB SER B 73 8.902 -22.555 -11.752 1.00 0.00 C ATOM 1123 OG SER B 73 10.140 -22.679 -11.084 1.00 0.00 O ATOM 0 H SER B 73 7.228 -21.376 -13.657 1.00 0.00 H new ATOM 0 HA SER B 73 8.635 -20.459 -11.235 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.107 -22.949 -11.120 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.917 -23.159 -12.659 1.00 0.00 H new ATOM 0 HG SER B 73 10.303 -23.621 -10.869 1.00 0.00 H new ATOM 1129 N LEU B 74 10.748 -20.126 -12.466 1.00 0.00 N ATOM 1130 CA LEU B 74 11.887 -19.604 -13.191 1.00 0.00 C ATOM 1131 C LEU B 74 13.136 -20.267 -12.654 1.00 0.00 C ATOM 1132 O LEU B 74 13.372 -20.240 -11.445 1.00 0.00 O ATOM 1133 CB LEU B 74 12.032 -18.103 -12.984 1.00 0.00 C ATOM 1134 CG LEU B 74 12.363 -17.341 -14.267 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.539 -17.924 -15.052 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.129 -17.325 -15.155 1.00 0.00 C ATOM 0 H LEU B 74 10.881 -20.145 -11.455 1.00 0.00 H new ATOM 0 HA LEU B 74 11.743 -19.804 -14.253 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.105 -17.710 -12.566 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.816 -17.919 -12.249 1.00 0.00 H new ATOM 0 HG LEU B 74 12.663 -16.336 -13.969 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.710 -17.327 -15.948 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.434 -17.910 -14.430 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.312 -18.951 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.350 -16.784 -16.075 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.841 -18.348 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.310 -16.831 -14.632 1.00 0.00 H new ATOM 1148 N ASP B 75 13.919 -20.858 -13.551 1.00 0.00 N ATOM 1149 CA ASP B 75 15.155 -21.546 -13.232 1.00 0.00 C ATOM 1150 C ASP B 75 14.983 -22.741 -12.302 1.00 0.00 C ATOM 1151 O ASP B 75 15.837 -23.626 -12.259 1.00 0.00 O ATOM 1152 CB ASP B 75 16.122 -20.522 -12.633 1.00 0.00 C ATOM 1153 CG ASP B 75 17.583 -20.902 -12.865 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.039 -21.892 -12.257 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.235 -20.187 -13.658 1.00 0.00 O ATOM 0 H ASP B 75 13.700 -20.869 -14.547 1.00 0.00 H new ATOM 0 HA ASP B 75 15.549 -21.971 -14.155 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.929 -19.543 -13.072 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.937 -20.433 -11.562 1.00 0.00 H new ATOM 1160 N GLY B 76 13.881 -22.776 -11.558 1.00 0.00 N ATOM 1161 CA GLY B 76 13.613 -23.860 -10.650 1.00 0.00 C ATOM 1162 C GLY B 76 12.739 -23.445 -9.468 1.00 0.00 C ATOM 1163 O GLY B 76 12.324 -24.309 -8.696 1.00 0.00 O ATOM 0 H GLY B 76 13.161 -22.054 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.122 -24.668 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.557 -24.255 -10.276 1.00 0.00 H new ATOM 1167 N LYS B 77 12.456 -22.144 -9.316 1.00 0.00 N ATOM 1168 CA LYS B 77 11.742 -21.611 -8.162 1.00 0.00 C ATOM 1169 C LYS B 77 10.447 -20.947 -8.606 1.00 0.00 C ATOM 1170 O LYS B 77 10.438 -20.191 -9.575 1.00 0.00 O ATOM 1171 CB LYS B 77 12.633 -20.638 -7.386 1.00 0.00 C ATOM 1172 CG LYS B 77 13.999 -21.249 -7.064 1.00 0.00 C ATOM 1173 CD LYS B 77 13.890 -22.504 -6.191 1.00 0.00 C ATOM 1174 CE LYS B 77 15.244 -23.213 -6.167 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.205 -24.400 -5.293 1.00 0.00 N ATOM 0 H LYS B 77 12.720 -21.433 -9.998 1.00 0.00 H new ATOM 0 HA LYS B 77 11.486 -22.432 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.771 -19.728 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.136 -20.351 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.509 -21.500 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.614 -20.508 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.589 -22.234 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.123 -23.171 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.520 -23.511 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS B 77 16.013 -22.524 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.136 -24.863 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 14.964 -24.110 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.487 -25.066 -5.644 1.00 0.00 H new ATOM 1189 N ALA B 78 9.357 -21.228 -7.891 1.00 0.00 N ATOM 1190 CA ALA B 78 8.038 -20.754 -8.270 1.00 0.00 C ATOM 1191 C ALA B 78 7.899 -19.249 -8.059 1.00 0.00 C ATOM 1192 O ALA B 78 8.367 -18.714 -7.053 1.00 0.00 O ATOM 1193 CB ALA B 78 6.973 -21.525 -7.490 1.00 0.00 C ATOM 0 H ALA B 78 9.370 -21.788 -7.039 1.00 0.00 H new ATOM 0 HA ALA B 78 7.897 -20.936 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.983 -21.168 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.055 -22.588 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.121 -21.369 -6.421 1.00 0.00 H new ATOM 1199 N ILE B 79 7.250 -18.576 -9.012 1.00 0.00 N ATOM 1200 CA ILE B 79 7.138 -17.123 -9.024 1.00 0.00 C ATOM 1201 C ILE B 79 5.702 -16.605 -9.008 1.00 0.00 C ATOM 1202 O ILE B 79 4.733 -17.363 -9.035 1.00 0.00 O ATOM 1203 CB ILE B 79 7.851 -16.557 -10.257 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.056 -16.853 -11.540 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.271 -17.106 -10.368 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.638 -16.083 -12.726 1.00 0.00 C ATOM 0 H ILE B 79 6.786 -19.030 -9.799 1.00 0.00 H new ATOM 0 HA ILE B 79 7.607 -16.784 -8.100 1.00 0.00 H new ATOM 0 HB ILE B 79 7.912 -15.475 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.078 -17.923 -11.749 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.011 -16.577 -11.398 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.754 -16.689 -11.251 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.838 -16.830 -9.479 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.236 -18.192 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.061 -16.307 -13.623 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.593 -15.013 -12.523 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.676 -16.380 -12.879 1.00 0.00 H new ATOM 1218 N LYS B 80 5.608 -15.277 -8.972 1.00 0.00 N ATOM 1219 CA LYS B 80 4.403 -14.490 -9.141 1.00 0.00 C ATOM 1220 C LYS B 80 4.632 -13.555 -10.324 1.00 0.00 C ATOM 1221 O LYS B 80 5.746 -13.067 -10.500 1.00 0.00 O ATOM 1222 CB LYS B 80 4.160 -13.652 -7.881 1.00 0.00 C ATOM 1223 CG LYS B 80 2.818 -12.914 -7.959 1.00 0.00 C ATOM 1224 CD LYS B 80 2.721 -11.871 -6.845 1.00 0.00 C ATOM 1225 CE LYS B 80 1.394 -11.122 -6.948 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.309 -10.055 -5.933 1.00 0.00 N ATOM 0 H LYS B 80 6.428 -14.691 -8.813 1.00 0.00 H new ATOM 0 HA LYS B 80 3.541 -15.136 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.173 -14.298 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.968 -12.931 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.718 -12.429 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.998 -13.626 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.800 -12.357 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.552 -11.169 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.292 -10.691 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.567 -11.820 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.641 -10.337 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 2.248 -9.898 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.978 -9.176 -6.380 1.00 0.00 H new ATOM 1240 N VAL B 81 3.596 -13.303 -11.128 1.00 0.00 N ATOM 1241 CA VAL B 81 3.684 -12.330 -12.209 1.00 0.00 C ATOM 1242 C VAL B 81 2.441 -11.456 -12.183 1.00 0.00 C ATOM 1243 O VAL B 81 1.320 -11.960 -12.186 1.00 0.00 O ATOM 1244 CB VAL B 81 3.876 -13.019 -13.561 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.044 -11.970 -14.657 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.129 -13.892 -13.546 1.00 0.00 C ATOM 0 H VAL B 81 2.688 -13.761 -11.047 1.00 0.00 H new ATOM 0 HA VAL B 81 4.560 -11.698 -12.064 1.00 0.00 H new ATOM 0 HB VAL B 81 2.998 -13.636 -13.753 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.180 -12.466 -15.618 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.155 -11.340 -14.697 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.916 -11.354 -14.440 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.248 -14.374 -14.516 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.002 -13.273 -13.338 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.033 -14.654 -12.772 1.00 0.00 H new ATOM 1256 N GLU B 82 2.645 -10.138 -12.155 1.00 0.00 N ATOM 1257 CA GLU B 82 1.557 -9.183 -12.009 1.00 0.00 C ATOM 1258 C GLU B 82 2.015 -7.823 -12.528 1.00 0.00 C ATOM 1259 O GLU B 82 3.211 -7.611 -12.690 1.00 0.00 O ATOM 1260 CB GLU B 82 1.206 -9.094 -10.520 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.072 -8.295 -10.260 1.00 0.00 C ATOM 1262 CD GLU B 82 -0.483 -8.384 -8.791 1.00 0.00 C ATOM 1263 OE1 GLU B 82 0.387 -8.127 -7.927 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.664 -8.709 -8.539 1.00 0.00 O ATOM 0 H GLU B 82 3.567 -9.709 -12.233 1.00 0.00 H new ATOM 0 HA GLU B 82 0.681 -9.496 -12.577 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.088 -10.100 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.034 -8.631 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.084 -7.252 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.877 -8.674 -10.890 1.00 0.00 H new ATOM 1271 N GLN B 83 1.095 -6.894 -12.794 1.00 0.00 N ATOM 1272 CA GLN B 83 1.496 -5.539 -13.138 1.00 0.00 C ATOM 1273 C GLN B 83 2.213 -4.956 -11.923 1.00 0.00 C ATOM 1274 O GLN B 83 1.761 -5.117 -10.790 1.00 0.00 O ATOM 1275 CB GLN B 83 0.259 -4.732 -13.541 1.00 0.00 C ATOM 1276 CG GLN B 83 0.452 -3.216 -13.480 1.00 0.00 C ATOM 1277 CD GLN B 83 1.472 -2.652 -14.461 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.507 -3.023 -15.631 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.305 -1.742 -13.965 1.00 0.00 N ATOM 0 H GLN B 83 0.088 -7.055 -12.777 1.00 0.00 H new ATOM 0 HA GLN B 83 2.176 -5.514 -13.990 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.028 -5.010 -14.555 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.569 -5.008 -12.889 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.509 -2.736 -13.664 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.756 -2.945 -12.469 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.235 -1.467 -12.985 1.00 0.00 H new ATOM 0 HE22 GLN B 83 3.014 -1.319 -14.564 1.00 0.00 H new ATOM 1288 N ALA B 84 3.334 -4.279 -12.159 1.00 0.00 N ATOM 1289 CA ALA B 84 4.186 -3.808 -11.085 1.00 0.00 C ATOM 1290 C ALA B 84 3.597 -2.597 -10.370 1.00 0.00 C ATOM 1291 O ALA B 84 2.851 -1.813 -10.955 1.00 0.00 O ATOM 1292 CB ALA B 84 5.561 -3.470 -11.652 1.00 0.00 C ATOM 0 H ALA B 84 3.670 -4.046 -13.093 1.00 0.00 H new ATOM 0 HA ALA B 84 4.270 -4.603 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.208 -3.115 -10.850 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.998 -4.361 -12.103 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.461 -2.692 -12.409 1.00 0.00 H new ATOM 1298 N THR B 85 3.949 -2.457 -9.092 1.00 0.00 N ATOM 1299 CA THR B 85 3.605 -1.284 -8.302 1.00 0.00 C ATOM 1300 C THR B 85 4.864 -0.483 -8.020 1.00 0.00 C ATOM 1301 O THR B 85 5.971 -0.904 -8.362 1.00 0.00 O ATOM 1302 CB THR B 85 2.938 -1.670 -6.981 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.843 -2.396 -6.181 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.696 -2.529 -7.214 1.00 0.00 C ATOM 0 H THR B 85 4.482 -3.158 -8.578 1.00 0.00 H new ATOM 0 HA THR B 85 2.895 -0.685 -8.873 1.00 0.00 H new ATOM 0 HB THR B 85 2.641 -0.749 -6.480 1.00 0.00 H new ATOM 0 HG1 THR B 85 4.117 -3.210 -6.653 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.246 -2.786 -6.255 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.977 -1.973 -7.815 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.978 -3.442 -7.738 1.00 0.00 H new ATOM 1312 N LYS B 86 4.696 0.680 -7.392 1.00 0.00 N ATOM 1313 CA LYS B 86 5.810 1.550 -7.052 1.00 0.00 C ATOM 1314 C LYS B 86 6.601 0.987 -5.866 1.00 0.00 C ATOM 1315 O LYS B 86 6.033 0.287 -5.025 1.00 0.00 O ATOM 1316 CB LYS B 86 5.251 2.943 -6.776 1.00 0.00 C ATOM 1317 CG LYS B 86 4.745 3.517 -8.103 1.00 0.00 C ATOM 1318 CD LYS B 86 4.185 4.924 -7.936 1.00 0.00 C ATOM 1319 CE LYS B 86 3.604 5.362 -9.277 1.00 0.00 C ATOM 1320 NZ LYS B 86 2.969 6.689 -9.183 1.00 0.00 N ATOM 0 H LYS B 86 3.785 1.041 -7.107 1.00 0.00 H new ATOM 0 HA LYS B 86 6.517 1.611 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS B 86 4.441 2.892 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS B 86 6.021 3.586 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS B 86 5.561 3.534 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS B 86 3.972 2.865 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS B 86 3.416 4.939 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS B 86 4.969 5.611 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS B 86 4.395 5.388 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS B 86 2.870 4.629 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 2.875 7.097 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 2.027 6.593 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 3.556 7.314 -8.595 1.00 0.00 H new ATOM 1334 N PRO B 87 7.907 1.283 -5.787 1.00 0.00 N ATOM 1335 CA PRO B 87 8.799 0.761 -4.765 1.00 0.00 C ATOM 1336 C PRO B 87 8.448 1.317 -3.386 1.00 0.00 C ATOM 1337 O PRO B 87 7.787 2.348 -3.273 1.00 0.00 O ATOM 1338 CB PRO B 87 10.202 1.171 -5.211 1.00 0.00 C ATOM 1339 CG PRO B 87 9.952 2.454 -5.997 1.00 0.00 C ATOM 1340 CD PRO B 87 8.626 2.157 -6.694 1.00 0.00 C ATOM 0 HA PRO B 87 8.718 -0.321 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO B 87 10.862 1.341 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO B 87 10.669 0.404 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO B 87 9.882 3.324 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO B 87 10.750 2.655 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO B 87 8.067 3.073 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO B 87 8.787 1.676 -7.659 1.00 0.00 H new ATOM 1348 N SER B 88 8.895 0.630 -2.331 1.00 0.00 N ATOM 1349 CA SER B 88 8.516 0.964 -0.965 1.00 0.00 C ATOM 1350 C SER B 88 9.404 2.036 -0.335 1.00 0.00 C ATOM 1351 O SER B 88 9.096 2.517 0.754 1.00 0.00 O ATOM 1352 CB SER B 88 8.519 -0.313 -0.131 1.00 0.00 C ATOM 1353 OG SER B 88 7.942 -0.073 1.138 1.00 0.00 O ATOM 0 H SER B 88 9.526 -0.168 -2.404 1.00 0.00 H new ATOM 0 HA SER B 88 7.516 1.397 -0.990 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.963 -1.095 -0.649 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.540 -0.674 -0.011 1.00 0.00 H new ATOM 0 HG SER B 88 8.039 0.875 1.367 1.00 0.00 H new ATOM 1359 N PHE B 89 10.503 2.428 -0.992 1.00 0.00 N ATOM 1360 CA PHE B 89 11.399 3.446 -0.461 1.00 0.00 C ATOM 1361 C PHE B 89 11.105 4.829 -1.028 1.00 0.00 C ATOM 1362 O PHE B 89 11.931 5.733 -0.922 1.00 0.00 O ATOM 1363 CB PHE B 89 12.864 3.052 -0.635 1.00 0.00 C ATOM 1364 CG PHE B 89 13.351 2.936 -2.061 1.00 0.00 C ATOM 1365 CD1 PHE B 89 13.105 1.772 -2.797 1.00 0.00 C ATOM 1366 CD2 PHE B 89 14.066 3.992 -2.640 1.00 0.00 C ATOM 1367 CE1 PHE B 89 13.585 1.660 -4.109 1.00 0.00 C ATOM 1368 CE2 PHE B 89 14.555 3.878 -3.949 1.00 0.00 C ATOM 1369 CZ PHE B 89 14.312 2.710 -4.684 1.00 0.00 C ATOM 0 H PHE B 89 10.788 2.050 -1.895 1.00 0.00 H new ATOM 0 HA PHE B 89 11.209 3.508 0.610 1.00 0.00 H new ATOM 0 HB2 PHE B 89 13.482 3.787 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE B 89 13.025 2.095 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE B 89 12.546 0.961 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE B 89 14.241 4.897 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE B 89 13.394 0.762 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE B 89 15.117 4.688 -4.390 1.00 0.00 H new ATOM 0 HZ PHE B 89 14.685 2.619 -5.693 1.00 0.00 H new ATOM 1379 N GLU B 90 9.926 5.002 -1.634 1.00 0.00 N ATOM 1380 CA GLU B 90 9.555 6.255 -2.258 1.00 0.00 C ATOM 1381 C GLU B 90 8.374 6.903 -1.546 1.00 0.00 C ATOM 1382 O GLU B 90 7.509 6.230 -0.989 1.00 0.00 O ATOM 1383 CB GLU B 90 9.298 6.022 -3.746 1.00 0.00 C ATOM 1384 CG GLU B 90 9.615 7.301 -4.515 1.00 0.00 C ATOM 1385 CD GLU B 90 9.351 7.124 -6.009 1.00 0.00 C ATOM 1386 OE1 GLU B 90 8.175 7.270 -6.408 1.00 0.00 O ATOM 1387 OE2 GLU B 90 10.328 6.844 -6.739 1.00 0.00 O ATOM 0 H GLU B 90 9.213 4.276 -1.700 1.00 0.00 H new ATOM 0 HA GLU B 90 10.378 6.964 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU B 90 9.916 5.202 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU B 90 8.259 5.734 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU B 90 9.008 8.120 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU B 90 10.658 7.575 -4.357 1.00 0.00 H new ATOM 1394 N SER B 91 8.369 8.233 -1.578 1.00 0.00 N ATOM 1395 CA SER B 91 7.411 9.079 -0.888 1.00 0.00 C ATOM 1396 C SER B 91 6.155 9.322 -1.722 1.00 0.00 C ATOM 1397 O SER B 91 5.378 10.226 -1.418 1.00 0.00 O ATOM 1398 CB SER B 91 8.125 10.381 -0.538 1.00 0.00 C ATOM 1399 OG SER B 91 9.024 10.153 0.527 1.00 0.00 O ATOM 0 H SER B 91 9.059 8.767 -2.106 1.00 0.00 H new ATOM 0 HA SER B 91 7.061 8.586 0.019 1.00 0.00 H new ATOM 0 HB2 SER B 91 8.663 10.758 -1.408 1.00 0.00 H new ATOM 0 HB3 SER B 91 7.398 11.143 -0.257 1.00 0.00 H new ATOM 0 HG SER B 91 9.484 10.989 0.751 1.00 0.00 H new ATOM 1405 N GLY B 92 5.947 8.524 -2.775 1.00 0.00 N ATOM 1406 CA GLY B 92 4.784 8.649 -3.643 1.00 0.00 C ATOM 1407 C GLY B 92 3.483 8.270 -2.932 1.00 0.00 C ATOM 1408 O GLY B 92 2.404 8.406 -3.512 1.00 0.00 O ATOM 0 H GLY B 92 6.584 7.775 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY B 92 4.712 9.675 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY B 92 4.916 8.012 -4.517 1.00 0.00 H new ATOM 1412 N ARG B 93 3.572 7.797 -1.685 1.00 0.00 N ATOM 1413 CA ARG B 93 2.412 7.425 -0.879 1.00 0.00 C ATOM 1414 C ARG B 93 1.747 8.643 -0.236 1.00 0.00 C ATOM 1415 O ARG B 93 0.737 8.499 0.450 1.00 0.00 O ATOM 1416 CB ARG B 93 2.827 6.398 0.181 1.00 0.00 C ATOM 1417 CG ARG B 93 3.854 6.975 1.163 1.00 0.00 C ATOM 1418 CD ARG B 93 4.132 5.987 2.302 1.00 0.00 C ATOM 1419 NE ARG B 93 4.695 4.727 1.805 1.00 0.00 N ATOM 1420 CZ ARG B 93 6.002 4.468 1.694 1.00 0.00 C ATOM 1421 NH1 ARG B 93 6.911 5.379 2.032 1.00 0.00 N ATOM 1422 NH2 ARG B 93 6.403 3.285 1.245 1.00 0.00 N ATOM 0 H ARG B 93 4.462 7.661 -1.205 1.00 0.00 H new ATOM 0 HA ARG B 93 1.670 6.976 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG B 93 1.946 6.066 0.730 1.00 0.00 H new ATOM 0 HB3 ARG B 93 3.247 5.519 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG B 93 4.781 7.200 0.636 1.00 0.00 H new ATOM 0 HG3 ARG B 93 3.484 7.915 1.573 1.00 0.00 H new ATOM 0 HD2 ARG B 93 4.823 6.438 3.014 1.00 0.00 H new ATOM 0 HD3 ARG B 93 3.207 5.784 2.841 1.00 0.00 H new ATOM 0 HE ARG B 93 4.042 3.995 1.524 1.00 0.00 H new ATOM 0 HH11 ARG B 93 6.614 6.290 2.382 1.00 0.00 H new ATOM 0 HH12 ARG B 93 7.904 5.166 1.942 1.00 0.00 H new ATOM 0 HH21 ARG B 93 5.715 2.578 0.986 1.00 0.00 H new ATOM 0 HH22 ARG B 93 7.399 3.083 1.159 1.00 0.00 H new ATOM 1436 N ARG B 94 2.310 9.837 -0.449 1.00 0.00 N ATOM 1437 CA ARG B 94 1.783 11.075 0.113 1.00 0.00 C ATOM 1438 C ARG B 94 2.036 12.257 -0.819 1.00 0.00 C ATOM 1439 O ARG B 94 2.796 12.150 -1.780 1.00 0.00 O ATOM 1440 CB ARG B 94 2.420 11.330 1.485 1.00 0.00 C ATOM 1441 CG ARG B 94 3.944 11.450 1.385 1.00 0.00 C ATOM 1442 CD ARG B 94 4.537 11.875 2.728 1.00 0.00 C ATOM 1443 NE ARG B 94 4.136 13.245 3.078 1.00 0.00 N ATOM 1444 CZ ARG B 94 4.238 13.771 4.302 1.00 0.00 C ATOM 1445 NH1 ARG B 94 4.720 13.056 5.314 1.00 0.00 N ATOM 1446 NH2 ARG B 94 3.849 15.025 4.517 1.00 0.00 N ATOM 0 H ARG B 94 3.146 9.967 -1.018 1.00 0.00 H new ATOM 0 HA ARG B 94 0.704 10.970 0.229 1.00 0.00 H new ATOM 0 HB2 ARG B 94 2.010 12.245 1.913 1.00 0.00 H new ATOM 0 HB3 ARG B 94 2.162 10.517 2.163 1.00 0.00 H new ATOM 0 HG2 ARG B 94 4.371 10.495 1.078 1.00 0.00 H new ATOM 0 HG3 ARG B 94 4.208 12.178 0.618 1.00 0.00 H new ATOM 0 HD2 ARG B 94 4.209 11.187 3.507 1.00 0.00 H new ATOM 0 HD3 ARG B 94 5.624 11.812 2.684 1.00 0.00 H new ATOM 0 HE ARG B 94 3.754 13.833 2.337 1.00 0.00 H new ATOM 0 HH11 ARG B 94 5.018 12.092 5.161 1.00 0.00 H new ATOM 0 HH12 ARG B 94 4.792 13.471 6.243 1.00 0.00 H new ATOM 0 HH21 ARG B 94 3.474 15.582 3.749 1.00 0.00 H new ATOM 0 HH22 ARG B 94 3.925 15.430 5.450 1.00 0.00 H new ATOM 1460 N GLY B 95 1.389 13.389 -0.520 1.00 0.00 N ATOM 1461 CA GLY B 95 1.559 14.629 -1.264 1.00 0.00 C ATOM 1462 C GLY B 95 2.897 15.278 -0.939 1.00 0.00 C ATOM 1463 O GLY B 95 3.264 15.276 0.256 1.00 0.00 O ATOM 1464 OXT GLY B 95 3.542 15.775 -1.890 1.00 0.00 O ATOM 0 H GLY B 95 0.728 13.464 0.253 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.498 14.427 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.748 15.317 -1.023 1.00 0.00 H new TER 1468 GLY B 95 ATOM 1469 O5' A A 96 6.561 -11.637 4.225 1.00 0.00 O ATOM 1470 C5' A A 96 5.996 -10.395 4.594 1.00 0.00 C ATOM 1471 C4' A A 96 5.777 -10.344 6.112 1.00 0.00 C ATOM 1472 O4' A A 96 7.028 -10.465 6.785 1.00 0.00 O ATOM 1473 C3' A A 96 5.194 -8.982 6.497 1.00 0.00 C ATOM 1474 O3' A A 96 3.909 -9.032 7.086 1.00 0.00 O ATOM 1475 C2' A A 96 6.170 -8.470 7.557 1.00 0.00 C ATOM 1476 O2' A A 96 5.784 -8.875 8.855 1.00 0.00 O ATOM 1477 C1' A A 96 7.469 -9.181 7.204 1.00 0.00 C ATOM 1478 N9 A A 96 8.223 -8.488 6.130 1.00 0.00 N ATOM 1479 C8 A A 96 8.813 -9.039 5.023 1.00 0.00 C ATOM 1480 N7 A A 96 9.416 -8.184 4.244 1.00 0.00 N ATOM 1481 C5 A A 96 9.219 -6.965 4.887 1.00 0.00 C ATOM 1482 C6 A A 96 9.601 -5.645 4.581 1.00 0.00 C ATOM 1483 N6 A A 96 10.297 -5.302 3.493 1.00 0.00 N ATOM 1484 N1 A A 96 9.248 -4.665 5.427 1.00 0.00 N ATOM 1485 C2 A A 96 8.553 -4.975 6.513 1.00 0.00 C ATOM 1486 N3 A A 96 8.134 -6.167 6.916 1.00 0.00 N ATOM 1487 C4 A A 96 8.499 -7.137 6.041 1.00 0.00 C ATOM 0 H5' A A 96 5.047 -10.251 4.077 1.00 0.00 H new ATOM 0 H5'' A A 96 6.654 -9.582 4.286 1.00 0.00 H new ATOM 0 H4' A A 96 5.105 -11.155 6.391 1.00 0.00 H new ATOM 0 H3' A A 96 5.079 -8.368 5.604 1.00 0.00 H new ATOM 0 H2' A A 96 6.228 -7.382 7.564 1.00 0.00 H new ATOM 0 HO2' A A 96 4.835 -9.119 8.853 1.00 0.00 H new ATOM 0 HO5' A A 96 7.062 -12.006 4.982 1.00 0.00 H new ATOM 0 H1' A A 96 8.166 -9.213 8.041 1.00 0.00 H new ATOM 0 H8 A A 96 8.781 -10.098 4.812 1.00 0.00 H new ATOM 0 H61 A A 96 10.542 -4.325 3.331 1.00 0.00 H new ATOM 0 H62 A A 96 10.584 -6.017 2.825 1.00 0.00 H new ATOM 0 H2 A A 96 8.294 -4.146 7.155 1.00 0.00 H new ATOM 1500 P U A 97 2.618 -9.370 6.194 1.00 0.00 P ATOM 1501 OP1 U A 97 1.409 -9.050 6.986 1.00 0.00 O ATOM 1502 OP2 U A 97 2.782 -10.730 5.628 1.00 0.00 O ATOM 1503 O5' U A 97 2.747 -8.304 4.995 1.00 0.00 O ATOM 1504 C5' U A 97 2.560 -6.924 5.221 1.00 0.00 C ATOM 1505 C4' U A 97 2.800 -6.142 3.926 1.00 0.00 C ATOM 1506 O4' U A 97 2.870 -4.746 4.159 1.00 0.00 O ATOM 1507 C3' U A 97 4.095 -6.505 3.193 1.00 0.00 C ATOM 1508 O3' U A 97 3.890 -6.354 1.798 1.00 0.00 O ATOM 1509 C2' U A 97 5.100 -5.466 3.686 1.00 0.00 C ATOM 1510 O2' U A 97 5.865 -4.957 2.614 1.00 0.00 O ATOM 1511 C1' U A 97 4.229 -4.369 4.311 1.00 0.00 C ATOM 1512 N1 U A 97 4.535 -4.125 5.739 1.00 0.00 N ATOM 1513 C2 U A 97 4.384 -2.828 6.210 1.00 0.00 C ATOM 1514 O2 U A 97 4.005 -1.904 5.492 1.00 0.00 O ATOM 1515 N3 U A 97 4.679 -2.614 7.545 1.00 0.00 N ATOM 1516 C4 U A 97 5.112 -3.578 8.440 1.00 0.00 C ATOM 1517 O4 U A 97 5.349 -3.281 9.607 1.00 0.00 O ATOM 1518 C5 U A 97 5.242 -4.897 7.870 1.00 0.00 C ATOM 1519 C6 U A 97 4.957 -5.131 6.566 1.00 0.00 C ATOM 0 H5' U A 97 3.244 -6.578 5.996 1.00 0.00 H new ATOM 0 H5'' U A 97 1.549 -6.741 5.584 1.00 0.00 H new ATOM 0 H4' U A 97 1.944 -6.418 3.310 1.00 0.00 H new ATOM 0 H3' U A 97 4.427 -7.527 3.375 1.00 0.00 H new ATOM 0 H2' U A 97 5.818 -5.881 4.394 1.00 0.00 H new ATOM 0 HO2' U A 97 5.422 -5.170 1.766 1.00 0.00 H new ATOM 0 H1' U A 97 4.440 -3.432 3.795 1.00 0.00 H new ATOM 0 H3 U A 97 4.568 -1.664 7.900 1.00 0.00 H new ATOM 0 H5 U A 97 5.573 -5.714 8.495 1.00 0.00 H new ATOM 0 H6 U A 97 5.065 -6.131 6.172 1.00 0.00 H new ATOM 1530 P C A 98 3.129 -7.483 0.935 1.00 0.00 P ATOM 1531 OP1 C A 98 2.471 -6.813 -0.208 1.00 0.00 O ATOM 1532 OP2 C A 98 2.327 -8.328 1.849 1.00 0.00 O ATOM 1533 O5' C A 98 4.334 -8.375 0.353 1.00 0.00 O ATOM 1534 C5' C A 98 5.255 -9.009 1.218 1.00 0.00 C ATOM 1535 C4' C A 98 6.176 -9.979 0.467 1.00 0.00 C ATOM 1536 O4' C A 98 5.577 -11.257 0.317 1.00 0.00 O ATOM 1537 C3' C A 98 6.518 -9.490 -0.941 1.00 0.00 C ATOM 1538 O3' C A 98 7.760 -10.027 -1.353 1.00 0.00 O ATOM 1539 C2' C A 98 5.387 -10.108 -1.751 1.00 0.00 C ATOM 1540 O2' C A 98 5.768 -10.337 -3.092 1.00 0.00 O ATOM 1541 C1' C A 98 5.092 -11.408 -1.006 1.00 0.00 C ATOM 1542 N1 C A 98 3.641 -11.692 -0.995 1.00 0.00 N ATOM 1543 C2 C A 98 3.117 -12.518 -1.982 1.00 0.00 C ATOM 1544 O2 C A 98 3.847 -13.018 -2.838 1.00 0.00 O ATOM 1545 N3 C A 98 1.780 -12.764 -1.985 1.00 0.00 N ATOM 1546 C4 C A 98 0.988 -12.227 -1.053 1.00 0.00 C ATOM 1547 N4 C A 98 -0.313 -12.500 -1.100 1.00 0.00 N ATOM 1548 C5 C A 98 1.507 -11.380 -0.022 1.00 0.00 C ATOM 1549 C6 C A 98 2.838 -11.145 -0.036 1.00 0.00 C ATOM 0 H5' C A 98 4.711 -9.551 1.992 1.00 0.00 H new ATOM 0 H5'' C A 98 5.858 -8.254 1.722 1.00 0.00 H new ATOM 0 H4' C A 98 7.079 -10.037 1.074 1.00 0.00 H new ATOM 0 H3' C A 98 6.605 -8.408 -1.036 1.00 0.00 H new ATOM 0 H2' C A 98 4.513 -9.461 -1.826 1.00 0.00 H new ATOM 0 HO2' C A 98 5.683 -9.505 -3.603 1.00 0.00 H new ATOM 0 H1' C A 98 5.580 -12.247 -1.502 1.00 0.00 H new ATOM 0 H41 C A 98 -0.943 -12.104 -0.402 1.00 0.00 H new ATOM 0 H42 C A 98 -0.681 -13.105 -1.834 1.00 0.00 H new ATOM 0 H5 C A 98 0.865 -10.949 0.732 1.00 0.00 H new ATOM 0 H6 C A 98 3.274 -10.514 0.724 1.00 0.00 H new ATOM 1561 P A A 99 9.156 -9.364 -0.895 1.00 0.00 P ATOM 1562 OP1 A A 99 10.212 -10.390 -1.048 1.00 0.00 O ATOM 1563 OP2 A A 99 8.965 -8.706 0.417 1.00 0.00 O ATOM 1564 O5' A A 99 9.414 -8.226 -2.008 1.00 0.00 O ATOM 1565 C5' A A 99 8.866 -6.930 -1.873 1.00 0.00 C ATOM 1566 C4' A A 99 9.260 -6.078 -3.081 1.00 0.00 C ATOM 1567 O4' A A 99 8.451 -6.420 -4.197 1.00 0.00 O ATOM 1568 C3' A A 99 9.030 -4.587 -2.805 1.00 0.00 C ATOM 1569 O3' A A 99 10.103 -3.817 -3.305 1.00 0.00 O ATOM 1570 C2' A A 99 7.781 -4.281 -3.618 1.00 0.00 C ATOM 1571 O2' A A 99 7.721 -2.917 -3.989 1.00 0.00 O ATOM 1572 C1' A A 99 8.008 -5.212 -4.792 1.00 0.00 C ATOM 1573 N9 A A 99 6.780 -5.345 -5.601 1.00 0.00 N ATOM 1574 C8 A A 99 6.477 -4.630 -6.722 1.00 0.00 C ATOM 1575 N7 A A 99 5.344 -4.950 -7.285 1.00 0.00 N ATOM 1576 C5 A A 99 4.846 -5.949 -6.449 1.00 0.00 C ATOM 1577 C6 A A 99 3.668 -6.722 -6.473 1.00 0.00 C ATOM 1578 N6 A A 99 2.735 -6.615 -7.422 1.00 0.00 N ATOM 1579 N1 A A 99 3.470 -7.616 -5.493 1.00 0.00 N ATOM 1580 C2 A A 99 4.383 -7.726 -4.538 1.00 0.00 C ATOM 1581 N3 A A 99 5.524 -7.067 -4.393 1.00 0.00 N ATOM 1582 C4 A A 99 5.705 -6.184 -5.406 1.00 0.00 C ATOM 0 H5' A A 99 9.226 -6.466 -0.955 1.00 0.00 H new ATOM 0 H5'' A A 99 7.780 -6.989 -1.796 1.00 0.00 H new ATOM 0 H4' A A 99 10.315 -6.266 -3.279 1.00 0.00 H new ATOM 0 H3' A A 99 8.942 -4.362 -1.742 1.00 0.00 H new ATOM 0 H2' A A 99 6.832 -4.433 -3.104 1.00 0.00 H new ATOM 0 HO2' A A 99 8.629 -2.554 -4.048 1.00 0.00 H new ATOM 0 H1' A A 99 8.747 -4.850 -5.506 1.00 0.00 H new ATOM 0 H8 A A 99 7.124 -3.859 -7.113 1.00 0.00 H new ATOM 0 H61 A A 99 1.902 -7.202 -7.387 1.00 0.00 H new ATOM 0 H62 A A 99 2.855 -5.946 -8.182 1.00 0.00 H new ATOM 0 H2 A A 99 4.167 -8.455 -3.771 1.00 0.00 H new ATOM 1594 P A A 100 11.305 -3.340 -2.343 1.00 0.00 P ATOM 1595 OP1 A A 100 11.584 -4.407 -1.353 1.00 0.00 O ATOM 1596 OP2 A A 100 11.023 -1.962 -1.884 1.00 0.00 O ATOM 1597 O5' A A 100 12.528 -3.299 -3.380 1.00 0.00 O ATOM 1598 C5' A A 100 12.481 -2.431 -4.482 1.00 0.00 C ATOM 1599 C4' A A 100 13.516 -2.832 -5.539 1.00 0.00 C ATOM 1600 O4' A A 100 12.858 -3.169 -6.755 1.00 0.00 O ATOM 1601 C3' A A 100 14.384 -1.627 -5.858 1.00 0.00 C ATOM 1602 O3' A A 100 15.555 -2.021 -6.540 1.00 0.00 O ATOM 1603 C2' A A 100 13.418 -0.882 -6.769 1.00 0.00 C ATOM 1604 O2' A A 100 14.067 0.087 -7.566 1.00 0.00 O ATOM 1605 C1' A A 100 12.798 -2.012 -7.578 1.00 0.00 C ATOM 1606 N9 A A 100 11.414 -1.667 -7.973 1.00 0.00 N ATOM 1607 C8 A A 100 10.260 -1.683 -7.222 1.00 0.00 C ATOM 1608 N7 A A 100 9.197 -1.293 -7.865 1.00 0.00 N ATOM 1609 C5 A A 100 9.674 -1.001 -9.142 1.00 0.00 C ATOM 1610 C6 A A 100 9.060 -0.531 -10.317 1.00 0.00 C ATOM 1611 N6 A A 100 7.758 -0.267 -10.416 1.00 0.00 N ATOM 1612 N1 A A 100 9.817 -0.338 -11.405 1.00 0.00 N ATOM 1613 C2 A A 100 11.115 -0.604 -11.330 1.00 0.00 C ATOM 1614 N3 A A 100 11.816 -1.043 -10.298 1.00 0.00 N ATOM 1615 C4 A A 100 11.023 -1.227 -9.217 1.00 0.00 C ATOM 0 H5' A A 100 12.669 -1.409 -4.153 1.00 0.00 H new ATOM 0 H5'' A A 100 11.483 -2.447 -4.920 1.00 0.00 H new ATOM 0 H4' A A 100 14.096 -3.671 -5.155 1.00 0.00 H new ATOM 0 H3' A A 100 14.752 -1.056 -5.005 1.00 0.00 H new ATOM 0 H2' A A 100 12.676 -0.292 -6.231 1.00 0.00 H new ATOM 0 HO2' A A 100 13.408 0.538 -8.135 1.00 0.00 H new ATOM 0 H1' A A 100 13.334 -2.190 -8.510 1.00 0.00 H new ATOM 0 H8 A A 100 10.238 -1.993 -6.188 1.00 0.00 H new ATOM 0 H61 A A 100 7.372 0.072 -11.297 1.00 0.00 H new ATOM 0 H62 A A 100 7.147 -0.404 -9.611 1.00 0.00 H new ATOM 0 H2 A A 100 11.677 -0.439 -12.238 1.00 0.00 H new ATOM 1627 P A A 101 16.883 -2.409 -5.725 1.00 0.00 P ATOM 1628 OP1 A A 101 17.896 -2.898 -6.687 1.00 0.00 O ATOM 1629 OP2 A A 101 16.501 -3.253 -4.568 1.00 0.00 O ATOM 1630 O5' A A 101 17.362 -0.972 -5.179 1.00 0.00 O ATOM 1631 C5' A A 101 17.480 0.120 -6.070 1.00 0.00 C ATOM 1632 C4' A A 101 18.204 1.315 -5.442 1.00 0.00 C ATOM 1633 O4' A A 101 17.483 1.818 -4.328 1.00 0.00 O ATOM 1634 C3' A A 101 19.593 0.909 -4.960 1.00 0.00 C ATOM 1635 O3' A A 101 20.487 1.992 -5.130 1.00 0.00 O ATOM 1636 C2' A A 101 19.353 0.622 -3.486 1.00 0.00 C ATOM 1637 O2' A A 101 20.521 0.812 -2.707 1.00 0.00 O ATOM 1638 C1' A A 101 18.250 1.623 -3.153 1.00 0.00 C ATOM 1639 N9 A A 101 17.400 1.105 -2.065 1.00 0.00 N ATOM 1640 C8 A A 101 16.983 -0.184 -1.858 1.00 0.00 C ATOM 1641 N7 A A 101 16.256 -0.342 -0.784 1.00 0.00 N ATOM 1642 C5 A A 101 16.190 0.943 -0.245 1.00 0.00 C ATOM 1643 C6 A A 101 15.578 1.481 0.906 1.00 0.00 C ATOM 1644 N6 A A 101 14.872 0.749 1.773 1.00 0.00 N ATOM 1645 N1 A A 101 15.707 2.791 1.148 1.00 0.00 N ATOM 1646 C2 A A 101 16.407 3.533 0.300 1.00 0.00 C ATOM 1647 N3 A A 101 17.033 3.163 -0.810 1.00 0.00 N ATOM 1648 C4 A A 101 16.879 1.835 -1.027 1.00 0.00 C ATOM 0 H5' A A 101 16.486 0.430 -6.393 1.00 0.00 H new ATOM 0 H5'' A A 101 18.019 -0.200 -6.962 1.00 0.00 H new ATOM 0 H4' A A 101 18.282 2.084 -6.210 1.00 0.00 H new ATOM 0 H3' A A 101 20.030 0.065 -5.494 1.00 0.00 H new ATOM 0 H2' A A 101 19.079 -0.411 -3.274 1.00 0.00 H new ATOM 0 HO2' A A 101 20.322 0.619 -1.767 1.00 0.00 H new ATOM 0 HO3' A A 101 21.097 2.036 -4.364 1.00 0.00 H new ATOM 0 H1' A A 101 18.679 2.567 -2.817 1.00 0.00 H new ATOM 0 H8 A A 101 17.233 -0.997 -2.524 1.00 0.00 H new ATOM 0 H61 A A 101 14.451 1.192 2.590 1.00 0.00 H new ATOM 0 H62 A A 101 14.754 -0.252 1.618 1.00 0.00 H new ATOM 0 H2 A A 101 16.477 4.582 0.547 1.00 0.00 H new TER 1661 A A 101