USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 8 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.5!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.75! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0457) USER MOD Single : A 22 SER OG : rot -112:sc= -0.617 USER MOD Single : A 25 CYS SG : rot 63:sc= -4.56! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -117:sc= 1.31 USER MOD Single : A 30 THR OG1 : rot 2:sc= 0.26 USER MOD Single : A 37 HIS : no HE2:sc= -6.63! C(o=-6.6!,f=-8.1!) USER MOD Single : A 41 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -3.52! C(o=-3.5!,f=-2.8!) USER MOD Single : A 46 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.6!) USER MOD Single : A 48 CYS SG : rot 61:sc= 0.0795 USER MOD Single : A 53 SER OG : rot 69:sc= 1.13! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.394 K(o=-0.39,f=0.55) USER MOD Single : A 65 SER OG : rot -122:sc= -0.102 USER MOD Single : A 67 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -127:sc= 1.27 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.0532 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 122 MET CE :methyl 155:sc= -2.27 (180deg=-3.34!) USER MOD Single : A 124 CYS SG : rot 21:sc= -0.992 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.719 3.386 -19.549 1.00 0.00 N ATOM 59 CA VAL A 4 2.398 4.393 -18.747 1.00 0.00 C ATOM 60 C VAL A 4 2.400 5.741 -19.464 1.00 0.00 C ATOM 61 O VAL A 4 2.571 5.808 -20.681 1.00 0.00 O ATOM 62 CB VAL A 4 3.852 3.988 -18.432 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.933 3.293 -17.082 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.422 3.099 -19.531 1.00 0.00 C ATOM 0 HA VAL A 4 1.849 4.475 -17.809 1.00 0.00 H new ATOM 0 HB VAL A 4 4.454 4.896 -18.388 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.967 3.015 -16.877 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.578 3.968 -16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.312 2.397 -17.096 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.448 2.828 -19.284 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.819 2.195 -19.617 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.407 3.637 -20.479 1.00 0.00 H new ATOM 74 N VAL A 5 2.202 6.809 -18.701 1.00 0.00 N ATOM 75 CA VAL A 5 2.174 8.157 -19.259 1.00 0.00 C ATOM 76 C VAL A 5 3.583 8.727 -19.411 1.00 0.00 C ATOM 77 O VAL A 5 4.488 8.384 -18.649 1.00 0.00 O ATOM 78 CB VAL A 5 1.340 9.113 -18.385 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.143 8.802 -18.518 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.782 9.031 -16.931 1.00 0.00 C ATOM 0 H VAL A 5 2.058 6.768 -17.692 1.00 0.00 H new ATOM 0 HA VAL A 5 1.711 8.076 -20.242 1.00 0.00 H new ATOM 0 HB VAL A 5 1.506 10.132 -18.734 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.716 9.487 -17.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.447 8.918 -19.558 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.330 7.777 -18.198 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.182 9.713 -16.329 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.648 8.012 -16.567 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.833 9.309 -16.854 1.00 0.00 H new ATOM 90 N PRO A 6 3.788 9.609 -20.407 1.00 0.00 N ATOM 91 CA PRO A 6 5.093 10.230 -20.667 1.00 0.00 C ATOM 92 C PRO A 6 5.760 10.754 -19.398 1.00 0.00 C ATOM 93 O PRO A 6 6.978 10.668 -19.247 1.00 0.00 O ATOM 94 CB PRO A 6 4.746 11.386 -21.605 1.00 0.00 C ATOM 95 CG PRO A 6 3.533 10.924 -22.334 1.00 0.00 C ATOM 96 CD PRO A 6 2.760 10.070 -21.363 1.00 0.00 C ATOM 0 HA PRO A 6 5.807 9.518 -21.082 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.550 12.303 -21.049 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.565 11.599 -22.292 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.934 11.771 -22.670 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.806 10.354 -23.222 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.976 10.640 -20.864 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.275 9.232 -21.864 1.00 0.00 H new ATOM 104 N ASP A 7 4.954 11.286 -18.486 1.00 0.00 N ATOM 105 CA ASP A 7 5.460 11.811 -17.232 1.00 0.00 C ATOM 106 C ASP A 7 4.600 11.307 -16.082 1.00 0.00 C ATOM 107 O ASP A 7 3.585 11.902 -15.730 1.00 0.00 O ATOM 108 CB ASP A 7 5.485 13.339 -17.260 1.00 0.00 C ATOM 109 CG ASP A 7 6.597 13.882 -18.138 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.507 13.725 -19.374 1.00 0.00 O ATOM 111 OD2 ASP A 7 7.556 14.463 -17.589 1.00 0.00 O ATOM 0 H ASP A 7 3.943 11.363 -18.597 1.00 0.00 H new ATOM 0 HA ASP A 7 6.482 11.462 -17.087 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.526 13.709 -17.622 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.610 13.717 -16.245 1.00 0.00 H new ATOM 116 N GLN A 8 5.021 10.193 -15.514 1.00 0.00 N ATOM 117 CA GLN A 8 4.311 9.572 -14.406 1.00 0.00 C ATOM 118 C GLN A 8 4.235 10.535 -13.238 1.00 0.00 C ATOM 119 O GLN A 8 3.186 10.699 -12.614 1.00 0.00 O ATOM 120 CB GLN A 8 5.014 8.282 -13.978 1.00 0.00 C ATOM 121 CG GLN A 8 5.019 7.207 -15.052 1.00 0.00 C ATOM 122 CD GLN A 8 6.384 7.017 -15.684 1.00 0.00 C ATOM 123 OE1 GLN A 8 7.401 7.439 -15.133 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.414 6.380 -16.849 1.00 0.00 N ATOM 0 H GLN A 8 5.861 9.693 -15.804 1.00 0.00 H new ATOM 0 HA GLN A 8 3.300 9.325 -14.731 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.043 8.513 -13.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.525 7.890 -13.086 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.690 6.263 -14.617 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.298 7.469 -15.826 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.547 6.047 -17.271 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.304 6.224 -17.322 1.00 0.00 H new ATOM 133 N ARG A 9 5.352 11.190 -12.971 1.00 0.00 N ATOM 134 CA ARG A 9 5.422 12.164 -11.901 1.00 0.00 C ATOM 135 C ARG A 9 4.566 13.367 -12.245 1.00 0.00 C ATOM 136 O ARG A 9 4.115 14.085 -11.360 1.00 0.00 O ATOM 137 CB ARG A 9 6.868 12.598 -11.666 1.00 0.00 C ATOM 138 CG ARG A 9 7.505 13.277 -12.868 1.00 0.00 C ATOM 139 CD ARG A 9 8.324 12.298 -13.694 1.00 0.00 C ATOM 140 NE ARG A 9 9.685 12.779 -13.922 1.00 0.00 N ATOM 141 CZ ARG A 9 10.590 12.929 -12.959 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.283 12.639 -11.700 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.806 13.370 -13.253 1.00 0.00 N ATOM 0 H ARG A 9 6.224 11.063 -13.484 1.00 0.00 H new ATOM 0 HA ARG A 9 5.046 11.707 -10.986 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.900 13.279 -10.816 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.461 11.724 -11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.728 13.719 -13.491 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.144 14.092 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.360 11.335 -13.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.832 12.133 -14.653 1.00 0.00 H new ATOM 0 HE ARG A 9 9.957 13.014 -14.877 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.350 12.299 -11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.981 12.756 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.048 13.594 -14.218 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.499 13.485 -12.514 1.00 0.00 H new ATOM 157 N SER A 10 4.341 13.588 -13.536 1.00 0.00 N ATOM 158 CA SER A 10 3.528 14.724 -13.961 1.00 0.00 C ATOM 159 C SER A 10 2.097 14.585 -13.463 1.00 0.00 C ATOM 160 O SER A 10 1.493 15.558 -13.013 1.00 0.00 O ATOM 161 CB SER A 10 3.541 14.876 -15.485 1.00 0.00 C ATOM 162 OG SER A 10 4.664 15.626 -15.915 1.00 0.00 O ATOM 0 H SER A 10 4.702 13.009 -14.294 1.00 0.00 H new ATOM 0 HA SER A 10 3.965 15.621 -13.522 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.558 13.891 -15.951 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.625 15.368 -15.812 1.00 0.00 H new ATOM 0 HG SER A 10 4.568 15.843 -16.866 1.00 0.00 H new ATOM 168 N LYS A 11 1.557 13.376 -13.541 1.00 0.00 N ATOM 169 CA LYS A 11 0.197 13.133 -13.088 1.00 0.00 C ATOM 170 C LYS A 11 0.158 12.884 -11.597 1.00 0.00 C ATOM 171 O LYS A 11 -0.757 13.326 -10.914 1.00 0.00 O ATOM 172 CB LYS A 11 -0.425 11.955 -13.842 1.00 0.00 C ATOM 173 CG LYS A 11 -0.989 12.333 -15.203 1.00 0.00 C ATOM 174 CD LYS A 11 0.117 12.655 -16.197 1.00 0.00 C ATOM 175 CE LYS A 11 -0.035 14.056 -16.768 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.818 14.058 -18.034 1.00 0.00 N ATOM 0 H LYS A 11 2.037 12.555 -13.911 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.390 14.027 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.329 11.179 -13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.221 11.525 -13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.596 11.513 -15.586 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.647 13.195 -15.098 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.086 12.565 -15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.101 11.927 -17.008 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.528 14.695 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.951 14.483 -16.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.899 15.032 -18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.335 13.469 -18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.768 13.675 -17.855 1.00 0.00 H new ATOM 190 N PHE A 12 1.163 12.204 -11.081 1.00 0.00 N ATOM 191 CA PHE A 12 1.223 11.943 -9.668 1.00 0.00 C ATOM 192 C PHE A 12 1.515 13.249 -8.926 1.00 0.00 C ATOM 193 O PHE A 12 1.234 13.371 -7.734 1.00 0.00 O ATOM 194 CB PHE A 12 2.274 10.856 -9.390 1.00 0.00 C ATOM 195 CG PHE A 12 2.920 10.936 -8.042 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.899 11.876 -7.804 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.558 10.067 -7.024 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.512 11.959 -6.567 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.165 10.138 -5.782 1.00 0.00 C ATOM 200 CZ PHE A 12 4.144 11.088 -5.554 1.00 0.00 C ATOM 0 H PHE A 12 1.942 11.827 -11.621 1.00 0.00 H new ATOM 0 HA PHE A 12 0.267 11.567 -9.304 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.802 9.879 -9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.050 10.917 -10.153 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.191 12.555 -8.592 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.793 9.326 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.276 12.701 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.876 9.456 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.621 11.151 -4.587 1.00 0.00 H new ATOM 210 N GLU A 13 2.072 14.230 -9.647 1.00 0.00 N ATOM 211 CA GLU A 13 2.386 15.529 -9.049 1.00 0.00 C ATOM 212 C GLU A 13 1.337 16.591 -9.383 1.00 0.00 C ATOM 213 O GLU A 13 1.157 17.550 -8.634 1.00 0.00 O ATOM 214 CB GLU A 13 3.776 16.009 -9.488 1.00 0.00 C ATOM 215 CG GLU A 13 3.799 16.697 -10.846 1.00 0.00 C ATOM 216 CD GLU A 13 5.203 16.856 -11.397 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.863 15.826 -11.649 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.643 18.011 -11.575 1.00 0.00 O ATOM 0 H GLU A 13 2.312 14.149 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 13 2.380 15.387 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.164 16.698 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.451 15.154 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.199 16.121 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.334 17.679 -10.759 1.00 0.00 H new ATOM 225 N ASN A 14 0.680 16.442 -10.531 1.00 0.00 N ATOM 226 CA ASN A 14 -0.308 17.425 -10.973 1.00 0.00 C ATOM 227 C ASN A 14 -1.746 16.994 -10.692 1.00 0.00 C ATOM 228 O ASN A 14 -2.613 17.839 -10.469 1.00 0.00 O ATOM 229 CB ASN A 14 -0.139 17.699 -12.468 1.00 0.00 C ATOM 230 CG ASN A 14 -0.745 19.025 -12.886 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.038 20.016 -13.062 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.063 19.048 -13.048 1.00 0.00 N ATOM 0 H ASN A 14 0.812 15.657 -11.168 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.126 18.333 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.922 17.693 -12.718 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.605 16.894 -13.037 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.527 19.912 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.611 18.202 -12.891 1.00 0.00 H new ATOM 239 N GLU A 15 -2.010 15.693 -10.714 1.00 0.00 N ATOM 240 CA GLU A 15 -3.368 15.206 -10.469 1.00 0.00 C ATOM 241 C GLU A 15 -3.822 15.547 -9.049 1.00 0.00 C ATOM 242 O GLU A 15 -3.058 15.414 -8.096 1.00 0.00 O ATOM 243 CB GLU A 15 -3.456 13.701 -10.719 1.00 0.00 C ATOM 244 CG GLU A 15 -3.692 13.343 -12.176 1.00 0.00 C ATOM 245 CD GLU A 15 -5.057 13.778 -12.671 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.014 13.759 -11.869 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.169 14.139 -13.862 1.00 0.00 O ATOM 0 H GLU A 15 -1.318 14.966 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.038 15.707 -11.167 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.533 13.230 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.264 13.287 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.922 13.810 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.591 12.265 -12.302 1.00 0.00 H new ATOM 254 N GLU A 16 -5.065 16.016 -8.928 1.00 0.00 N ATOM 255 CA GLU A 16 -5.626 16.414 -7.632 1.00 0.00 C ATOM 256 C GLU A 16 -5.699 15.250 -6.645 1.00 0.00 C ATOM 257 O GLU A 16 -4.856 15.139 -5.757 1.00 0.00 O ATOM 258 CB GLU A 16 -7.014 17.045 -7.808 1.00 0.00 C ATOM 259 CG GLU A 16 -7.885 16.355 -8.845 1.00 0.00 C ATOM 260 CD GLU A 16 -8.218 17.253 -10.021 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.277 17.735 -10.685 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.421 17.474 -10.277 1.00 0.00 O ATOM 0 H GLU A 16 -5.706 16.130 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.947 17.156 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.531 17.032 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.892 18.091 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.374 15.463 -9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.810 16.023 -8.374 1.00 0.00 H new ATOM 269 N PHE A 17 -6.702 14.383 -6.794 1.00 0.00 N ATOM 270 CA PHE A 17 -6.851 13.238 -5.898 1.00 0.00 C ATOM 271 C PHE A 17 -5.532 12.489 -5.803 1.00 0.00 C ATOM 272 O PHE A 17 -5.128 12.041 -4.730 1.00 0.00 O ATOM 273 CB PHE A 17 -7.986 12.324 -6.398 1.00 0.00 C ATOM 274 CG PHE A 17 -7.660 10.852 -6.404 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.794 10.327 -7.349 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.222 9.999 -5.468 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.492 8.977 -7.359 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.925 8.649 -5.474 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.058 8.138 -6.421 1.00 0.00 C ATOM 0 H PHE A 17 -7.416 14.451 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.117 13.583 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.864 12.484 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.256 12.625 -7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.349 10.979 -8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.900 10.393 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.814 8.580 -8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.370 7.994 -4.739 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.824 7.084 -6.427 1.00 0.00 H new ATOM 289 N PHE A 18 -4.867 12.367 -6.942 1.00 0.00 N ATOM 290 CA PHE A 18 -3.598 11.686 -7.024 1.00 0.00 C ATOM 291 C PHE A 18 -2.582 12.421 -6.160 1.00 0.00 C ATOM 292 O PHE A 18 -1.682 11.810 -5.595 1.00 0.00 O ATOM 293 CB PHE A 18 -3.166 11.687 -8.478 1.00 0.00 C ATOM 294 CG PHE A 18 -2.438 10.464 -8.905 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.227 10.098 -8.356 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.003 9.677 -9.878 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.585 8.949 -8.785 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.376 8.529 -10.315 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.162 8.162 -9.768 1.00 0.00 C ATOM 0 H PHE A 18 -5.198 12.740 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.676 10.660 -6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.049 11.807 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.529 12.554 -8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.778 10.710 -7.588 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.952 9.961 -10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.364 8.667 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.832 7.920 -11.081 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.664 7.265 -10.105 1.00 0.00 H new ATOM 309 N ARG A 19 -2.764 13.736 -6.041 1.00 0.00 N ATOM 310 CA ARG A 19 -1.898 14.565 -5.215 1.00 0.00 C ATOM 311 C ARG A 19 -2.353 14.464 -3.767 1.00 0.00 C ATOM 312 O ARG A 19 -1.619 13.983 -2.897 1.00 0.00 O ATOM 313 CB ARG A 19 -1.949 16.025 -5.671 1.00 0.00 C ATOM 314 CG ARG A 19 -0.878 16.385 -6.688 1.00 0.00 C ATOM 315 CD ARG A 19 0.112 17.398 -6.128 1.00 0.00 C ATOM 316 NE ARG A 19 1.461 16.844 -6.026 1.00 0.00 N ATOM 317 CZ ARG A 19 1.861 16.042 -5.042 1.00 0.00 C ATOM 318 NH1 ARG A 19 1.019 15.698 -4.075 1.00 0.00 N ATOM 319 NH2 ARG A 19 3.105 15.584 -5.024 1.00 0.00 N ATOM 0 H ARG A 19 -3.510 14.249 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.871 14.213 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.930 16.228 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.843 16.672 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.345 15.483 -6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.348 16.792 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.129 18.280 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.221 17.725 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 19 2.135 17.086 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.061 16.049 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.330 15.083 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.756 15.846 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.411 14.969 -4.270 1.00 0.00 H new ATOM 333 N LYS A 20 -3.592 14.898 -3.525 1.00 0.00 N ATOM 334 CA LYS A 20 -4.184 14.841 -2.193 1.00 0.00 C ATOM 335 C LYS A 20 -3.895 13.488 -1.557 1.00 0.00 C ATOM 336 O LYS A 20 -3.705 13.384 -0.345 1.00 0.00 O ATOM 337 CB LYS A 20 -5.694 15.083 -2.273 1.00 0.00 C ATOM 338 CG LYS A 20 -6.061 16.475 -2.771 1.00 0.00 C ATOM 339 CD LYS A 20 -6.923 16.420 -4.025 1.00 0.00 C ATOM 340 CE LYS A 20 -8.373 16.765 -3.723 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.967 15.841 -2.719 1.00 0.00 N ATOM 0 H LYS A 20 -4.204 15.293 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.743 15.622 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.138 14.340 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.131 14.932 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.595 17.012 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.151 17.037 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.530 17.114 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.869 15.422 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.433 17.789 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.955 16.723 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.988 16.023 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.812 14.857 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.516 15.997 -1.795 1.00 0.00 H new ATOM 355 N LEU A 21 -3.829 12.459 -2.399 1.00 0.00 N ATOM 356 CA LEU A 21 -3.523 11.114 -1.934 1.00 0.00 C ATOM 357 C LEU A 21 -2.015 10.895 -1.962 1.00 0.00 C ATOM 358 O LEU A 21 -1.454 10.272 -1.061 1.00 0.00 O ATOM 359 CB LEU A 21 -4.226 10.062 -2.795 1.00 0.00 C ATOM 360 CG LEU A 21 -5.740 9.930 -2.583 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.223 8.573 -3.067 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.107 10.128 -1.119 1.00 0.00 C ATOM 0 H LEU A 21 -3.983 12.534 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.886 11.009 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.044 10.297 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.765 9.094 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.232 10.709 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.299 8.493 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.002 8.465 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.716 7.786 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.186 10.029 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.603 9.375 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.795 11.122 -0.797 1.00 0.00 H new ATOM 374 N SER A 22 -1.354 11.442 -2.990 1.00 0.00 N ATOM 375 CA SER A 22 0.104 11.330 -3.120 1.00 0.00 C ATOM 376 C SER A 22 0.803 11.820 -1.855 1.00 0.00 C ATOM 377 O SER A 22 2.000 11.605 -1.671 1.00 0.00 O ATOM 378 CB SER A 22 0.605 12.131 -4.321 1.00 0.00 C ATOM 379 OG SER A 22 0.707 11.313 -5.474 1.00 0.00 O ATOM 0 H SER A 22 -1.804 11.965 -3.741 1.00 0.00 H new ATOM 0 HA SER A 22 0.341 10.277 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.075 12.960 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.578 12.565 -4.092 1.00 0.00 H new ATOM 0 HG SER A 22 1.651 11.203 -5.714 1.00 0.00 H new ATOM 385 N ARG A 23 0.052 12.482 -0.987 1.00 0.00 N ATOM 386 CA ARG A 23 0.599 12.995 0.253 1.00 0.00 C ATOM 387 C ARG A 23 0.281 12.037 1.391 1.00 0.00 C ATOM 388 O ARG A 23 -0.090 10.884 1.153 1.00 0.00 O ATOM 389 CB ARG A 23 0.016 14.380 0.541 1.00 0.00 C ATOM 390 CG ARG A 23 -0.165 15.238 -0.705 1.00 0.00 C ATOM 391 CD ARG A 23 0.876 16.345 -0.780 1.00 0.00 C ATOM 392 NE ARG A 23 0.304 17.656 -0.478 1.00 0.00 N ATOM 393 CZ ARG A 23 1.026 18.718 -0.128 1.00 0.00 C ATOM 394 NH1 ARG A 23 2.347 18.631 -0.034 1.00 0.00 N ATOM 395 NH2 ARG A 23 0.424 19.872 0.129 1.00 0.00 N ATOM 0 H ARG A 23 -0.940 12.675 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 23 1.682 13.083 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.949 14.263 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.670 14.902 1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.094 14.610 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.163 15.676 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.683 16.132 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.316 16.362 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.709 17.763 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.815 17.746 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.894 19.449 0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.591 19.945 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.976 20.687 0.397 1.00 0.00 H new ATOM 409 N GLU A 24 0.442 12.510 2.619 1.00 0.00 N ATOM 410 CA GLU A 24 0.181 11.689 3.798 1.00 0.00 C ATOM 411 C GLU A 24 -1.106 12.114 4.499 1.00 0.00 C ATOM 412 O GLU A 24 -1.290 13.288 4.820 1.00 0.00 O ATOM 413 CB GLU A 24 1.357 11.773 4.775 1.00 0.00 C ATOM 414 CG GLU A 24 2.716 11.677 4.101 1.00 0.00 C ATOM 415 CD GLU A 24 3.802 11.197 5.045 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.893 11.735 6.167 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.561 10.283 4.660 1.00 0.00 O ATOM 0 H GLU A 24 0.752 13.459 2.827 1.00 0.00 H new ATOM 0 HA GLU A 24 0.062 10.658 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.298 12.714 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.267 10.972 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.650 10.996 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.991 12.654 3.704 1.00 0.00 H new ATOM 424 N CYS A 25 -1.991 11.150 4.735 1.00 0.00 N ATOM 425 CA CYS A 25 -3.260 11.422 5.401 1.00 0.00 C ATOM 426 C CYS A 25 -3.746 10.215 6.192 1.00 0.00 C ATOM 427 O CYS A 25 -3.398 9.072 5.894 1.00 0.00 O ATOM 428 CB CYS A 25 -4.324 11.874 4.393 1.00 0.00 C ATOM 429 SG CYS A 25 -4.116 11.205 2.726 1.00 0.00 S ATOM 0 H CYS A 25 -1.852 10.174 4.475 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.090 12.235 6.107 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.306 11.584 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.313 12.963 4.337 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.223 9.910 2.762 1.00 0.00 H new ATOM 435 N GLU A 26 -4.538 10.494 7.220 1.00 0.00 N ATOM 436 CA GLU A 26 -5.071 9.460 8.098 1.00 0.00 C ATOM 437 C GLU A 26 -5.810 8.369 7.330 1.00 0.00 C ATOM 438 O GLU A 26 -6.521 8.635 6.361 1.00 0.00 O ATOM 439 CB GLU A 26 -6.009 10.081 9.135 1.00 0.00 C ATOM 440 CG GLU A 26 -5.468 11.353 9.765 1.00 0.00 C ATOM 441 CD GLU A 26 -5.729 11.421 11.257 1.00 0.00 C ATOM 442 OE1 GLU A 26 -5.573 10.383 11.934 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.088 12.511 11.749 1.00 0.00 O ATOM 0 H GLU A 26 -4.828 11.440 7.468 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.220 8.995 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.966 10.300 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.202 9.351 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.395 11.416 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.924 12.216 9.280 1.00 0.00 H new ATOM 450 N ILE A 27 -5.643 7.140 7.799 1.00 0.00 N ATOM 451 CA ILE A 27 -6.297 5.979 7.201 1.00 0.00 C ATOM 452 C ILE A 27 -6.862 5.068 8.291 1.00 0.00 C ATOM 453 O ILE A 27 -6.609 5.282 9.477 1.00 0.00 O ATOM 454 CB ILE A 27 -5.332 5.171 6.310 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.185 4.596 7.146 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.795 6.044 5.183 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.170 3.825 6.331 1.00 0.00 C ATOM 0 H ILE A 27 -5.053 6.918 8.601 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.107 6.353 6.574 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.880 4.339 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.679 5.411 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.598 3.940 7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.115 5.460 4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.625 6.403 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.260 6.895 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.387 3.447 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.662 2.989 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.729 4.483 5.582 1.00 0.00 H new ATOM 469 N LYS A 28 -7.632 4.059 7.892 1.00 0.00 N ATOM 470 CA LYS A 28 -8.229 3.137 8.858 1.00 0.00 C ATOM 471 C LYS A 28 -8.576 1.798 8.211 1.00 0.00 C ATOM 472 O LYS A 28 -8.515 1.652 6.991 1.00 0.00 O ATOM 473 CB LYS A 28 -9.486 3.756 9.471 1.00 0.00 C ATOM 474 CG LYS A 28 -10.435 4.351 8.443 1.00 0.00 C ATOM 475 CD LYS A 28 -11.886 4.184 8.862 1.00 0.00 C ATOM 476 CE LYS A 28 -12.732 5.365 8.416 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.777 5.710 9.419 1.00 0.00 N ATOM 0 H LYS A 28 -7.856 3.859 6.917 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.494 2.955 9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.015 2.993 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.191 4.535 10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.213 5.410 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.276 3.870 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.286 3.265 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.944 4.082 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.089 6.229 8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.207 5.132 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.332 6.520 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.406 4.894 9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.324 5.957 10.322 1.00 0.00 H new ATOM 491 N TYR A 29 -8.941 0.817 9.040 1.00 0.00 N ATOM 492 CA TYR A 29 -9.298 -0.509 8.542 1.00 0.00 C ATOM 493 C TYR A 29 -10.738 -0.534 8.041 1.00 0.00 C ATOM 494 O TYR A 29 -11.662 -0.137 8.752 1.00 0.00 O ATOM 495 CB TYR A 29 -9.107 -1.565 9.630 1.00 0.00 C ATOM 496 CG TYR A 29 -8.705 -2.914 9.079 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.589 -3.045 8.263 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.447 -4.052 9.364 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.223 -4.272 7.746 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.085 -5.285 8.852 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.974 -5.389 8.043 1.00 0.00 C ATOM 502 OH TYR A 29 -7.613 -6.614 7.530 1.00 0.00 O ATOM 0 H TYR A 29 -8.996 0.917 10.054 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.636 -0.740 7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.345 -1.223 10.331 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.034 -1.670 10.193 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.997 -2.172 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.320 -3.974 9.995 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.353 -4.356 7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.670 -6.162 9.085 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.324 -6.945 6.943 1.00 0.00 H new ATOM 512 N THR A 30 -10.920 -0.992 6.805 1.00 0.00 N ATOM 513 CA THR A 30 -12.246 -1.060 6.199 1.00 0.00 C ATOM 514 C THR A 30 -12.300 -2.121 5.099 1.00 0.00 C ATOM 515 O THR A 30 -12.265 -1.798 3.912 1.00 0.00 O ATOM 516 CB THR A 30 -12.625 0.305 5.624 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.746 1.268 6.656 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.927 0.298 4.852 1.00 0.00 C ATOM 0 H THR A 30 -10.165 -1.322 6.204 1.00 0.00 H new ATOM 0 HA THR A 30 -12.959 -1.340 6.974 1.00 0.00 H new ATOM 0 HB THR A 30 -11.818 0.557 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.527 0.854 7.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.131 1.300 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.850 -0.397 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.738 -0.014 5.510 1.00 0.00 H new ATOM 526 N GLY A 31 -12.395 -3.382 5.502 1.00 0.00 N ATOM 527 CA GLY A 31 -12.462 -4.466 4.540 1.00 0.00 C ATOM 528 C GLY A 31 -13.438 -5.541 4.967 1.00 0.00 C ATOM 529 O GLY A 31 -14.517 -5.680 4.388 1.00 0.00 O ATOM 0 H GLY A 31 -12.427 -3.674 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.759 -4.071 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.471 -4.904 4.417 1.00 0.00 H new ATOM 533 N PHE A 32 -13.061 -6.296 5.990 1.00 0.00 N ATOM 534 CA PHE A 32 -13.907 -7.361 6.519 1.00 0.00 C ATOM 535 C PHE A 32 -14.222 -7.117 7.995 1.00 0.00 C ATOM 536 O PHE A 32 -14.847 -7.947 8.652 1.00 0.00 O ATOM 537 CB PHE A 32 -13.225 -8.726 6.346 1.00 0.00 C ATOM 538 CG PHE A 32 -11.741 -8.646 6.107 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.855 -8.590 7.173 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.235 -8.627 4.818 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.491 -8.516 6.954 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.874 -8.553 4.594 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.000 -8.498 5.663 1.00 0.00 C ATOM 0 H PHE A 32 -12.169 -6.191 6.474 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.842 -7.362 5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.407 -9.326 7.237 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.689 -9.249 5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.234 -8.604 8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.912 -8.671 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.811 -8.472 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.493 -8.538 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.936 -8.441 5.489 1.00 0.00 H new ATOM 553 N ARG A 33 -13.776 -5.970 8.505 1.00 0.00 N ATOM 554 CA ARG A 33 -13.992 -5.598 9.900 1.00 0.00 C ATOM 555 C ARG A 33 -15.438 -5.205 10.167 1.00 0.00 C ATOM 556 O ARG A 33 -15.841 -5.032 11.317 1.00 0.00 O ATOM 557 CB ARG A 33 -13.049 -4.453 10.280 1.00 0.00 C ATOM 558 CG ARG A 33 -13.652 -3.060 10.126 1.00 0.00 C ATOM 559 CD ARG A 33 -14.051 -2.778 8.688 1.00 0.00 C ATOM 560 NE ARG A 33 -14.664 -1.460 8.540 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.466 -1.122 7.532 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.758 -2.000 6.580 1.00 0.00 N ATOM 563 NH2 ARG A 33 -15.979 0.101 7.477 1.00 0.00 N ATOM 0 H ARG A 33 -13.258 -5.277 7.965 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.776 -6.470 10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.734 -4.587 11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.153 -4.517 9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.526 -2.968 10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.931 -2.312 10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.171 -2.843 8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.749 -3.543 8.348 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.466 -0.757 9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.367 -2.941 6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.373 -1.733 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.759 0.780 8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.593 0.362 6.706 1.00 0.00 H new ATOM 577 N ASP A 34 -16.209 -5.058 9.103 1.00 0.00 N ATOM 578 CA ASP A 34 -17.611 -4.673 9.222 1.00 0.00 C ATOM 579 C ASP A 34 -18.365 -5.566 10.212 1.00 0.00 C ATOM 580 O ASP A 34 -19.502 -5.265 10.574 1.00 0.00 O ATOM 581 CB ASP A 34 -18.291 -4.729 7.854 1.00 0.00 C ATOM 582 CG ASP A 34 -19.599 -3.960 7.827 1.00 0.00 C ATOM 583 OD1 ASP A 34 -19.555 -2.716 7.717 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.667 -4.602 7.917 1.00 0.00 O ATOM 0 H ASP A 34 -15.890 -5.199 8.144 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.639 -3.652 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.618 -4.322 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.478 -5.769 7.587 1.00 0.00 H new ATOM 589 N ARG A 35 -17.739 -6.658 10.657 1.00 0.00 N ATOM 590 CA ARG A 35 -18.386 -7.556 11.608 1.00 0.00 C ATOM 591 C ARG A 35 -17.494 -7.827 12.829 1.00 0.00 C ATOM 592 O ARG A 35 -17.823 -7.394 13.933 1.00 0.00 O ATOM 593 CB ARG A 35 -18.823 -8.865 10.928 1.00 0.00 C ATOM 594 CG ARG A 35 -18.961 -8.765 9.411 1.00 0.00 C ATOM 595 CD ARG A 35 -17.610 -8.700 8.706 1.00 0.00 C ATOM 596 NE ARG A 35 -17.229 -9.989 8.133 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.628 -10.418 6.937 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.431 -9.672 6.188 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.225 -11.599 6.488 1.00 0.00 N ATOM 0 H ARG A 35 -16.798 -6.937 10.377 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.284 -7.056 11.971 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.099 -9.644 11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.778 -9.179 11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.519 -9.626 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.542 -7.877 9.160 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.649 -7.950 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.847 -8.378 9.414 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.621 -10.597 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.747 -8.763 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.732 -10.007 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.610 -12.179 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.531 -11.928 5.572 1.00 0.00 H new ATOM 613 N PRO A 36 -16.355 -8.542 12.675 1.00 0.00 N ATOM 614 CA PRO A 36 -15.459 -8.848 13.779 1.00 0.00 C ATOM 615 C PRO A 36 -14.222 -7.950 13.798 1.00 0.00 C ATOM 616 O PRO A 36 -13.094 -8.433 13.707 1.00 0.00 O ATOM 617 CB PRO A 36 -15.061 -10.277 13.436 1.00 0.00 C ATOM 618 CG PRO A 36 -14.973 -10.283 11.939 1.00 0.00 C ATOM 619 CD PRO A 36 -15.830 -9.136 11.437 1.00 0.00 C ATOM 0 HA PRO A 36 -15.917 -8.706 14.758 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.108 -10.546 13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.800 -10.994 13.795 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.940 -10.163 11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.326 -11.232 11.536 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.245 -8.418 10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.632 -9.487 10.787 1.00 0.00 H new ATOM 627 N HIS A 37 -14.434 -6.641 13.904 1.00 0.00 N ATOM 628 CA HIS A 37 -13.324 -5.691 13.920 1.00 0.00 C ATOM 629 C HIS A 37 -12.256 -6.090 14.941 1.00 0.00 C ATOM 630 O HIS A 37 -11.072 -6.176 14.613 1.00 0.00 O ATOM 631 CB HIS A 37 -13.829 -4.278 14.217 1.00 0.00 C ATOM 632 CG HIS A 37 -12.739 -3.249 14.232 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.170 -2.779 15.394 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.107 -2.603 13.218 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.238 -1.892 15.100 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.181 -1.766 13.786 1.00 0.00 N ATOM 0 H HIS A 37 -15.358 -6.215 13.980 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.868 -5.706 12.930 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.571 -4.000 13.468 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.334 -4.276 15.183 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.429 -3.071 16.336 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.298 -2.726 12.162 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.626 -1.359 15.813 1.00 0.00 H new ATOM 645 N GLU A 38 -12.680 -6.328 16.180 1.00 0.00 N ATOM 646 CA GLU A 38 -11.756 -6.712 17.246 1.00 0.00 C ATOM 647 C GLU A 38 -10.915 -7.918 16.843 1.00 0.00 C ATOM 648 O GLU A 38 -9.767 -8.053 17.265 1.00 0.00 O ATOM 649 CB GLU A 38 -12.521 -7.014 18.535 1.00 0.00 C ATOM 650 CG GLU A 38 -13.298 -5.825 19.075 1.00 0.00 C ATOM 651 CD GLU A 38 -14.114 -6.174 20.304 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.239 -6.693 20.142 1.00 0.00 O ATOM 653 OE2 GLU A 38 -13.629 -5.928 21.429 1.00 0.00 O ATOM 0 H GLU A 38 -13.655 -6.262 16.471 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.084 -5.872 17.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.213 -7.837 18.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.816 -7.352 19.295 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.603 -5.022 19.320 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.962 -5.446 18.298 1.00 0.00 H new ATOM 660 N GLU A 39 -11.480 -8.772 16.000 1.00 0.00 N ATOM 661 CA GLU A 39 -10.764 -9.941 15.511 1.00 0.00 C ATOM 662 C GLU A 39 -9.940 -9.521 14.317 1.00 0.00 C ATOM 663 O GLU A 39 -8.816 -9.978 14.111 1.00 0.00 O ATOM 664 CB GLU A 39 -11.729 -11.057 15.121 1.00 0.00 C ATOM 665 CG GLU A 39 -11.060 -12.411 14.959 1.00 0.00 C ATOM 666 CD GLU A 39 -11.820 -13.526 15.651 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.058 -13.581 15.503 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.175 -14.344 16.340 1.00 0.00 O ATOM 0 H GLU A 39 -12.430 -8.677 15.642 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.121 -10.330 16.300 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.508 -11.134 15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.221 -10.790 14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.970 -12.642 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.048 -12.362 15.362 1.00 0.00 H new ATOM 675 N ARG A 40 -10.525 -8.616 13.545 1.00 0.00 N ATOM 676 CA ARG A 40 -9.884 -8.072 12.372 1.00 0.00 C ATOM 677 C ARG A 40 -8.536 -7.472 12.739 1.00 0.00 C ATOM 678 O ARG A 40 -7.645 -7.367 11.898 1.00 0.00 O ATOM 679 CB ARG A 40 -10.791 -7.031 11.734 1.00 0.00 C ATOM 680 CG ARG A 40 -11.326 -7.464 10.381 1.00 0.00 C ATOM 681 CD ARG A 40 -12.349 -8.585 10.519 1.00 0.00 C ATOM 682 NE ARG A 40 -11.885 -9.833 9.912 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.680 -10.697 9.278 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.982 -10.462 9.170 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.171 -11.799 8.747 1.00 0.00 N ATOM 0 H ARG A 40 -11.458 -8.243 13.720 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.709 -8.870 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.628 -6.827 12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.240 -6.097 11.620 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.784 -6.611 9.880 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.501 -7.798 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.561 -8.753 11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.285 -8.281 10.050 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.892 -10.056 9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.383 -9.615 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.582 -11.128 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.171 -11.987 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.779 -12.459 8.262 1.00 0.00 H new ATOM 699 N GLN A 41 -8.379 -7.099 14.010 1.00 0.00 N ATOM 700 CA GLN A 41 -7.114 -6.540 14.471 1.00 0.00 C ATOM 701 C GLN A 41 -6.002 -7.546 14.194 1.00 0.00 C ATOM 702 O GLN A 41 -4.942 -7.202 13.665 1.00 0.00 O ATOM 703 CB GLN A 41 -7.180 -6.192 15.965 1.00 0.00 C ATOM 704 CG GLN A 41 -7.053 -7.391 16.893 1.00 0.00 C ATOM 705 CD GLN A 41 -7.436 -7.065 18.324 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.128 -6.080 18.584 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.985 -7.892 19.261 1.00 0.00 N ATOM 0 H GLN A 41 -9.101 -7.173 14.726 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.908 -5.615 13.933 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.386 -5.482 16.196 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.126 -5.689 16.168 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.687 -8.198 16.526 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.026 -7.756 16.870 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.415 -8.696 19.000 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.209 -7.723 20.242 1.00 0.00 H new ATOM 716 N THR A 42 -6.282 -8.804 14.520 1.00 0.00 N ATOM 717 CA THR A 42 -5.344 -9.886 14.277 1.00 0.00 C ATOM 718 C THR A 42 -5.454 -10.326 12.828 1.00 0.00 C ATOM 719 O THR A 42 -4.464 -10.715 12.212 1.00 0.00 O ATOM 720 CB THR A 42 -5.620 -11.064 15.215 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.524 -10.660 16.569 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.670 -12.225 15.013 1.00 0.00 C ATOM 0 H THR A 42 -7.157 -9.097 14.955 1.00 0.00 H new ATOM 0 HA THR A 42 -4.332 -9.532 14.473 1.00 0.00 H new ATOM 0 HB THR A 42 -6.630 -11.396 14.973 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.705 -11.426 17.153 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.921 -13.026 15.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.757 -12.592 13.990 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.647 -11.894 15.194 1.00 0.00 H new ATOM 730 N ARG A 43 -6.663 -10.234 12.276 1.00 0.00 N ATOM 731 CA ARG A 43 -6.879 -10.597 10.885 1.00 0.00 C ATOM 732 C ARG A 43 -6.086 -9.657 9.983 1.00 0.00 C ATOM 733 O ARG A 43 -5.630 -10.049 8.909 1.00 0.00 O ATOM 734 CB ARG A 43 -8.366 -10.559 10.544 1.00 0.00 C ATOM 735 CG ARG A 43 -8.933 -11.921 10.185 1.00 0.00 C ATOM 736 CD ARG A 43 -10.071 -12.318 11.113 1.00 0.00 C ATOM 737 NE ARG A 43 -10.256 -13.767 11.166 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.369 -14.358 11.590 1.00 0.00 C ATOM 739 NH1 ARG A 43 -12.404 -13.632 11.994 1.00 0.00 N ATOM 740 NH2 ARG A 43 -11.450 -15.682 11.609 1.00 0.00 N ATOM 0 H ARG A 43 -7.497 -9.914 12.768 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.529 -11.616 10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.917 -10.156 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.523 -9.876 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.291 -11.907 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.143 -12.670 10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.869 -11.942 12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.994 -11.847 10.776 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.485 -14.360 10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.349 -12.614 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.255 -14.092 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.659 -16.246 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.303 -16.136 11.934 1.00 0.00 H new ATOM 754 N PHE A 44 -5.892 -8.424 10.450 1.00 0.00 N ATOM 755 CA PHE A 44 -5.121 -7.441 9.715 1.00 0.00 C ATOM 756 C PHE A 44 -3.641 -7.788 9.833 1.00 0.00 C ATOM 757 O PHE A 44 -2.957 -8.000 8.831 1.00 0.00 O ATOM 758 CB PHE A 44 -5.392 -6.042 10.266 1.00 0.00 C ATOM 759 CG PHE A 44 -4.191 -5.160 10.218 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.819 -4.542 9.040 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.426 -4.972 11.348 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.699 -3.743 8.989 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.298 -4.176 11.310 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.934 -3.559 10.127 1.00 0.00 C ATOM 0 H PHE A 44 -6.263 -8.088 11.339 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.412 -7.452 8.664 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.198 -5.582 9.695 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.737 -6.123 11.297 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.413 -4.687 8.150 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.711 -5.452 12.273 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.419 -3.262 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.703 -4.036 12.200 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.054 -2.934 10.092 1.00 0.00 H new ATOM 774 N GLN A 45 -3.158 -7.871 11.075 1.00 0.00 N ATOM 775 CA GLN A 45 -1.765 -8.222 11.330 1.00 0.00 C ATOM 776 C GLN A 45 -1.458 -9.588 10.724 1.00 0.00 C ATOM 777 O GLN A 45 -0.332 -9.863 10.309 1.00 0.00 O ATOM 778 CB GLN A 45 -1.482 -8.236 12.836 1.00 0.00 C ATOM 779 CG GLN A 45 -0.489 -7.173 13.277 1.00 0.00 C ATOM 780 CD GLN A 45 -0.098 -7.309 14.736 1.00 0.00 C ATOM 781 OE1 GLN A 45 1.082 -7.419 15.066 1.00 0.00 O ATOM 782 NE2 GLN A 45 -1.092 -7.301 15.617 1.00 0.00 N ATOM 0 H GLN A 45 -3.711 -7.700 11.915 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.123 -7.473 10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.419 -8.093 13.375 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.100 -9.217 13.117 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.406 -7.237 12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.921 -6.186 13.111 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.056 -7.207 15.297 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.891 -7.388 16.613 1.00 0.00 H new ATOM 791 N ASN A 46 -2.488 -10.427 10.654 1.00 0.00 N ATOM 792 CA ASN A 46 -2.366 -11.758 10.074 1.00 0.00 C ATOM 793 C ASN A 46 -2.350 -11.644 8.556 1.00 0.00 C ATOM 794 O ASN A 46 -1.748 -12.462 7.859 1.00 0.00 O ATOM 795 CB ASN A 46 -3.526 -12.647 10.524 1.00 0.00 C ATOM 796 CG ASN A 46 -3.409 -14.063 9.993 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.469 -14.392 9.270 1.00 0.00 O ATOM 798 ND2 ASN A 46 -4.368 -14.909 10.350 1.00 0.00 N ATOM 0 H ASN A 46 -3.423 -10.204 10.995 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.436 -12.213 10.415 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.560 -12.672 11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.466 -12.212 10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.344 -15.875 10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.129 -14.593 10.951 1.00 0.00 H new ATOM 805 N ALA A 47 -2.993 -10.591 8.062 1.00 0.00 N ATOM 806 CA ALA A 47 -3.039 -10.312 6.641 1.00 0.00 C ATOM 807 C ALA A 47 -1.673 -9.824 6.204 1.00 0.00 C ATOM 808 O ALA A 47 -1.238 -10.067 5.078 1.00 0.00 O ATOM 809 CB ALA A 47 -4.111 -9.276 6.332 1.00 0.00 C ATOM 0 H ALA A 47 -3.493 -9.913 8.637 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.296 -11.219 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.130 -9.080 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.083 -9.653 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.889 -8.352 6.866 1.00 0.00 H new ATOM 815 N CYS A 48 -0.978 -9.168 7.135 1.00 0.00 N ATOM 816 CA CYS A 48 0.368 -8.687 6.870 1.00 0.00 C ATOM 817 C CYS A 48 1.263 -9.880 6.573 1.00 0.00 C ATOM 818 O CYS A 48 2.303 -9.751 5.928 1.00 0.00 O ATOM 819 CB CYS A 48 0.907 -7.904 8.069 1.00 0.00 C ATOM 820 SG CYS A 48 0.036 -6.352 8.387 1.00 0.00 S ATOM 0 H CYS A 48 -1.327 -8.961 8.071 1.00 0.00 H new ATOM 0 HA CYS A 48 0.351 -8.015 6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.845 -8.532 8.958 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.963 -7.689 7.904 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.216 -6.600 8.633 1.00 0.00 H new ATOM 826 N ARG A 49 0.826 -11.054 7.030 1.00 0.00 N ATOM 827 CA ARG A 49 1.567 -12.287 6.792 1.00 0.00 C ATOM 828 C ARG A 49 1.308 -12.771 5.371 1.00 0.00 C ATOM 829 O ARG A 49 2.168 -13.390 4.745 1.00 0.00 O ATOM 830 CB ARG A 49 1.163 -13.370 7.794 1.00 0.00 C ATOM 831 CG ARG A 49 0.891 -12.839 9.190 1.00 0.00 C ATOM 832 CD ARG A 49 0.623 -13.968 10.175 1.00 0.00 C ATOM 833 NE ARG A 49 1.696 -14.101 11.159 1.00 0.00 N ATOM 834 CZ ARG A 49 1.818 -13.325 12.233 1.00 0.00 C ATOM 835 NH1 ARG A 49 0.938 -12.358 12.464 1.00 0.00 N ATOM 836 NH2 ARG A 49 2.822 -13.515 13.078 1.00 0.00 N ATOM 0 H ARG A 49 -0.034 -11.174 7.565 1.00 0.00 H new ATOM 0 HA ARG A 49 2.630 -12.084 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.270 -13.877 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.955 -14.117 7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.745 -12.253 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.033 -12.167 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.320 -13.784 10.689 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.512 -14.906 9.631 1.00 0.00 H new ATOM 0 HE ARG A 49 2.392 -14.832 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.164 -12.207 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.036 -11.766 13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.501 -14.256 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.915 -12.920 13.901 1.00 0.00 H new ATOM 850 N ASP A 50 0.115 -12.464 4.866 1.00 0.00 N ATOM 851 CA ASP A 50 -0.268 -12.845 3.513 1.00 0.00 C ATOM 852 C ASP A 50 0.033 -11.713 2.531 1.00 0.00 C ATOM 853 O ASP A 50 -0.207 -11.840 1.331 1.00 0.00 O ATOM 854 CB ASP A 50 -1.755 -13.201 3.461 1.00 0.00 C ATOM 855 CG ASP A 50 -2.119 -14.308 4.431 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.602 -15.433 4.268 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.920 -14.050 5.353 1.00 0.00 O ATOM 0 H ASP A 50 -0.603 -11.951 5.377 1.00 0.00 H new ATOM 0 HA ASP A 50 0.315 -13.720 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.346 -12.314 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.017 -13.508 2.449 1.00 0.00 H new ATOM 862 N GLY A 51 0.565 -10.607 3.051 1.00 0.00 N ATOM 863 CA GLY A 51 0.897 -9.473 2.211 1.00 0.00 C ATOM 864 C GLY A 51 -0.318 -8.844 1.561 1.00 0.00 C ATOM 865 O GLY A 51 -0.234 -8.338 0.444 1.00 0.00 O ATOM 0 H GLY A 51 0.771 -10.479 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.412 -8.722 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.593 -9.793 1.435 1.00 0.00 H new ATOM 869 N ARG A 52 -1.452 -8.877 2.253 1.00 0.00 N ATOM 870 CA ARG A 52 -2.681 -8.302 1.718 1.00 0.00 C ATOM 871 C ARG A 52 -3.611 -7.788 2.808 1.00 0.00 C ATOM 872 O ARG A 52 -3.962 -8.509 3.739 1.00 0.00 O ATOM 873 CB ARG A 52 -3.416 -9.335 0.876 1.00 0.00 C ATOM 874 CG ARG A 52 -2.886 -9.409 -0.536 1.00 0.00 C ATOM 875 CD ARG A 52 -2.396 -10.807 -0.878 1.00 0.00 C ATOM 876 NE ARG A 52 -3.501 -11.726 -1.145 1.00 0.00 N ATOM 877 CZ ARG A 52 -4.101 -11.844 -2.328 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.709 -11.104 -3.359 1.00 0.00 N ATOM 879 NH2 ARG A 52 -5.096 -12.706 -2.482 1.00 0.00 N ATOM 0 H ARG A 52 -1.546 -9.293 3.180 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.390 -7.450 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.326 -10.314 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.478 -9.090 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.670 -9.116 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.069 -8.697 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.745 -10.759 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.796 -11.192 -0.054 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.832 -12.312 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.943 -10.439 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.174 -11.200 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.401 -13.278 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.556 -12.797 -3.388 1.00 0.00 H new ATOM 893 N SER A 53 -4.031 -6.539 2.652 1.00 0.00 N ATOM 894 CA SER A 53 -4.957 -5.911 3.591 1.00 0.00 C ATOM 895 C SER A 53 -5.911 -4.968 2.863 1.00 0.00 C ATOM 896 O SER A 53 -5.580 -4.424 1.804 1.00 0.00 O ATOM 897 CB SER A 53 -4.211 -5.155 4.690 1.00 0.00 C ATOM 898 OG SER A 53 -3.085 -5.888 5.143 1.00 0.00 O ATOM 0 H SER A 53 -3.744 -5.937 1.880 1.00 0.00 H new ATOM 0 HA SER A 53 -5.537 -6.707 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.889 -4.184 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.885 -4.965 5.526 1.00 0.00 H new ATOM 0 HG SER A 53 -2.406 -5.914 4.437 1.00 0.00 H new ATOM 904 N GLU A 54 -7.086 -4.764 3.448 1.00 0.00 N ATOM 905 CA GLU A 54 -8.086 -3.871 2.876 1.00 0.00 C ATOM 906 C GLU A 54 -8.361 -2.722 3.840 1.00 0.00 C ATOM 907 O GLU A 54 -9.092 -2.882 4.816 1.00 0.00 O ATOM 908 CB GLU A 54 -9.378 -4.634 2.580 1.00 0.00 C ATOM 909 CG GLU A 54 -10.466 -3.773 1.961 1.00 0.00 C ATOM 910 CD GLU A 54 -11.486 -4.588 1.191 1.00 0.00 C ATOM 911 OE1 GLU A 54 -11.080 -5.533 0.483 1.00 0.00 O ATOM 912 OE2 GLU A 54 -12.693 -4.281 1.296 1.00 0.00 O ATOM 0 H GLU A 54 -7.370 -5.207 4.322 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.704 -3.467 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.155 -5.462 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.754 -5.069 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.972 -3.213 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.010 -3.043 1.292 1.00 0.00 H new ATOM 919 N ILE A 55 -7.751 -1.571 3.574 1.00 0.00 N ATOM 920 CA ILE A 55 -7.913 -0.408 4.436 1.00 0.00 C ATOM 921 C ILE A 55 -8.579 0.756 3.708 1.00 0.00 C ATOM 922 O ILE A 55 -8.358 0.966 2.516 1.00 0.00 O ATOM 923 CB ILE A 55 -6.552 0.077 4.979 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.470 -0.020 3.894 1.00 0.00 C ATOM 925 CG2 ILE A 55 -6.151 -0.715 6.216 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.871 -1.404 3.740 1.00 0.00 C ATOM 0 H ILE A 55 -7.142 -1.420 2.770 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.552 -0.728 5.259 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.653 1.124 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.899 0.287 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.673 0.686 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.189 -0.356 6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.905 -0.585 6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.071 -1.772 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.116 -1.388 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.411 -1.708 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.656 -2.113 3.475 1.00 0.00 H new ATOM 938 N ALA A 56 -9.373 1.526 4.447 1.00 0.00 N ATOM 939 CA ALA A 56 -10.047 2.690 3.889 1.00 0.00 C ATOM 940 C ALA A 56 -9.160 3.916 4.038 1.00 0.00 C ATOM 941 O ALA A 56 -8.305 3.966 4.922 1.00 0.00 O ATOM 942 CB ALA A 56 -11.385 2.922 4.573 1.00 0.00 C ATOM 0 H ALA A 56 -9.564 1.363 5.435 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.236 2.509 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.869 3.797 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.022 2.048 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.225 3.087 5.638 1.00 0.00 H new ATOM 948 N PHE A 57 -9.348 4.894 3.168 1.00 0.00 N ATOM 949 CA PHE A 57 -8.538 6.100 3.211 1.00 0.00 C ATOM 950 C PHE A 57 -9.384 7.288 3.673 1.00 0.00 C ATOM 951 O PHE A 57 -10.418 7.590 3.078 1.00 0.00 O ATOM 952 CB PHE A 57 -7.958 6.365 1.820 1.00 0.00 C ATOM 953 CG PHE A 57 -6.604 7.017 1.819 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.086 7.607 2.963 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.838 7.019 0.665 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.833 8.187 2.950 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.585 7.595 0.647 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.081 8.181 1.790 1.00 0.00 C ATOM 0 H PHE A 57 -10.050 4.878 2.428 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.722 5.966 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.891 5.419 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.652 6.998 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.668 7.613 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.227 6.563 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.441 8.645 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.999 7.587 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.101 8.634 1.778 1.00 0.00 H new ATOM 968 N VAL A 58 -8.948 7.952 4.742 1.00 0.00 N ATOM 969 CA VAL A 58 -9.683 9.093 5.281 1.00 0.00 C ATOM 970 C VAL A 58 -9.559 10.317 4.380 1.00 0.00 C ATOM 971 O VAL A 58 -10.421 11.195 4.393 1.00 0.00 O ATOM 972 CB VAL A 58 -9.199 9.468 6.696 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.145 10.474 7.334 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.065 8.229 7.570 1.00 0.00 C ATOM 0 H VAL A 58 -8.094 7.721 5.249 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.728 8.785 5.330 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.215 9.928 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.788 10.727 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.183 11.376 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.143 10.041 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.722 8.520 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.033 7.734 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.344 7.545 7.123 1.00 0.00 H new ATOM 984 N ALA A 59 -8.482 10.373 3.599 1.00 0.00 N ATOM 985 CA ALA A 59 -8.247 11.495 2.694 1.00 0.00 C ATOM 986 C ALA A 59 -9.510 11.863 1.918 1.00 0.00 C ATOM 987 O ALA A 59 -9.936 13.017 1.915 1.00 0.00 O ATOM 988 CB ALA A 59 -7.116 11.166 1.731 1.00 0.00 C ATOM 0 H ALA A 59 -7.759 9.654 3.575 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.964 12.357 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.951 12.010 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.205 10.966 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.381 10.286 1.146 1.00 0.00 H new ATOM 994 N THR A 60 -10.104 10.871 1.263 1.00 0.00 N ATOM 995 CA THR A 60 -11.318 11.088 0.485 1.00 0.00 C ATOM 996 C THR A 60 -12.297 9.929 0.655 1.00 0.00 C ATOM 997 O THR A 60 -13.229 9.774 -0.134 1.00 0.00 O ATOM 998 CB THR A 60 -10.973 11.266 -0.995 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.239 10.154 -1.476 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.158 12.509 -1.274 1.00 0.00 C ATOM 0 H THR A 60 -9.764 9.909 1.255 1.00 0.00 H new ATOM 0 HA THR A 60 -11.796 11.995 0.854 1.00 0.00 H new ATOM 0 HB THR A 60 -11.931 11.358 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.029 10.286 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.948 12.574 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.718 13.390 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.219 12.460 -0.722 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.079 9.111 1.683 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.953 7.979 1.922 1.00 0.00 C ATOM 1010 C GLY A 61 -12.918 6.979 0.784 1.00 0.00 C ATOM 1011 O GLY A 61 -13.957 6.624 0.228 1.00 0.00 O ATOM 0 H GLY A 61 -11.315 9.213 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.659 7.484 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.974 8.334 2.061 1.00 0.00 H new ATOM 1015 N THR A 62 -11.717 6.530 0.434 1.00 0.00 N ATOM 1016 CA THR A 62 -11.545 5.570 -0.650 1.00 0.00 C ATOM 1017 C THR A 62 -11.063 4.222 -0.122 1.00 0.00 C ATOM 1018 O THR A 62 -10.099 4.152 0.640 1.00 0.00 O ATOM 1019 CB THR A 62 -10.548 6.109 -1.680 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.315 5.153 -2.698 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.206 6.480 -1.084 1.00 0.00 C ATOM 0 H THR A 62 -10.848 6.816 0.886 1.00 0.00 H new ATOM 0 HA THR A 62 -12.515 5.425 -1.126 1.00 0.00 H new ATOM 0 HB THR A 62 -11.009 7.012 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.677 5.516 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.550 6.854 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.345 7.253 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.756 5.600 -0.624 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.731 3.151 -0.544 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.356 1.807 -0.124 1.00 0.00 C ATOM 1031 C ASN A 63 -10.166 1.328 -0.943 1.00 0.00 C ATOM 1032 O ASN A 63 -10.123 1.527 -2.158 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.533 0.844 -0.290 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.493 -0.295 0.709 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -12.557 -0.078 1.919 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.383 -1.520 0.206 1.00 0.00 N ATOM 0 H ASN A 63 -12.532 3.189 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.080 1.832 0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.467 1.393 -0.174 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.526 0.437 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.349 -2.326 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.333 -1.654 -0.804 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.187 0.721 -0.282 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.995 0.255 -0.979 1.00 0.00 C ATOM 1045 C LEU A 64 -7.558 -1.137 -0.534 1.00 0.00 C ATOM 1046 O LEU A 64 -7.243 -1.363 0.634 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.844 1.238 -0.756 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.219 2.717 -0.868 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.373 3.554 0.079 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -7.055 3.201 -2.301 1.00 0.00 C ATOM 0 H LEU A 64 -9.194 0.542 0.722 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.250 0.198 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.422 1.061 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.058 1.023 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.265 2.830 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.653 4.603 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.539 3.223 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.319 3.436 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.326 4.255 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.018 3.074 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.704 2.621 -2.957 1.00 0.00 H new ATOM 1062 N SER A 65 -7.493 -2.049 -1.497 1.00 0.00 N ATOM 1063 CA SER A 65 -7.039 -3.411 -1.249 1.00 0.00 C ATOM 1064 C SER A 65 -5.669 -3.565 -1.892 1.00 0.00 C ATOM 1065 O SER A 65 -5.554 -3.605 -3.116 1.00 0.00 O ATOM 1066 CB SER A 65 -8.023 -4.427 -1.832 1.00 0.00 C ATOM 1067 OG SER A 65 -9.184 -4.535 -1.026 1.00 0.00 O ATOM 0 H SER A 65 -7.752 -1.866 -2.466 1.00 0.00 H new ATOM 0 HA SER A 65 -6.979 -3.598 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.304 -4.127 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.540 -5.401 -1.912 1.00 0.00 H new ATOM 0 HG SER A 65 -9.295 -5.464 -0.735 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.624 -3.588 -1.074 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.265 -3.661 -1.603 1.00 0.00 C ATOM 1075 C LEU A 66 -2.545 -4.959 -1.266 1.00 0.00 C ATOM 1076 O LEU A 66 -2.789 -5.582 -0.233 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.448 -2.479 -1.088 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.183 -1.138 -1.091 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.721 -0.820 0.297 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.264 -0.029 -1.575 1.00 0.00 C ATOM 0 H LEU A 66 -4.687 -3.558 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.356 -3.628 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.123 -2.696 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.549 -2.385 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.027 -1.209 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.241 0.138 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.414 -1.602 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.894 -0.768 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.803 0.918 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.400 0.042 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.928 -0.251 -2.588 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.626 -5.328 -2.153 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.811 -6.523 -1.985 1.00 0.00 C ATOM 1094 C GLN A 67 0.638 -6.112 -1.747 1.00 0.00 C ATOM 1095 O GLN A 67 1.332 -5.681 -2.667 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.909 -7.423 -3.219 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.315 -7.528 -3.789 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.406 -7.035 -5.220 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.713 -6.095 -5.611 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.262 -7.671 -6.011 1.00 0.00 N ATOM 0 H GLN A 67 -1.427 -4.807 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.177 -7.086 -1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.241 -7.040 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.557 -8.421 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.643 -8.566 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.999 -6.951 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.816 -8.445 -5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.365 -7.386 -6.985 1.00 0.00 H new ATOM 1109 N PHE A 68 1.077 -6.222 -0.500 1.00 0.00 N ATOM 1110 CA PHE A 68 2.435 -5.837 -0.126 1.00 0.00 C ATOM 1111 C PHE A 68 3.325 -7.026 0.212 1.00 0.00 C ATOM 1112 O PHE A 68 3.052 -7.802 1.128 1.00 0.00 O ATOM 1113 CB PHE A 68 2.411 -4.831 1.031 1.00 0.00 C ATOM 1114 CG PHE A 68 1.110 -4.790 1.777 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.617 -5.905 2.440 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.370 -3.621 1.796 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.591 -5.847 3.104 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.835 -3.558 2.459 1.00 0.00 C ATOM 1119 CZ PHE A 68 -1.316 -4.672 3.112 1.00 0.00 C ATOM 0 H PHE A 68 0.512 -6.575 0.272 1.00 0.00 H new ATOM 0 HA PHE A 68 2.875 -5.364 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.211 -5.077 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.625 -3.837 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.183 -6.825 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.743 -2.746 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.969 -6.719 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.401 -2.638 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.262 -4.626 3.631 1.00 0.00 H new ATOM 1129 N PHE A 69 4.407 -7.127 -0.548 1.00 0.00 N ATOM 1130 CA PHE A 69 5.407 -8.173 -0.389 1.00 0.00 C ATOM 1131 C PHE A 69 6.721 -7.725 -1.021 1.00 0.00 C ATOM 1132 O PHE A 69 6.717 -7.072 -2.064 1.00 0.00 O ATOM 1133 CB PHE A 69 4.948 -9.478 -1.041 1.00 0.00 C ATOM 1134 CG PHE A 69 4.193 -10.391 -0.119 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.642 -10.627 1.174 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.040 -11.024 -0.551 1.00 0.00 C ATOM 1137 CE1 PHE A 69 3.948 -11.479 2.015 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.346 -11.876 0.285 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.801 -12.103 1.569 1.00 0.00 C ATOM 0 H PHE A 69 4.617 -6.475 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 69 5.548 -8.351 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.317 -9.241 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.821 -10.007 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.540 -10.142 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.679 -10.849 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.304 -11.655 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.448 -12.364 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.259 -12.769 2.224 1.00 0.00 H new ATOM 1149 N PRO A 70 7.866 -8.067 -0.412 1.00 0.00 N ATOM 1150 CA PRO A 70 9.174 -7.684 -0.946 1.00 0.00 C ATOM 1151 C PRO A 70 9.288 -7.959 -2.444 1.00 0.00 C ATOM 1152 O PRO A 70 9.251 -9.108 -2.880 1.00 0.00 O ATOM 1153 CB PRO A 70 10.143 -8.563 -0.159 1.00 0.00 C ATOM 1154 CG PRO A 70 9.454 -8.813 1.139 1.00 0.00 C ATOM 1155 CD PRO A 70 7.979 -8.850 0.832 1.00 0.00 C ATOM 0 HA PRO A 70 9.367 -6.616 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.349 -9.495 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.100 -8.063 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.784 -9.754 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.682 -8.027 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.623 -9.871 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.390 -8.411 1.637 1.00 0.00 H new ATOM 1163 N ALA A 71 9.420 -6.892 -3.225 1.00 0.00 N ATOM 1164 CA ALA A 71 9.532 -7.008 -4.674 1.00 0.00 C ATOM 1165 C ALA A 71 10.685 -7.923 -5.082 1.00 0.00 C ATOM 1166 O ALA A 71 10.714 -8.435 -6.202 1.00 0.00 O ATOM 1167 CB ALA A 71 9.703 -5.631 -5.298 1.00 0.00 C ATOM 0 H ALA A 71 9.452 -5.934 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 71 8.610 -7.458 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.786 -5.730 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.840 -5.012 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.606 -5.164 -4.906 1.00 0.00 H new ATOM 1173 N SER A 72 11.636 -8.127 -4.173 1.00 0.00 N ATOM 1174 CA SER A 72 12.786 -8.981 -4.451 1.00 0.00 C ATOM 1175 C SER A 72 12.546 -10.411 -3.970 1.00 0.00 C ATOM 1176 O SER A 72 13.493 -11.138 -3.670 1.00 0.00 O ATOM 1177 CB SER A 72 14.040 -8.411 -3.787 1.00 0.00 C ATOM 1178 OG SER A 72 14.332 -7.113 -4.275 1.00 0.00 O ATOM 0 H SER A 72 11.632 -7.713 -3.241 1.00 0.00 H new ATOM 0 HA SER A 72 12.930 -9.006 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.898 -8.373 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.886 -9.072 -3.974 1.00 0.00 H new ATOM 0 HG SER A 72 15.137 -6.771 -3.833 1.00 0.00 H new ATOM 1319 N PRO A 81 6.843 -12.501 5.631 1.00 0.00 N ATOM 1320 CA PRO A 81 7.186 -11.335 4.813 1.00 0.00 C ATOM 1321 C PRO A 81 8.275 -10.471 5.439 1.00 0.00 C ATOM 1322 O PRO A 81 8.773 -10.764 6.526 1.00 0.00 O ATOM 1323 CB PRO A 81 5.872 -10.540 4.726 1.00 0.00 C ATOM 1324 CG PRO A 81 4.891 -11.252 5.603 1.00 0.00 C ATOM 1325 CD PRO A 81 5.390 -12.659 5.753 1.00 0.00 C ATOM 0 HA PRO A 81 7.583 -11.640 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.017 -9.512 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.513 -10.494 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.814 -10.763 6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.895 -11.240 5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.109 -13.088 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.988 -13.316 4.981 1.00 0.00 H new ATOM 1333 N SER A 82 8.635 -9.399 4.742 1.00 0.00 N ATOM 1334 CA SER A 82 9.664 -8.483 5.225 1.00 0.00 C ATOM 1335 C SER A 82 9.062 -7.130 5.591 1.00 0.00 C ATOM 1336 O SER A 82 8.018 -6.742 5.064 1.00 0.00 O ATOM 1337 CB SER A 82 10.753 -8.301 4.164 1.00 0.00 C ATOM 1338 OG SER A 82 12.042 -8.518 4.714 1.00 0.00 O ATOM 0 H SER A 82 8.231 -9.142 3.841 1.00 0.00 H new ATOM 0 HA SER A 82 10.108 -8.916 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.583 -8.996 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.696 -7.295 3.749 1.00 0.00 H new ATOM 0 HG SER A 82 12.614 -7.746 4.520 1.00 0.00 H new ATOM 1344 N ARG A 83 9.725 -6.414 6.496 1.00 0.00 N ATOM 1345 CA ARG A 83 9.251 -5.103 6.930 1.00 0.00 C ATOM 1346 C ARG A 83 9.343 -4.079 5.796 1.00 0.00 C ATOM 1347 O ARG A 83 8.780 -2.988 5.888 1.00 0.00 O ATOM 1348 CB ARG A 83 10.028 -4.642 8.178 1.00 0.00 C ATOM 1349 CG ARG A 83 11.186 -3.685 7.912 1.00 0.00 C ATOM 1350 CD ARG A 83 10.906 -2.303 8.485 1.00 0.00 C ATOM 1351 NE ARG A 83 11.870 -1.310 8.019 1.00 0.00 N ATOM 1352 CZ ARG A 83 11.678 0.005 8.099 1.00 0.00 C ATOM 1353 NH1 ARG A 83 10.561 0.488 8.628 1.00 0.00 N ATOM 1354 NH2 ARG A 83 12.607 0.839 7.649 1.00 0.00 N ATOM 0 H ARG A 83 10.590 -6.719 6.942 1.00 0.00 H new ATOM 0 HA ARG A 83 8.198 -5.186 7.200 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.330 -4.159 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.417 -5.523 8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.099 -4.085 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.357 -3.608 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.900 -1.991 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.932 -2.350 9.574 1.00 0.00 H new ATOM 0 HE ARG A 83 12.742 -1.644 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.844 -0.149 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.419 1.496 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.468 0.472 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.461 1.847 7.710 1.00 0.00 H new ATOM 1368 N GLU A 84 10.043 -4.443 4.723 1.00 0.00 N ATOM 1369 CA GLU A 84 10.191 -3.562 3.571 1.00 0.00 C ATOM 1370 C GLU A 84 8.831 -3.209 2.990 1.00 0.00 C ATOM 1371 O GLU A 84 8.533 -2.039 2.744 1.00 0.00 O ATOM 1372 CB GLU A 84 11.060 -4.232 2.503 1.00 0.00 C ATOM 1373 CG GLU A 84 12.552 -4.044 2.731 1.00 0.00 C ATOM 1374 CD GLU A 84 13.268 -5.351 3.014 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.666 -6.228 3.670 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.430 -5.498 2.579 1.00 0.00 O ATOM 0 H GLU A 84 10.516 -5.342 4.629 1.00 0.00 H new ATOM 0 HA GLU A 84 10.677 -2.643 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.835 -5.298 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.796 -3.829 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.994 -3.575 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.705 -3.362 3.567 1.00 0.00 H new ATOM 1383 N TYR A 85 8.011 -4.227 2.770 1.00 0.00 N ATOM 1384 CA TYR A 85 6.682 -4.025 2.214 1.00 0.00 C ATOM 1385 C TYR A 85 5.606 -4.280 3.265 1.00 0.00 C ATOM 1386 O TYR A 85 4.487 -3.782 3.152 1.00 0.00 O ATOM 1387 CB TYR A 85 6.484 -4.917 0.991 1.00 0.00 C ATOM 1388 CG TYR A 85 7.204 -4.403 -0.239 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.499 -3.894 -0.154 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.590 -4.424 -1.484 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.155 -3.425 -1.276 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.242 -3.956 -2.609 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.522 -3.459 -2.500 1.00 0.00 C ATOM 1394 OH TYR A 85 9.173 -2.992 -3.619 1.00 0.00 O ATOM 0 H TYR A 85 8.243 -5.200 2.968 1.00 0.00 H new ATOM 0 HA TYR A 85 6.590 -2.986 1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.839 -5.922 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.419 -4.997 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.997 -3.866 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.586 -4.812 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.158 -3.034 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.750 -3.980 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 85 10.138 -3.124 -3.515 1.00 0.00 H new ATOM 1404 N VAL A 86 5.958 -5.031 4.305 1.00 0.00 N ATOM 1405 CA VAL A 86 5.030 -5.311 5.392 1.00 0.00 C ATOM 1406 C VAL A 86 5.773 -5.379 6.716 1.00 0.00 C ATOM 1407 O VAL A 86 6.520 -6.319 6.982 1.00 0.00 O ATOM 1408 CB VAL A 86 4.232 -6.611 5.199 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.792 -6.304 4.814 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.883 -7.517 4.169 1.00 0.00 C ATOM 0 H VAL A 86 6.879 -5.455 4.416 1.00 0.00 H new ATOM 0 HA VAL A 86 4.315 -4.489 5.393 1.00 0.00 H new ATOM 0 HB VAL A 86 4.230 -7.143 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.244 -7.237 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.322 -5.716 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.777 -5.739 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.292 -8.426 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.936 -7.000 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.890 -7.776 4.497 1.00 0.00 H new ATOM 1420 N ASP A 87 5.557 -4.362 7.531 1.00 0.00 N ATOM 1421 CA ASP A 87 6.196 -4.252 8.835 1.00 0.00 C ATOM 1422 C ASP A 87 5.304 -4.802 9.939 1.00 0.00 C ATOM 1423 O ASP A 87 4.079 -4.732 9.853 1.00 0.00 O ATOM 1424 CB ASP A 87 6.538 -2.790 9.128 1.00 0.00 C ATOM 1425 CG ASP A 87 7.292 -2.619 10.433 1.00 0.00 C ATOM 1426 OD1 ASP A 87 6.712 -2.921 11.497 1.00 0.00 O ATOM 1427 OD2 ASP A 87 8.461 -2.182 10.389 1.00 0.00 O ATOM 0 H ASP A 87 4.933 -3.586 7.309 1.00 0.00 H new ATOM 0 HA ASP A 87 7.111 -4.844 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.138 -2.390 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.619 -2.206 9.164 1.00 0.00 H new ATOM 1515 N GLY A 93 4.527 1.852 17.858 1.00 0.00 N ATOM 1516 CA GLY A 93 3.588 0.840 18.307 1.00 0.00 C ATOM 1517 C GLY A 93 2.625 0.409 17.213 1.00 0.00 C ATOM 1518 O GLY A 93 1.693 -0.353 17.466 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.140 -0.030 18.663 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.021 1.226 19.154 1.00 0.00 H new ATOM 1522 N LYS A 94 2.856 0.894 15.996 1.00 0.00 N ATOM 1523 CA LYS A 94 2.013 0.551 14.857 1.00 0.00 C ATOM 1524 C LYS A 94 2.847 -0.169 13.805 1.00 0.00 C ATOM 1525 O LYS A 94 4.056 -0.334 13.970 1.00 0.00 O ATOM 1526 CB LYS A 94 1.373 1.806 14.243 1.00 0.00 C ATOM 1527 CG LYS A 94 1.356 3.012 15.171 1.00 0.00 C ATOM 1528 CD LYS A 94 0.360 2.828 16.305 1.00 0.00 C ATOM 1529 CE LYS A 94 0.798 3.568 17.558 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.095 4.871 17.710 1.00 0.00 N ATOM 0 H LYS A 94 3.623 1.528 15.774 1.00 0.00 H new ATOM 0 HA LYS A 94 1.213 -0.102 15.205 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.913 2.068 13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.350 1.572 13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.353 3.170 15.583 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.101 3.906 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.620 3.189 15.992 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.252 1.766 16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.604 2.947 18.432 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.874 3.739 17.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.423 5.343 18.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.301 5.474 16.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.930 4.707 17.771 1.00 0.00 H new ATOM 1544 N VAL A 95 2.209 -0.596 12.726 1.00 0.00 N ATOM 1545 CA VAL A 95 2.916 -1.296 11.662 1.00 0.00 C ATOM 1546 C VAL A 95 2.637 -0.657 10.303 1.00 0.00 C ATOM 1547 O VAL A 95 1.486 -0.561 9.877 1.00 0.00 O ATOM 1548 CB VAL A 95 2.543 -2.799 11.626 1.00 0.00 C ATOM 1549 CG1 VAL A 95 2.373 -3.343 13.037 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.279 -3.039 10.810 1.00 0.00 C ATOM 0 H VAL A 95 1.210 -0.472 12.563 1.00 0.00 H new ATOM 0 HA VAL A 95 3.981 -1.212 11.876 1.00 0.00 H new ATOM 0 HB VAL A 95 3.362 -3.331 11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.111 -4.400 12.990 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.306 -3.224 13.588 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.580 -2.795 13.545 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.046 -4.104 10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.450 -2.488 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.436 -2.697 9.787 1.00 0.00 H new ATOM 1560 N TYR A 96 3.696 -0.232 9.619 1.00 0.00 N ATOM 1561 CA TYR A 96 3.549 0.383 8.301 1.00 0.00 C ATOM 1562 C TYR A 96 4.057 -0.531 7.198 1.00 0.00 C ATOM 1563 O TYR A 96 5.082 -1.195 7.340 1.00 0.00 O ATOM 1564 CB TYR A 96 4.234 1.755 8.209 1.00 0.00 C ATOM 1565 CG TYR A 96 5.282 2.037 9.263 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.301 1.135 9.541 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.254 3.231 9.971 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.258 1.415 10.500 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.205 3.521 10.925 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.205 2.610 11.188 1.00 0.00 C ATOM 1571 OH TYR A 96 8.158 2.897 12.138 1.00 0.00 O ATOM 0 H TYR A 96 4.658 -0.301 9.951 1.00 0.00 H new ATOM 0 HA TYR A 96 2.480 0.540 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.700 1.843 7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.468 2.528 8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.347 0.201 9.000 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.471 3.947 9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.042 0.702 10.709 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.167 4.457 11.463 1.00 0.00 H new ATOM 0 HH TYR A 96 7.977 3.778 12.528 1.00 0.00 H new ATOM 1581 N LEU A 97 3.319 -0.553 6.096 1.00 0.00 N ATOM 1582 CA LEU A 97 3.670 -1.380 4.952 1.00 0.00 C ATOM 1583 C LEU A 97 3.681 -0.567 3.669 1.00 0.00 C ATOM 1584 O LEU A 97 3.183 0.560 3.624 1.00 0.00 O ATOM 1585 CB LEU A 97 2.712 -2.560 4.803 1.00 0.00 C ATOM 1586 CG LEU A 97 1.329 -2.377 5.424 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.652 -1.128 4.884 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.487 -3.604 5.150 1.00 0.00 C ATOM 0 H LEU A 97 2.469 -0.004 5.971 1.00 0.00 H new ATOM 0 HA LEU A 97 4.673 -1.766 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.587 -2.770 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.176 -3.439 5.250 1.00 0.00 H new ATOM 0 HG LEU A 97 1.439 -2.253 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.331 -1.020 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.260 -0.254 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.542 -1.213 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.500 -3.474 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.386 -3.743 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.968 -4.480 5.586 1.00 0.00 H new ATOM 1600 N LYS A 98 4.257 -1.164 2.635 1.00 0.00 N ATOM 1601 CA LYS A 98 4.358 -0.537 1.323 1.00 0.00 C ATOM 1602 C LYS A 98 3.857 -1.494 0.248 1.00 0.00 C ATOM 1603 O LYS A 98 4.335 -2.623 0.143 1.00 0.00 O ATOM 1604 CB LYS A 98 5.812 -0.146 1.037 1.00 0.00 C ATOM 1605 CG LYS A 98 5.991 1.317 0.666 1.00 0.00 C ATOM 1606 CD LYS A 98 7.131 1.502 -0.322 1.00 0.00 C ATOM 1607 CE LYS A 98 8.478 1.534 0.382 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.592 1.818 -0.563 1.00 0.00 N ATOM 0 H LYS A 98 4.668 -2.097 2.681 1.00 0.00 H new ATOM 0 HA LYS A 98 3.742 0.362 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.417 -0.365 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.193 -0.766 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.067 1.700 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.188 1.901 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.119 0.691 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.987 2.429 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.462 2.295 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.654 0.577 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.493 1.831 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.624 1.079 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.438 2.743 -1.013 1.00 0.00 H new ATOM 1622 N ALA A 99 2.890 -1.046 -0.543 1.00 0.00 N ATOM 1623 CA ALA A 99 2.328 -1.882 -1.596 1.00 0.00 C ATOM 1624 C ALA A 99 2.522 -1.256 -2.976 1.00 0.00 C ATOM 1625 O ALA A 99 2.237 -0.076 -3.176 1.00 0.00 O ATOM 1626 CB ALA A 99 0.852 -2.131 -1.330 1.00 0.00 C ATOM 0 H ALA A 99 2.481 -0.114 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 99 2.860 -2.833 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.440 -2.757 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.735 -2.636 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.321 -1.179 -1.306 1.00 0.00 H new ATOM 1632 N PRO A 100 3.003 -2.047 -3.954 1.00 0.00 N ATOM 1633 CA PRO A 100 3.225 -1.577 -5.314 1.00 0.00 C ATOM 1634 C PRO A 100 2.002 -1.808 -6.198 1.00 0.00 C ATOM 1635 O PRO A 100 1.607 -2.949 -6.438 1.00 0.00 O ATOM 1636 CB PRO A 100 4.394 -2.448 -5.767 1.00 0.00 C ATOM 1637 CG PRO A 100 4.224 -3.745 -5.035 1.00 0.00 C ATOM 1638 CD PRO A 100 3.370 -3.467 -3.817 1.00 0.00 C ATOM 0 HA PRO A 100 3.418 -0.506 -5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.377 -2.600 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.349 -1.982 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.749 -4.488 -5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.192 -4.150 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.488 -4.107 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.920 -3.650 -2.894 1.00 0.00 H new ATOM 1646 N MET A 101 1.399 -0.721 -6.673 1.00 0.00 N ATOM 1647 CA MET A 101 0.214 -0.814 -7.519 1.00 0.00 C ATOM 1648 C MET A 101 0.373 0.020 -8.784 1.00 0.00 C ATOM 1649 O MET A 101 1.331 0.781 -8.923 1.00 0.00 O ATOM 1650 CB MET A 101 -1.024 -0.352 -6.747 1.00 0.00 C ATOM 1651 CG MET A 101 -1.764 -1.482 -6.050 1.00 0.00 C ATOM 1652 SD MET A 101 -2.653 -0.929 -4.580 1.00 0.00 S ATOM 1653 CE MET A 101 -3.930 0.093 -5.309 1.00 0.00 C ATOM 0 H MET A 101 1.711 0.232 -6.487 1.00 0.00 H new ATOM 0 HA MET A 101 0.091 -1.857 -7.809 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.724 0.387 -6.004 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.706 0.147 -7.436 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.469 -1.934 -6.748 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.052 -2.258 -5.769 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.560 0.505 -4.521 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.469 0.907 -5.868 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.539 -0.511 -5.982 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.577 -0.124 -9.701 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.552 0.621 -10.952 1.00 0.00 C ATOM 1665 C ILE A 102 -1.685 1.641 -11.000 1.00 0.00 C ATOM 1666 O ILE A 102 -2.848 1.286 -11.196 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.658 -0.319 -12.172 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.553 -1.256 -12.229 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.776 0.485 -13.464 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.821 -0.586 -12.717 1.00 0.00 C ATOM 0 H ILE A 102 -1.375 -0.751 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 102 0.404 1.142 -10.995 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.559 -0.923 -12.064 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.730 -1.667 -11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.321 -2.095 -12.885 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.850 -0.197 -14.311 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.668 1.111 -13.423 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.105 1.116 -13.582 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.634 -1.312 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.664 -0.199 -13.724 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.079 0.236 -12.049 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.333 2.908 -10.834 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.312 3.990 -10.871 1.00 0.00 C ATOM 1684 C LEU A 103 -2.132 4.805 -12.142 1.00 0.00 C ATOM 1685 O LEU A 103 -1.033 4.892 -12.659 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.177 4.891 -9.643 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.027 4.479 -8.440 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.768 5.405 -7.260 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.505 4.479 -8.806 1.00 0.00 C ATOM 0 H LEU A 103 -0.374 3.215 -10.672 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.311 3.553 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.130 4.911 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.446 5.909 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.745 3.467 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.382 5.096 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.715 5.355 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.022 6.428 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.095 4.183 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.801 5.479 -9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.678 3.775 -9.619 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.221 5.384 -12.641 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.209 6.190 -13.872 1.00 0.00 C ATOM 1703 C ASN A 104 -1.829 6.260 -14.546 1.00 0.00 C ATOM 1704 O ASN A 104 -1.114 7.254 -14.424 1.00 0.00 O ATOM 1705 CB ASN A 104 -3.686 7.607 -13.557 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.012 8.401 -14.807 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -3.334 9.376 -15.132 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.055 7.987 -15.516 1.00 0.00 N ATOM 0 H ASN A 104 -4.141 5.311 -12.207 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.880 5.696 -14.575 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.570 7.556 -12.922 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.915 8.129 -12.990 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.322 8.482 -16.367 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.589 7.174 -15.210 1.00 0.00 H new ATOM 1715 N GLY A 105 -1.483 5.198 -15.277 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.212 5.138 -15.994 1.00 0.00 C ATOM 1717 C GLY A 105 0.988 5.577 -15.171 1.00 0.00 C ATOM 1718 O GLY A 105 1.760 6.429 -15.607 1.00 0.00 O ATOM 0 H GLY A 105 -2.067 4.369 -15.387 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.049 4.116 -16.337 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.279 5.766 -16.882 1.00 0.00 H new ATOM 1722 N VAL A 106 1.142 4.992 -13.988 1.00 0.00 N ATOM 1723 CA VAL A 106 2.246 5.316 -13.092 1.00 0.00 C ATOM 1724 C VAL A 106 2.406 4.223 -12.040 1.00 0.00 C ATOM 1725 O VAL A 106 1.420 3.637 -11.594 1.00 0.00 O ATOM 1726 CB VAL A 106 2.008 6.660 -12.366 1.00 0.00 C ATOM 1727 CG1 VAL A 106 3.097 6.922 -11.336 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.926 7.806 -13.359 1.00 0.00 C ATOM 0 H VAL A 106 0.507 4.282 -13.624 1.00 0.00 H new ATOM 0 HA VAL A 106 3.147 5.393 -13.701 1.00 0.00 H new ATOM 0 HB VAL A 106 1.054 6.593 -11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.907 7.873 -10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.099 6.121 -10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.066 6.960 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.758 8.740 -12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.860 7.871 -13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.101 7.631 -14.050 1.00 0.00 H new ATOM 1738 N CYS A 107 3.641 3.970 -11.621 1.00 0.00 N ATOM 1739 CA CYS A 107 3.890 2.967 -10.596 1.00 0.00 C ATOM 1740 C CYS A 107 3.739 3.613 -9.228 1.00 0.00 C ATOM 1741 O CYS A 107 4.607 4.365 -8.790 1.00 0.00 O ATOM 1742 CB CYS A 107 5.288 2.365 -10.751 1.00 0.00 C ATOM 1743 SG CYS A 107 5.657 1.043 -9.573 1.00 0.00 S ATOM 0 H CYS A 107 4.476 4.440 -11.971 1.00 0.00 H new ATOM 0 HA CYS A 107 3.167 2.158 -10.702 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.394 1.975 -11.763 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.028 3.157 -10.636 1.00 0.00 H new ATOM 0 HG CYS A 107 6.860 0.597 -9.784 1.00 0.00 H new ATOM 1749 N VAL A 108 2.616 3.348 -8.573 1.00 0.00 N ATOM 1750 CA VAL A 108 2.338 3.946 -7.276 1.00 0.00 C ATOM 1751 C VAL A 108 2.644 3.007 -6.119 1.00 0.00 C ATOM 1752 O VAL A 108 2.419 1.800 -6.194 1.00 0.00 O ATOM 1753 CB VAL A 108 0.870 4.397 -7.181 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.659 5.672 -7.983 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.060 3.292 -7.662 1.00 0.00 C ATOM 0 H VAL A 108 1.886 2.725 -8.918 1.00 0.00 H new ATOM 0 HA VAL A 108 2.998 4.810 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 108 0.634 4.605 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.384 5.981 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.300 6.460 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.909 5.490 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.094 3.629 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.169 3.050 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.078 2.405 -7.043 1.00 0.00 H new ATOM 1765 N ILE A 109 3.154 3.594 -5.042 1.00 0.00 N ATOM 1766 CA ILE A 109 3.498 2.852 -3.838 1.00 0.00 C ATOM 1767 C ILE A 109 2.773 3.442 -2.634 1.00 0.00 C ATOM 1768 O ILE A 109 3.133 4.514 -2.148 1.00 0.00 O ATOM 1769 CB ILE A 109 5.017 2.878 -3.557 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.821 2.996 -4.860 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.433 1.637 -2.783 1.00 0.00 C ATOM 1772 CD1 ILE A 109 5.805 1.742 -5.706 1.00 0.00 C ATOM 0 H ILE A 109 3.340 4.595 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 109 3.191 1.819 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 109 5.233 3.757 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.423 3.824 -5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.854 3.245 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.506 1.670 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.897 1.603 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.195 0.748 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.394 1.904 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.231 0.915 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.778 1.502 -5.982 1.00 0.00 H new ATOM 1784 N TRP A 110 1.749 2.745 -2.162 1.00 0.00 N ATOM 1785 CA TRP A 110 0.975 3.210 -1.018 1.00 0.00 C ATOM 1786 C TRP A 110 1.571 2.689 0.285 1.00 0.00 C ATOM 1787 O TRP A 110 1.655 1.481 0.503 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.483 2.764 -1.160 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.316 3.001 0.064 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.098 4.089 0.327 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.452 2.127 1.188 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.712 3.945 1.548 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.332 2.747 2.097 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.915 0.879 1.514 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.685 2.157 3.310 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.265 0.296 2.715 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.143 0.934 3.600 1.00 0.00 C ATOM 0 H TRP A 110 1.435 1.857 -2.552 1.00 0.00 H new ATOM 0 HA TRP A 110 1.009 4.299 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.933 3.292 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.505 1.701 -1.402 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.217 4.939 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.347 4.619 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.238 0.379 0.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.361 2.647 3.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.855 -0.668 2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.398 0.451 4.532 1.00 0.00 H new ATOM 1808 N LYS A 111 1.988 3.611 1.148 1.00 0.00 N ATOM 1809 CA LYS A 111 2.581 3.248 2.426 1.00 0.00 C ATOM 1810 C LYS A 111 1.804 3.874 3.581 1.00 0.00 C ATOM 1811 O LYS A 111 1.363 5.019 3.494 1.00 0.00 O ATOM 1812 CB LYS A 111 4.049 3.685 2.464 1.00 0.00 C ATOM 1813 CG LYS A 111 4.670 3.652 3.852 1.00 0.00 C ATOM 1814 CD LYS A 111 4.404 4.946 4.598 1.00 0.00 C ATOM 1815 CE LYS A 111 4.119 4.696 6.069 1.00 0.00 C ATOM 1816 NZ LYS A 111 3.635 5.925 6.758 1.00 0.00 N ATOM 0 H LYS A 111 1.925 4.616 0.983 1.00 0.00 H new ATOM 0 HA LYS A 111 2.533 2.165 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.627 3.038 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.126 4.697 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.263 2.813 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.745 3.490 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.266 5.606 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.556 5.460 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.372 3.908 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.025 4.338 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.452 5.712 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.358 6.669 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.757 6.252 6.308 1.00 0.00 H new ATOM 1830 N GLY A 112 1.643 3.118 4.662 1.00 0.00 N ATOM 1831 CA GLY A 112 0.919 3.626 5.816 1.00 0.00 C ATOM 1832 C GLY A 112 0.946 2.666 6.986 1.00 0.00 C ATOM 1833 O GLY A 112 1.070 1.458 6.795 1.00 0.00 O ATOM 0 H GLY A 112 1.998 2.167 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.352 4.579 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.116 3.822 5.534 1.00 0.00 H new ATOM 1837 N TRP A 113 0.836 3.197 8.203 1.00 0.00 N ATOM 1838 CA TRP A 113 0.856 2.353 9.393 1.00 0.00 C ATOM 1839 C TRP A 113 -0.527 2.213 10.018 1.00 0.00 C ATOM 1840 O TRP A 113 -1.366 3.112 9.926 1.00 0.00 O ATOM 1841 CB TRP A 113 1.853 2.880 10.430 1.00 0.00 C ATOM 1842 CG TRP A 113 1.597 4.288 10.872 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.265 5.407 10.467 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.616 4.726 11.819 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.751 6.516 11.096 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.740 6.124 11.931 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.358 4.074 12.580 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.071 6.879 12.774 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.162 4.826 13.417 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.015 6.215 13.507 1.00 0.00 C ATOM 0 H TRP A 113 0.733 4.195 8.388 1.00 0.00 H new ATOM 0 HA TRP A 113 1.178 1.363 9.070 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.830 2.228 11.303 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.858 2.820 10.013 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.078 5.419 9.756 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.071 7.475 10.962 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.481 3.003 12.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.042 7.951 12.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.917 4.333 14.012 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.660 6.774 14.169 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.740 1.069 10.661 1.00 0.00 N ATOM 1862 CA ILE A 114 -1.999 0.763 11.325 1.00 0.00 C ATOM 1863 C ILE A 114 -1.772 0.621 12.823 1.00 0.00 C ATOM 1864 O ILE A 114 -0.796 0.003 13.248 1.00 0.00 O ATOM 1865 CB ILE A 114 -2.613 -0.564 10.812 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.958 -0.493 9.323 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -3.855 -0.926 11.618 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -1.756 -0.278 8.428 1.00 0.00 C ATOM 0 H ILE A 114 -0.043 0.328 10.735 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.684 1.583 11.106 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.860 -1.341 10.944 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.457 -1.417 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.669 0.318 9.162 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.272 -1.861 11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.586 -1.044 12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.596 -0.133 11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.079 -0.238 7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.269 0.660 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.053 -1.101 8.559 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.682 1.158 13.623 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.557 1.042 15.065 1.00 0.00 C ATOM 1882 C ASP A 115 -3.186 -0.275 15.515 1.00 0.00 C ATOM 1883 O ASP A 115 -4.314 -0.600 15.141 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.191 2.249 15.770 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.655 2.048 16.096 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -4.952 1.167 16.923 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.501 2.771 15.529 1.00 0.00 O ATOM 0 H ASP A 115 -3.503 1.671 13.302 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.503 1.037 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.645 2.452 16.691 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.084 3.129 15.136 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.425 -1.046 16.280 1.00 0.00 N ATOM 1893 CA LEU A 116 -2.864 -2.359 16.744 1.00 0.00 C ATOM 1894 C LEU A 116 -3.904 -2.298 17.866 1.00 0.00 C ATOM 1895 O LEU A 116 -4.145 -3.300 18.541 1.00 0.00 O ATOM 1896 CB LEU A 116 -1.646 -3.155 17.200 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.445 -3.087 16.248 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.858 -2.990 17.027 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.429 -4.293 15.314 1.00 0.00 C ATOM 0 H LEU A 116 -1.491 -0.783 16.596 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.358 -2.849 15.905 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.337 -2.791 18.180 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.936 -4.198 17.324 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.543 -2.187 15.641 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.695 -2.943 16.331 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.847 -2.091 17.643 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.966 -3.866 17.666 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.431 -4.225 14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.361 -5.208 15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.345 -4.309 14.724 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.530 -1.143 18.062 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.551 -1.004 19.098 1.00 0.00 C ATOM 1913 C HIS A 117 -6.905 -0.671 18.477 1.00 0.00 C ATOM 1914 O HIS A 117 -7.849 -1.456 18.555 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.153 0.086 20.097 1.00 0.00 C ATOM 1916 CG HIS A 117 -3.711 0.035 20.498 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.280 -0.489 21.698 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -2.596 0.446 19.847 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -1.964 -0.397 21.770 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -1.525 0.166 20.659 1.00 0.00 N ATOM 0 H HIS A 117 -4.352 -0.295 17.523 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.633 -1.954 19.626 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.366 1.062 19.661 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.773 -0.006 20.989 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.557 0.908 18.871 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.352 -0.726 22.597 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.548 0.361 20.440 1.00 0.00 H new ATOM 1929 N ARG A 118 -6.979 0.498 17.856 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.201 0.962 17.204 1.00 0.00 C ATOM 1931 C ARG A 118 -8.271 0.486 15.751 1.00 0.00 C ATOM 1932 O ARG A 118 -9.298 0.643 15.091 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.298 2.496 17.252 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.247 3.168 18.127 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.382 4.682 18.100 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.116 5.339 17.784 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.021 6.579 17.308 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.113 7.302 17.093 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -4.829 7.098 17.047 1.00 0.00 N ATOM 0 H ARG A 118 -6.198 1.151 17.789 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.043 0.535 17.750 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.211 2.885 16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.287 2.774 17.616 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.344 2.812 19.152 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.252 2.885 17.784 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.132 4.966 17.362 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.740 5.031 19.068 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.253 4.817 17.937 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.033 6.909 17.293 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.033 8.251 16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.986 6.547 17.211 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.755 8.048 16.682 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.175 -0.093 15.253 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.118 -0.589 13.877 1.00 0.00 C ATOM 1955 C LEU A 119 -7.170 0.556 12.873 1.00 0.00 C ATOM 1956 O LEU A 119 -7.709 0.424 11.771 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.260 -1.560 13.614 1.00 0.00 C ATOM 1958 CG LEU A 119 -7.888 -3.043 13.669 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -8.999 -3.893 13.070 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.571 -3.295 12.946 1.00 0.00 C ATOM 0 H LEU A 119 -6.315 -0.229 15.784 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.169 -1.110 13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.048 -1.373 14.344 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.678 -1.344 12.631 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.762 -3.327 14.714 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.718 -4.945 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.920 -3.738 13.633 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.157 -3.606 12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.325 -4.356 12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.665 -2.994 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.779 -2.716 13.420 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.598 1.673 13.270 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.549 2.865 12.432 1.00 0.00 C ATOM 1974 C ASP A 120 -5.160 3.492 12.485 1.00 0.00 C ATOM 1975 O ASP A 120 -4.391 3.226 13.405 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.600 3.880 12.885 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.997 3.516 12.421 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.250 2.317 12.183 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.838 4.431 12.295 1.00 0.00 O ATOM 0 H ASP A 120 -6.153 1.786 14.181 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.765 2.573 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.588 3.949 13.973 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.338 4.866 12.500 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.838 4.322 11.499 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.534 4.957 11.479 1.00 0.00 C ATOM 1986 C GLY A 121 -3.423 6.050 10.436 1.00 0.00 C ATOM 1987 O GLY A 121 -4.303 6.903 10.324 1.00 0.00 O ATOM 0 H GLY A 121 -5.450 4.565 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.326 5.379 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.771 4.202 11.288 1.00 0.00 H new ATOM 1991 N MET A 122 -2.332 6.028 9.676 1.00 0.00 N ATOM 1992 CA MET A 122 -2.106 7.030 8.641 1.00 0.00 C ATOM 1993 C MET A 122 -1.424 6.417 7.424 1.00 0.00 C ATOM 1994 O MET A 122 -0.595 5.515 7.550 1.00 0.00 O ATOM 1995 CB MET A 122 -1.250 8.175 9.185 1.00 0.00 C ATOM 1996 CG MET A 122 -1.752 8.738 10.503 1.00 0.00 C ATOM 1997 SD MET A 122 -0.911 10.263 10.970 1.00 0.00 S ATOM 1998 CE MET A 122 -2.284 11.411 10.981 1.00 0.00 C ATOM 0 H MET A 122 -1.593 5.329 9.757 1.00 0.00 H new ATOM 0 HA MET A 122 -3.078 7.419 8.337 1.00 0.00 H new ATOM 0 HB2 MET A 122 -0.227 7.822 9.317 1.00 0.00 H new ATOM 0 HB3 MET A 122 -1.218 8.976 8.446 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.823 8.926 10.429 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.612 7.995 11.288 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.057 12.244 11.647 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.451 11.788 9.972 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.182 10.901 11.331 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.776 6.918 6.245 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.188 6.415 5.021 1.00 0.00 C ATOM 2010 C GLY A 123 -0.655 7.527 4.141 1.00 0.00 C ATOM 2011 O GLY A 123 -0.682 8.697 4.521 1.00 0.00 O ATOM 0 H GLY A 123 -2.459 7.664 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.378 5.728 5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.935 5.844 4.469 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.169 7.159 2.963 1.00 0.00 N ATOM 2016 CA CYS A 124 0.375 8.131 2.024 1.00 0.00 C ATOM 2017 C CYS A 124 0.720 7.462 0.698 1.00 0.00 C ATOM 2018 O CYS A 124 1.049 6.277 0.661 1.00 0.00 O ATOM 2019 CB CYS A 124 1.618 8.804 2.612 1.00 0.00 C ATOM 2020 SG CYS A 124 3.032 7.696 2.825 1.00 0.00 S ATOM 0 H CYS A 124 -0.140 6.194 2.635 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.384 8.892 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.912 9.629 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.360 9.236 3.579 1.00 0.00 H new ATOM 0 HG CYS A 124 2.889 6.658 2.056 1.00 0.00 H new ATOM 2026 N LEU A 125 0.640 8.223 -0.389 1.00 0.00 N ATOM 2027 CA LEU A 125 0.945 7.678 -1.711 1.00 0.00 C ATOM 2028 C LEU A 125 2.260 8.230 -2.259 1.00 0.00 C ATOM 2029 O LEU A 125 2.528 9.426 -2.185 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.192 7.973 -2.691 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.328 6.950 -2.699 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.421 7.377 -3.667 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.801 5.571 -3.065 1.00 0.00 C ATOM 0 H LEU A 125 0.370 9.207 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 125 1.051 6.599 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.608 8.952 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.224 8.037 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.754 6.900 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.222 6.638 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.818 8.345 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.007 7.454 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.623 4.856 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.349 5.605 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.052 5.262 -2.336 1.00 0.00 H new ATOM 2045 N GLU A 126 3.065 7.341 -2.825 1.00 0.00 N ATOM 2046 CA GLU A 126 4.347 7.705 -3.413 1.00 0.00 C ATOM 2047 C GLU A 126 4.667 6.741 -4.546 1.00 0.00 C ATOM 2048 O GLU A 126 4.816 5.543 -4.320 1.00 0.00 O ATOM 2049 CB GLU A 126 5.453 7.673 -2.355 1.00 0.00 C ATOM 2050 CG GLU A 126 6.009 9.046 -2.016 1.00 0.00 C ATOM 2051 CD GLU A 126 6.138 9.272 -0.522 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.128 8.790 0.069 1.00 0.00 O ATOM 2053 OE2 GLU A 126 5.251 9.933 0.058 1.00 0.00 O ATOM 0 H GLU A 126 2.847 6.347 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 126 4.288 8.720 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.063 7.214 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.265 7.038 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.987 9.163 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.360 9.812 -2.441 1.00 0.00 H new ATOM 2060 N PHE A 127 4.748 7.259 -5.762 1.00 0.00 N ATOM 2061 CA PHE A 127 5.017 6.426 -6.926 1.00 0.00 C ATOM 2062 C PHE A 127 6.517 6.220 -7.137 1.00 0.00 C ATOM 2063 O PHE A 127 7.316 7.139 -6.962 1.00 0.00 O ATOM 2064 CB PHE A 127 4.333 7.033 -8.159 1.00 0.00 C ATOM 2065 CG PHE A 127 5.259 7.632 -9.174 1.00 0.00 C ATOM 2066 CD1 PHE A 127 5.923 6.828 -10.083 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.451 9.001 -9.229 1.00 0.00 C ATOM 2068 CE1 PHE A 127 6.760 7.379 -11.030 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.288 9.559 -10.171 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.943 8.747 -11.075 1.00 0.00 C ATOM 0 H PHE A 127 4.632 8.251 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 127 4.599 5.434 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.741 6.257 -8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.638 7.804 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.784 5.757 -10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.939 9.640 -8.525 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.272 6.742 -11.736 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.431 10.629 -10.202 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.598 9.181 -11.816 1.00 0.00 H new ATOM 2080 N ASP A 128 6.886 4.989 -7.489 1.00 0.00 N ATOM 2081 CA ASP A 128 8.284 4.629 -7.700 1.00 0.00 C ATOM 2082 C ASP A 128 8.691 4.730 -9.171 1.00 0.00 C ATOM 2083 O ASP A 128 8.394 3.843 -9.971 1.00 0.00 O ATOM 2084 CB ASP A 128 8.538 3.209 -7.191 1.00 0.00 C ATOM 2085 CG ASP A 128 9.181 3.192 -5.818 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.887 4.167 -5.480 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.980 2.206 -5.080 1.00 0.00 O ATOM 0 H ASP A 128 6.230 4.221 -7.634 1.00 0.00 H new ATOM 0 HA ASP A 128 8.892 5.340 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.594 2.665 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 128 9.181 2.683 -7.897 1.00 0.00 H new ATOM 2092 N GLU A 129 9.387 5.811 -9.510 1.00 0.00 N ATOM 2093 CA GLU A 129 9.858 6.033 -10.872 1.00 0.00 C ATOM 2094 C GLU A 129 10.778 4.901 -11.332 1.00 0.00 C ATOM 2095 O GLU A 129 10.953 4.681 -12.530 1.00 0.00 O ATOM 2096 CB GLU A 129 10.604 7.368 -10.952 1.00 0.00 C ATOM 2097 CG GLU A 129 9.860 8.440 -11.729 1.00 0.00 C ATOM 2098 CD GLU A 129 10.767 9.223 -12.658 1.00 0.00 C ATOM 2099 OE1 GLU A 129 11.954 9.408 -12.311 1.00 0.00 O ATOM 2100 OE2 GLU A 129 10.294 9.648 -13.732 1.00 0.00 O ATOM 0 H GLU A 129 9.638 6.551 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 129 8.990 6.056 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.792 7.730 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.576 7.203 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.064 7.975 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.384 9.126 -11.029 1.00 0.00 H new