USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=23 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 K(o=0,f=-0.98) USER MOD Single : A 10 SER OG : rot -170:sc= -1.29 USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -1.29! (180deg=-2.23!) USER MOD Single : A 14 ASN : amide:sc=-0.00301 X(o=-0.003,f=-0.46) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.261) USER MOD Single : A 22 SER OG : rot -36:sc= -0.687 USER MOD Single : A 25 CYS SG : rot 74:sc= -4.4! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -111:sc= 0.656 USER MOD Single : A 30 THR OG1 : rot 61:sc= -3.8! USER MOD Single : A 37 HIS : no HE2:sc= -9.4! C(o=-9.4!,f=-10!) USER MOD Single : A 41 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.15) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 48 CYS SG : rot 120:sc= -0.533 USER MOD Single : A 53 SER OG : rot 110:sc= -0.255 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=-0.00247 K(o=-0.0025,f=-1.1) USER MOD Single : A 65 SER OG : rot -114:sc= 0.72 USER MOD Single : A 67 GLN : amide:sc=-0.00431 X(o=-0.0043,f=0) USER MOD Single : A 72 SER OG : rot -59:sc= 0.249 USER MOD Single : A 82 SER OG : rot 180:sc= -1.06 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0505) 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 167:sc= 0 (180deg=-0.141) USER MOD Single : A 104 ASN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.1 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.011) USER MOD Single : A 122 MET CE :methyl 164:sc= -1.73 (180deg=-2.68!) USER MOD Single : A 124 CYS SG : rot -19:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.149 2.713 -18.902 1.00 0.00 N ATOM 59 CA VAL A 4 1.963 3.872 -18.556 1.00 0.00 C ATOM 60 C VAL A 4 1.653 5.053 -19.472 1.00 0.00 C ATOM 61 O VAL A 4 1.598 4.911 -20.693 1.00 0.00 O ATOM 62 CB VAL A 4 3.474 3.559 -18.633 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.056 3.397 -17.237 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.737 2.316 -19.475 1.00 0.00 C ATOM 0 HA VAL A 4 1.712 4.131 -17.528 1.00 0.00 H new ATOM 0 HB VAL A 4 3.968 4.400 -19.119 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.121 3.177 -17.310 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.914 4.320 -16.674 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.551 2.578 -16.725 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.809 2.121 -19.511 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.227 1.461 -19.031 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.363 2.476 -20.486 1.00 0.00 H new ATOM 74 N VAL A 5 1.451 6.219 -18.867 1.00 0.00 N ATOM 75 CA VAL A 5 1.146 7.432 -19.615 1.00 0.00 C ATOM 76 C VAL A 5 2.422 8.173 -20.007 1.00 0.00 C ATOM 77 O VAL A 5 3.431 8.094 -19.305 1.00 0.00 O ATOM 78 CB VAL A 5 0.246 8.381 -18.800 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.114 7.746 -18.555 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.916 8.757 -17.484 1.00 0.00 C ATOM 0 H VAL A 5 1.493 6.349 -17.856 1.00 0.00 H new ATOM 0 HA VAL A 5 0.617 7.123 -20.517 1.00 0.00 H new ATOM 0 HB VAL A 5 0.096 9.294 -19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.736 8.430 -17.978 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.595 7.536 -19.510 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.987 6.816 -18.001 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.265 9.427 -16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.100 7.856 -16.899 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.863 9.257 -17.688 1.00 0.00 H new ATOM 90 N PRO A 6 2.396 8.906 -21.138 1.00 0.00 N ATOM 91 CA PRO A 6 3.551 9.665 -21.624 1.00 0.00 C ATOM 92 C PRO A 6 4.338 10.320 -20.493 1.00 0.00 C ATOM 93 O PRO A 6 5.564 10.415 -20.549 1.00 0.00 O ATOM 94 CB PRO A 6 2.903 10.720 -22.515 1.00 0.00 C ATOM 95 CG PRO A 6 1.697 10.044 -23.076 1.00 0.00 C ATOM 96 CD PRO A 6 1.230 9.057 -22.032 1.00 0.00 C ATOM 0 HA PRO A 6 4.279 9.035 -22.135 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.631 11.608 -21.945 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.581 11.043 -23.305 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.915 10.770 -23.300 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.937 9.536 -24.010 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.359 9.428 -21.493 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.945 8.106 -22.481 1.00 0.00 H new ATOM 104 N ASP A 7 3.624 10.752 -19.458 1.00 0.00 N ATOM 105 CA ASP A 7 4.243 11.376 -18.306 1.00 0.00 C ATOM 106 C ASP A 7 3.582 10.862 -17.035 1.00 0.00 C ATOM 107 O ASP A 7 2.572 11.394 -16.579 1.00 0.00 O ATOM 108 CB ASP A 7 4.134 12.898 -18.395 1.00 0.00 C ATOM 109 CG ASP A 7 5.068 13.483 -19.438 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.039 13.009 -20.593 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.827 14.416 -19.099 1.00 0.00 O ATOM 0 H ASP A 7 2.608 10.678 -19.399 1.00 0.00 H new ATOM 0 HA ASP A 7 5.302 11.118 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.107 13.173 -18.635 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.361 13.334 -17.422 1.00 0.00 H new ATOM 116 N GLN A 8 4.158 9.812 -16.476 1.00 0.00 N ATOM 117 CA GLN A 8 3.633 9.207 -15.262 1.00 0.00 C ATOM 118 C GLN A 8 3.685 10.213 -14.128 1.00 0.00 C ATOM 119 O GLN A 8 2.728 10.369 -13.367 1.00 0.00 O ATOM 120 CB GLN A 8 4.431 7.954 -14.900 1.00 0.00 C ATOM 121 CG GLN A 8 4.454 6.909 -16.004 1.00 0.00 C ATOM 122 CD GLN A 8 5.858 6.603 -16.491 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.470 7.402 -17.199 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.374 5.439 -16.111 1.00 0.00 N ATOM 0 H GLN A 8 4.994 9.358 -16.845 1.00 0.00 H new ATOM 0 HA GLN A 8 2.597 8.914 -15.431 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.455 8.241 -14.661 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.007 7.510 -13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.992 5.991 -15.640 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.851 7.258 -16.842 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.830 4.807 -15.523 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.314 5.177 -16.407 1.00 0.00 H new ATOM 133 N ARG A 9 4.802 10.919 -14.047 1.00 0.00 N ATOM 134 CA ARG A 9 4.978 11.944 -13.037 1.00 0.00 C ATOM 135 C ARG A 9 4.008 13.080 -13.294 1.00 0.00 C ATOM 136 O ARG A 9 3.649 13.814 -12.378 1.00 0.00 O ATOM 137 CB ARG A 9 6.419 12.462 -13.036 1.00 0.00 C ATOM 138 CG ARG A 9 7.301 11.803 -11.988 1.00 0.00 C ATOM 139 CD ARG A 9 8.742 11.696 -12.461 1.00 0.00 C ATOM 140 NE ARG A 9 9.460 12.961 -12.318 1.00 0.00 N ATOM 141 CZ ARG A 9 10.578 13.258 -12.977 1.00 0.00 C ATOM 142 NH1 ARG A 9 11.111 12.385 -13.823 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.165 14.433 -12.790 1.00 0.00 N ATOM 0 H ARG A 9 5.600 10.799 -14.671 1.00 0.00 H new ATOM 0 HA ARG A 9 4.775 11.513 -12.057 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.856 12.299 -14.021 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.409 13.539 -12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.262 12.379 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.917 10.809 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.254 10.922 -11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.759 11.386 -13.506 1.00 0.00 H new ATOM 0 HE ARG A 9 9.082 13.657 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.664 11.480 -13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.968 12.619 -14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.760 15.108 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.022 14.661 -13.295 1.00 0.00 H new ATOM 157 N SER A 10 3.570 13.221 -14.545 1.00 0.00 N ATOM 158 CA SER A 10 2.625 14.277 -14.883 1.00 0.00 C ATOM 159 C SER A 10 1.337 14.089 -14.098 1.00 0.00 C ATOM 160 O SER A 10 0.697 15.060 -13.697 1.00 0.00 O ATOM 161 CB SER A 10 2.334 14.308 -16.388 1.00 0.00 C ATOM 162 OG SER A 10 3.217 15.188 -17.062 1.00 0.00 O ATOM 0 H SER A 10 3.850 12.628 -15.326 1.00 0.00 H new ATOM 0 HA SER A 10 3.074 15.233 -14.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.432 13.304 -16.801 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.304 14.623 -16.556 1.00 0.00 H new ATOM 0 HG SER A 10 2.914 15.311 -17.986 1.00 0.00 H new ATOM 168 N LYS A 11 0.976 12.835 -13.858 1.00 0.00 N ATOM 169 CA LYS A 11 -0.219 12.534 -13.091 1.00 0.00 C ATOM 170 C LYS A 11 0.086 12.660 -11.612 1.00 0.00 C ATOM 171 O LYS A 11 -0.510 13.468 -10.910 1.00 0.00 O ATOM 172 CB LYS A 11 -0.740 11.132 -13.416 1.00 0.00 C ATOM 173 CG LYS A 11 -1.909 11.129 -14.389 1.00 0.00 C ATOM 174 CD LYS A 11 -1.633 10.244 -15.594 1.00 0.00 C ATOM 175 CE LYS A 11 -2.904 9.584 -16.106 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.272 10.068 -17.465 1.00 0.00 N ATOM 0 H LYS A 11 1.492 12.017 -14.182 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.999 13.247 -13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.073 10.539 -13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.046 10.643 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.807 10.780 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.108 12.147 -14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.186 10.840 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.907 9.477 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.767 8.503 -16.130 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.722 9.786 -15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.710 9.293 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.945 10.856 -17.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.418 10.393 -17.961 1.00 0.00 H new ATOM 190 N PHE A 12 1.043 11.879 -11.143 1.00 0.00 N ATOM 191 CA PHE A 12 1.446 11.937 -9.751 1.00 0.00 C ATOM 192 C PHE A 12 1.731 13.380 -9.335 1.00 0.00 C ATOM 193 O PHE A 12 1.705 13.705 -8.148 1.00 0.00 O ATOM 194 CB PHE A 12 2.701 11.084 -9.545 1.00 0.00 C ATOM 195 CG PHE A 12 2.756 10.391 -8.215 1.00 0.00 C ATOM 196 CD1 PHE A 12 1.874 9.368 -7.920 1.00 0.00 C ATOM 197 CD2 PHE A 12 3.693 10.761 -7.265 1.00 0.00 C ATOM 198 CE1 PHE A 12 1.923 8.723 -6.694 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.747 10.123 -6.041 1.00 0.00 C ATOM 200 CZ PHE A 12 2.861 9.104 -5.756 1.00 0.00 C ATOM 0 H PHE A 12 1.554 11.199 -11.705 1.00 0.00 H new ATOM 0 HA PHE A 12 0.635 11.550 -9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.753 10.335 -10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.581 11.719 -9.649 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.139 9.068 -8.652 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.389 11.557 -7.483 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.229 7.925 -6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.482 10.421 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.902 8.605 -4.799 1.00 0.00 H new ATOM 210 N GLU A 13 2.030 14.242 -10.315 1.00 0.00 N ATOM 211 CA GLU A 13 2.342 15.640 -10.018 1.00 0.00 C ATOM 212 C GLU A 13 1.162 16.590 -10.248 1.00 0.00 C ATOM 213 O GLU A 13 1.008 17.576 -9.531 1.00 0.00 O ATOM 214 CB GLU A 13 3.550 16.100 -10.844 1.00 0.00 C ATOM 215 CG GLU A 13 3.211 16.502 -12.272 1.00 0.00 C ATOM 216 CD GLU A 13 4.444 16.689 -13.133 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.343 15.824 -13.079 1.00 0.00 O ATOM 218 OE2 GLU A 13 4.512 17.702 -13.861 1.00 0.00 O ATOM 0 H GLU A 13 2.062 13.999 -11.305 1.00 0.00 H new ATOM 0 HA GLU A 13 2.576 15.683 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.019 16.946 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.286 15.297 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.573 15.739 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.638 17.429 -12.258 1.00 0.00 H new ATOM 225 N ASN A 14 0.365 16.325 -11.280 1.00 0.00 N ATOM 226 CA ASN A 14 -0.754 17.208 -11.618 1.00 0.00 C ATOM 227 C ASN A 14 -2.106 16.697 -11.120 1.00 0.00 C ATOM 228 O ASN A 14 -3.001 17.491 -10.834 1.00 0.00 O ATOM 229 CB ASN A 14 -0.808 17.402 -13.134 1.00 0.00 C ATOM 230 CG ASN A 14 -1.899 18.364 -13.561 1.00 0.00 C ATOM 231 OD1 ASN A 14 -2.198 19.334 -12.862 1.00 0.00 O ATOM 232 ND2 ASN A 14 -2.503 18.100 -14.713 1.00 0.00 N ATOM 0 H ASN A 14 0.469 15.516 -11.892 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.572 18.155 -11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.155 17.773 -13.483 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.971 16.437 -13.614 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.246 18.711 -15.051 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.224 17.286 -15.260 1.00 0.00 H new ATOM 239 N GLU A 15 -2.263 15.385 -11.033 1.00 0.00 N ATOM 240 CA GLU A 15 -3.531 14.808 -10.586 1.00 0.00 C ATOM 241 C GLU A 15 -3.834 15.205 -9.143 1.00 0.00 C ATOM 242 O GLU A 15 -2.955 15.193 -8.286 1.00 0.00 O ATOM 243 CB GLU A 15 -3.509 13.288 -10.731 1.00 0.00 C ATOM 244 CG GLU A 15 -3.741 12.810 -12.154 1.00 0.00 C ATOM 245 CD GLU A 15 -5.169 12.359 -12.392 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.789 11.829 -11.447 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.667 12.537 -13.524 1.00 0.00 O ATOM 0 H GLU A 15 -1.540 14.703 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.325 15.205 -11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.547 12.912 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.273 12.858 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.498 13.615 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.062 11.985 -12.372 1.00 0.00 H new ATOM 254 N GLU A 16 -5.088 15.576 -8.893 1.00 0.00 N ATOM 255 CA GLU A 16 -5.518 16.008 -7.559 1.00 0.00 C ATOM 256 C GLU A 16 -5.478 14.869 -6.542 1.00 0.00 C ATOM 257 O GLU A 16 -4.530 14.767 -5.764 1.00 0.00 O ATOM 258 CB GLU A 16 -6.921 16.626 -7.607 1.00 0.00 C ATOM 259 CG GLU A 16 -7.882 15.926 -8.557 1.00 0.00 C ATOM 260 CD GLU A 16 -8.222 16.770 -9.770 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.453 17.986 -9.603 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.257 16.214 -10.888 1.00 0.00 O ATOM 0 H GLU A 16 -5.827 15.587 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.808 16.768 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.346 16.612 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.835 17.672 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.441 14.985 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.799 15.678 -8.023 1.00 0.00 H new ATOM 269 N PHE A 17 -6.504 14.017 -6.539 1.00 0.00 N ATOM 270 CA PHE A 17 -6.559 12.901 -5.600 1.00 0.00 C ATOM 271 C PHE A 17 -5.245 12.135 -5.633 1.00 0.00 C ATOM 272 O PHE A 17 -4.755 11.661 -4.611 1.00 0.00 O ATOM 273 CB PHE A 17 -7.743 11.976 -5.936 1.00 0.00 C ATOM 274 CG PHE A 17 -7.365 10.541 -6.194 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.768 10.171 -7.389 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.604 9.563 -5.240 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.417 8.855 -7.628 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.255 8.245 -5.473 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.660 7.892 -6.669 1.00 0.00 C ATOM 0 H PHE A 17 -7.301 14.079 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.710 13.288 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.456 12.007 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.254 12.367 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.575 10.920 -8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.068 9.834 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.953 8.581 -8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.447 7.493 -4.722 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.385 6.864 -6.853 1.00 0.00 H new ATOM 289 N PHE A 18 -4.689 12.023 -6.826 1.00 0.00 N ATOM 290 CA PHE A 18 -3.444 11.325 -7.032 1.00 0.00 C ATOM 291 C PHE A 18 -2.341 12.020 -6.256 1.00 0.00 C ATOM 292 O PHE A 18 -1.449 11.372 -5.722 1.00 0.00 O ATOM 293 CB PHE A 18 -3.142 11.317 -8.523 1.00 0.00 C ATOM 294 CG PHE A 18 -2.453 10.086 -8.989 1.00 0.00 C ATOM 295 CD1 PHE A 18 -2.936 8.860 -8.600 1.00 0.00 C ATOM 296 CD2 PHE A 18 -1.361 10.150 -9.826 1.00 0.00 C ATOM 297 CE1 PHE A 18 -2.339 7.695 -9.037 1.00 0.00 C ATOM 298 CE2 PHE A 18 -0.749 8.993 -10.269 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.241 7.761 -9.874 1.00 0.00 C ATOM 0 H PHE A 18 -5.093 12.416 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.512 10.297 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.076 11.430 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.523 12.182 -8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.793 8.807 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.980 11.111 -10.138 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.728 6.736 -8.727 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.110 9.050 -10.921 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.768 6.853 -10.219 1.00 0.00 H new ATOM 309 N ARG A 19 -2.437 13.344 -6.167 1.00 0.00 N ATOM 310 CA ARG A 19 -1.473 14.131 -5.416 1.00 0.00 C ATOM 311 C ARG A 19 -1.853 14.097 -3.942 1.00 0.00 C ATOM 312 O ARG A 19 -1.080 13.638 -3.095 1.00 0.00 O ATOM 313 CB ARG A 19 -1.438 15.575 -5.922 1.00 0.00 C ATOM 314 CG ARG A 19 -0.442 15.795 -7.051 1.00 0.00 C ATOM 315 CD ARG A 19 0.387 17.050 -6.834 1.00 0.00 C ATOM 316 NE ARG A 19 1.816 16.798 -7.010 1.00 0.00 N ATOM 317 CZ ARG A 19 2.725 17.758 -7.165 1.00 0.00 C ATOM 318 NH1 ARG A 19 2.359 19.034 -7.171 1.00 0.00 N ATOM 319 NH2 ARG A 19 4.004 17.442 -7.315 1.00 0.00 N ATOM 0 H ARG A 19 -3.176 13.892 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.478 13.707 -5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.433 15.856 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.188 16.237 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.219 14.931 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.977 15.871 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.066 17.822 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.207 17.434 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 19 2.136 15.829 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.377 19.283 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.060 19.765 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.291 16.463 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.701 18.178 -7.434 1.00 0.00 H new ATOM 333 N LYS A 20 -3.072 14.555 -3.647 1.00 0.00 N ATOM 334 CA LYS A 20 -3.586 14.551 -2.280 1.00 0.00 C ATOM 335 C LYS A 20 -3.281 13.213 -1.617 1.00 0.00 C ATOM 336 O LYS A 20 -3.030 13.139 -0.415 1.00 0.00 O ATOM 337 CB LYS A 20 -5.097 14.804 -2.272 1.00 0.00 C ATOM 338 CG LYS A 20 -5.509 16.091 -2.970 1.00 0.00 C ATOM 339 CD LYS A 20 -6.887 15.965 -3.604 1.00 0.00 C ATOM 340 CE LYS A 20 -7.511 17.327 -3.863 1.00 0.00 C ATOM 341 NZ LYS A 20 -6.522 18.302 -4.400 1.00 0.00 N ATOM 0 H LYS A 20 -3.720 14.933 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.097 15.350 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.599 13.964 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.445 14.834 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.511 16.911 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.776 16.341 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.807 15.416 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.537 15.385 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.334 17.220 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.934 17.714 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.023 19.130 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.884 18.605 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.968 17.853 -5.157 1.00 0.00 H new ATOM 355 N LEU A 21 -3.280 12.160 -2.430 1.00 0.00 N ATOM 356 CA LEU A 21 -2.979 10.822 -1.951 1.00 0.00 C ATOM 357 C LEU A 21 -1.482 10.566 -2.057 1.00 0.00 C ATOM 358 O LEU A 21 -0.883 9.967 -1.163 1.00 0.00 O ATOM 359 CB LEU A 21 -3.752 9.764 -2.746 1.00 0.00 C ATOM 360 CG LEU A 21 -5.269 9.722 -2.515 1.00 0.00 C ATOM 361 CD1 LEU A 21 -5.820 8.350 -2.874 1.00 0.00 C ATOM 362 CD2 LEU A 21 -5.618 10.069 -1.075 1.00 0.00 C ATOM 0 H LEU A 21 -3.486 12.212 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.288 10.751 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.571 9.932 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.341 8.784 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.728 10.469 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.897 8.335 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.614 8.138 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.344 7.593 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.699 10.031 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.145 9.353 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.260 11.073 -0.846 1.00 0.00 H new ATOM 374 N SER A 22 -0.870 11.050 -3.148 1.00 0.00 N ATOM 375 CA SER A 22 0.575 10.890 -3.357 1.00 0.00 C ATOM 376 C SER A 22 1.351 11.255 -2.099 1.00 0.00 C ATOM 377 O SER A 22 2.501 10.854 -1.925 1.00 0.00 O ATOM 378 CB SER A 22 1.063 11.766 -4.513 1.00 0.00 C ATOM 379 OG SER A 22 1.093 13.133 -4.141 1.00 0.00 O ATOM 0 H SER A 22 -1.350 11.552 -3.894 1.00 0.00 H new ATOM 0 HA SER A 22 0.752 9.842 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.059 11.447 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.408 11.635 -5.374 1.00 0.00 H new ATOM 0 HG SER A 22 0.341 13.326 -3.543 1.00 0.00 H new ATOM 385 N ARG A 23 0.717 12.030 -1.231 1.00 0.00 N ATOM 386 CA ARG A 23 1.338 12.465 0.005 1.00 0.00 C ATOM 387 C ARG A 23 0.890 11.581 1.164 1.00 0.00 C ATOM 388 O ARG A 23 0.309 10.516 0.951 1.00 0.00 O ATOM 389 CB ARG A 23 0.964 13.922 0.276 1.00 0.00 C ATOM 390 CG ARG A 23 0.855 14.767 -0.987 1.00 0.00 C ATOM 391 CD ARG A 23 2.207 15.321 -1.405 1.00 0.00 C ATOM 392 NE ARG A 23 2.405 16.692 -0.940 1.00 0.00 N ATOM 393 CZ ARG A 23 3.596 17.282 -0.853 1.00 0.00 C ATOM 394 NH1 ARG A 23 4.696 16.624 -1.198 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.686 18.533 -0.421 1.00 0.00 N ATOM 0 H ARG A 23 -0.235 12.371 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 23 2.421 12.383 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.012 13.952 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.711 14.364 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.442 14.163 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.160 15.590 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.998 14.685 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.291 15.291 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 23 1.582 17.229 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.632 15.662 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.606 17.080 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.843 19.043 -0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.598 18.985 -0.354 1.00 0.00 H new ATOM 409 N GLU A 24 1.182 12.018 2.384 1.00 0.00 N ATOM 410 CA GLU A 24 0.823 11.254 3.577 1.00 0.00 C ATOM 411 C GLU A 24 -0.421 11.822 4.255 1.00 0.00 C ATOM 412 O GLU A 24 -0.477 13.008 4.579 1.00 0.00 O ATOM 413 CB GLU A 24 1.991 11.240 4.568 1.00 0.00 C ATOM 414 CG GLU A 24 3.355 11.121 3.908 1.00 0.00 C ATOM 415 CD GLU A 24 4.044 12.462 3.749 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.337 13.476 3.572 1.00 0.00 O ATOM 417 OE2 GLU A 24 5.292 12.498 3.802 1.00 0.00 O ATOM 0 H GLU A 24 1.666 12.896 2.575 1.00 0.00 H new ATOM 0 HA GLU A 24 0.601 10.235 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.963 12.154 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.859 10.408 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.986 10.461 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.241 10.656 2.928 1.00 0.00 H new ATOM 424 N CYS A 25 -1.413 10.962 4.474 1.00 0.00 N ATOM 425 CA CYS A 25 -2.655 11.373 5.122 1.00 0.00 C ATOM 426 C CYS A 25 -3.291 10.226 5.897 1.00 0.00 C ATOM 427 O CYS A 25 -3.144 9.055 5.547 1.00 0.00 O ATOM 428 CB CYS A 25 -3.640 11.964 4.106 1.00 0.00 C ATOM 429 SG CYS A 25 -3.480 11.306 2.428 1.00 0.00 S ATOM 0 H CYS A 25 -1.381 9.977 4.212 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.404 12.153 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.656 11.783 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.502 13.045 4.073 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.955 10.096 2.389 1.00 0.00 H new ATOM 435 N GLU A 26 -3.976 10.590 6.976 1.00 0.00 N ATOM 436 CA GLU A 26 -4.628 9.631 7.862 1.00 0.00 C ATOM 437 C GLU A 26 -5.389 8.541 7.110 1.00 0.00 C ATOM 438 O GLU A 26 -5.983 8.778 6.057 1.00 0.00 O ATOM 439 CB GLU A 26 -5.585 10.363 8.805 1.00 0.00 C ATOM 440 CG GLU A 26 -4.956 11.553 9.508 1.00 0.00 C ATOM 441 CD GLU A 26 -5.726 11.977 10.743 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.766 12.651 10.592 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.290 11.634 11.862 1.00 0.00 O ATOM 0 H GLU A 26 -4.095 11.562 7.262 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.837 9.138 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.451 10.703 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.951 9.661 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.933 11.304 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.900 12.392 8.814 1.00 0.00 H new ATOM 450 N ILE A 27 -5.372 7.348 7.692 1.00 0.00 N ATOM 451 CA ILE A 27 -6.065 6.186 7.136 1.00 0.00 C ATOM 452 C ILE A 27 -6.820 5.442 8.238 1.00 0.00 C ATOM 453 O ILE A 27 -6.587 5.680 9.422 1.00 0.00 O ATOM 454 CB ILE A 27 -5.089 5.210 6.450 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.038 4.715 7.446 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.425 5.876 5.256 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.153 3.618 6.893 1.00 0.00 C ATOM 0 H ILE A 27 -4.878 7.156 8.563 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.765 6.557 6.388 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.654 4.349 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.414 5.555 7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.541 4.349 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.739 5.174 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.187 6.179 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.872 6.754 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.432 3.315 7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.767 2.762 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.623 3.986 6.015 1.00 0.00 H new ATOM 469 N LYS A 28 -7.725 4.543 7.851 1.00 0.00 N ATOM 470 CA LYS A 28 -8.500 3.783 8.832 1.00 0.00 C ATOM 471 C LYS A 28 -9.036 2.477 8.244 1.00 0.00 C ATOM 472 O LYS A 28 -9.051 2.291 7.027 1.00 0.00 O ATOM 473 CB LYS A 28 -9.662 4.630 9.354 1.00 0.00 C ATOM 474 CG LYS A 28 -10.622 5.085 8.267 1.00 0.00 C ATOM 475 CD LYS A 28 -11.858 5.744 8.855 1.00 0.00 C ATOM 476 CE LYS A 28 -12.555 6.635 7.839 1.00 0.00 C ATOM 477 NZ LYS A 28 -14.007 6.323 7.729 1.00 0.00 N ATOM 0 H LYS A 28 -7.938 4.325 6.878 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.831 3.530 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.214 4.055 10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.261 5.507 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.116 5.786 7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.918 4.229 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.550 4.977 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.576 6.336 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.429 7.679 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.083 6.512 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.445 6.952 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.128 5.334 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.463 6.465 8.653 1.00 0.00 H new ATOM 491 N TYR A 29 -9.474 1.576 9.124 1.00 0.00 N ATOM 492 CA TYR A 29 -10.014 0.282 8.704 1.00 0.00 C ATOM 493 C TYR A 29 -11.477 0.397 8.280 1.00 0.00 C ATOM 494 O TYR A 29 -12.329 0.822 9.061 1.00 0.00 O ATOM 495 CB TYR A 29 -9.882 -0.735 9.839 1.00 0.00 C ATOM 496 CG TYR A 29 -9.449 -2.108 9.374 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.263 -2.282 8.671 1.00 0.00 C ATOM 498 CD2 TYR A 29 -10.226 -3.228 9.637 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.864 -3.534 8.245 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.834 -4.483 9.215 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.653 -4.631 8.519 1.00 0.00 C ATOM 502 OH TYR A 29 -8.258 -5.880 8.097 1.00 0.00 O ATOM 0 H TYR A 29 -9.465 1.719 10.134 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.438 -0.056 7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.161 -0.363 10.567 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.839 -0.820 10.353 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.643 -1.425 8.454 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.152 -3.116 10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.939 -3.653 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.449 -5.344 9.429 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.861 -6.193 7.391 1.00 0.00 H new ATOM 512 N THR A 30 -11.762 0.004 7.040 1.00 0.00 N ATOM 513 CA THR A 30 -13.124 0.049 6.511 1.00 0.00 C ATOM 514 C THR A 30 -13.323 -1.015 5.434 1.00 0.00 C ATOM 515 O THR A 30 -14.079 -0.815 4.483 1.00 0.00 O ATOM 516 CB THR A 30 -13.448 1.435 5.941 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.001 1.554 4.600 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.841 2.574 6.735 1.00 0.00 C ATOM 0 H THR A 30 -11.067 -0.350 6.382 1.00 0.00 H new ATOM 0 HA THR A 30 -13.805 -0.155 7.337 1.00 0.00 H new ATOM 0 HB THR A 30 -14.533 1.515 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.457 0.889 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.112 3.524 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.218 2.546 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.756 2.472 6.746 1.00 0.00 H new ATOM 526 N GLY A 31 -12.638 -2.143 5.588 1.00 0.00 N ATOM 527 CA GLY A 31 -12.752 -3.219 4.620 1.00 0.00 C ATOM 528 C GLY A 31 -13.715 -4.305 5.061 1.00 0.00 C ATOM 529 O GLY A 31 -14.796 -4.452 4.495 1.00 0.00 O ATOM 0 H GLY A 31 -12.006 -2.332 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.085 -2.810 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.768 -3.658 4.453 1.00 0.00 H new ATOM 533 N PHE A 32 -13.320 -5.066 6.077 1.00 0.00 N ATOM 534 CA PHE A 32 -14.157 -6.144 6.596 1.00 0.00 C ATOM 535 C PHE A 32 -14.363 -5.991 8.098 1.00 0.00 C ATOM 536 O PHE A 32 -14.480 -6.976 8.823 1.00 0.00 O ATOM 537 CB PHE A 32 -13.533 -7.515 6.291 1.00 0.00 C ATOM 538 CG PHE A 32 -12.040 -7.488 6.099 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.497 -7.124 4.878 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.181 -7.830 7.136 1.00 0.00 C ATOM 541 CE1 PHE A 32 -10.129 -7.100 4.691 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.810 -7.807 6.953 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.285 -7.440 5.729 1.00 0.00 C ATOM 0 H PHE A 32 -12.427 -4.957 6.557 1.00 0.00 H new ATOM 0 HA PHE A 32 -15.126 -6.083 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.770 -8.198 7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.996 -7.920 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -12.152 -6.856 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.588 -8.117 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.720 -6.815 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.151 -8.075 7.766 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.215 -7.419 5.584 1.00 0.00 H new ATOM 553 N ARG A 33 -14.392 -4.749 8.563 1.00 0.00 N ATOM 554 CA ARG A 33 -14.576 -4.473 9.983 1.00 0.00 C ATOM 555 C ARG A 33 -16.048 -4.353 10.354 1.00 0.00 C ATOM 556 O ARG A 33 -16.399 -4.367 11.534 1.00 0.00 O ATOM 557 CB ARG A 33 -13.810 -3.200 10.372 1.00 0.00 C ATOM 558 CG ARG A 33 -14.683 -1.959 10.592 1.00 0.00 C ATOM 559 CD ARG A 33 -14.417 -0.887 9.551 1.00 0.00 C ATOM 560 NE ARG A 33 -15.575 -0.668 8.687 1.00 0.00 N ATOM 561 CZ ARG A 33 -16.681 -0.036 9.075 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.783 0.443 10.308 1.00 0.00 N ATOM 563 NH2 ARG A 33 -17.689 0.117 8.226 1.00 0.00 N ATOM 0 H ARG A 33 -14.291 -3.918 7.980 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.174 -5.317 10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.248 -3.397 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.082 -2.980 9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.734 -2.244 10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.494 -1.554 11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.154 0.046 10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.560 -1.176 8.943 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.534 -1.020 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.011 0.328 10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.633 0.926 10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.616 -0.249 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.537 0.601 8.522 1.00 0.00 H new ATOM 577 N ASP A 34 -16.906 -4.220 9.353 1.00 0.00 N ATOM 578 CA ASP A 34 -18.335 -4.079 9.596 1.00 0.00 C ATOM 579 C ASP A 34 -18.860 -5.184 10.514 1.00 0.00 C ATOM 580 O ASP A 34 -19.938 -5.056 11.094 1.00 0.00 O ATOM 581 CB ASP A 34 -19.104 -4.089 8.274 1.00 0.00 C ATOM 582 CG ASP A 34 -20.347 -3.223 8.323 1.00 0.00 C ATOM 583 OD1 ASP A 34 -21.412 -3.736 8.729 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.257 -2.033 7.955 1.00 0.00 O ATOM 0 H ASP A 34 -16.640 -4.207 8.369 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.492 -3.123 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.451 -3.739 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.387 -5.113 8.029 1.00 0.00 H new ATOM 589 N ARG A 35 -18.092 -6.262 10.652 1.00 0.00 N ATOM 590 CA ARG A 35 -18.480 -7.370 11.506 1.00 0.00 C ATOM 591 C ARG A 35 -17.687 -7.282 12.835 1.00 0.00 C ATOM 592 O ARG A 35 -17.706 -6.214 13.450 1.00 0.00 O ATOM 593 CB ARG A 35 -18.303 -8.683 10.728 1.00 0.00 C ATOM 594 CG ARG A 35 -17.032 -8.741 9.891 1.00 0.00 C ATOM 595 CD ARG A 35 -17.220 -8.064 8.540 1.00 0.00 C ATOM 596 NE ARG A 35 -17.702 -8.992 7.521 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.007 -10.036 7.076 1.00 0.00 C ATOM 598 NH1 ARG A 35 -15.798 -10.291 7.557 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.524 -10.828 6.148 1.00 0.00 N ATOM 0 H ARG A 35 -17.196 -6.387 10.180 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.533 -7.329 11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.299 -9.514 11.434 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.163 -8.824 10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.218 -8.258 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.742 -9.781 9.740 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.927 -7.241 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.273 -7.632 8.217 1.00 0.00 H new ATOM 0 HE ARG A 35 -18.628 -8.830 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.396 -9.685 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.270 -11.093 7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.454 -10.637 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.992 -11.628 5.806 1.00 0.00 H new ATOM 613 N PRO A 36 -16.977 -8.328 13.338 1.00 0.00 N ATOM 614 CA PRO A 36 -16.238 -8.190 14.597 1.00 0.00 C ATOM 615 C PRO A 36 -14.929 -7.427 14.410 1.00 0.00 C ATOM 616 O PRO A 36 -13.857 -8.023 14.317 1.00 0.00 O ATOM 617 CB PRO A 36 -15.971 -9.632 15.013 1.00 0.00 C ATOM 618 CG PRO A 36 -15.888 -10.380 13.733 1.00 0.00 C ATOM 619 CD PRO A 36 -16.814 -9.684 12.768 1.00 0.00 C ATOM 0 HA PRO A 36 -16.794 -7.621 15.342 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.045 -9.716 15.582 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.770 -10.017 15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.866 -10.387 13.353 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.183 -11.420 13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.389 -9.646 11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.770 -10.201 12.690 1.00 0.00 H new ATOM 627 N HIS A 37 -15.032 -6.099 14.352 1.00 0.00 N ATOM 628 CA HIS A 37 -13.866 -5.236 14.171 1.00 0.00 C ATOM 629 C HIS A 37 -12.718 -5.649 15.093 1.00 0.00 C ATOM 630 O HIS A 37 -11.568 -5.761 14.662 1.00 0.00 O ATOM 631 CB HIS A 37 -14.256 -3.775 14.429 1.00 0.00 C ATOM 632 CG HIS A 37 -13.103 -2.818 14.397 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.316 -2.559 15.498 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.613 -2.044 13.397 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.395 -1.669 15.179 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.553 -1.341 13.910 1.00 0.00 N ATOM 0 H HIS A 37 -15.916 -5.596 14.428 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.520 -5.342 13.143 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.989 -3.469 13.683 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.744 -3.707 15.401 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.428 -2.988 16.417 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.988 -1.991 12.385 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.640 -1.276 15.844 1.00 0.00 H new ATOM 645 N GLU A 38 -13.037 -5.878 16.364 1.00 0.00 N ATOM 646 CA GLU A 38 -12.032 -6.281 17.343 1.00 0.00 C ATOM 647 C GLU A 38 -11.252 -7.498 16.857 1.00 0.00 C ATOM 648 O GLU A 38 -10.101 -7.699 17.240 1.00 0.00 O ATOM 649 CB GLU A 38 -12.690 -6.582 18.692 1.00 0.00 C ATOM 650 CG GLU A 38 -13.785 -7.632 18.614 1.00 0.00 C ATOM 651 CD GLU A 38 -13.985 -8.362 19.929 1.00 0.00 C ATOM 652 OE1 GLU A 38 -13.006 -8.479 20.697 1.00 0.00 O ATOM 653 OE2 GLU A 38 -15.118 -8.815 20.190 1.00 0.00 O ATOM 0 H GLU A 38 -13.981 -5.792 16.739 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.333 -5.454 17.467 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.926 -6.918 19.393 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.110 -5.661 19.096 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.720 -7.156 18.321 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.537 -8.354 17.836 1.00 0.00 H new ATOM 660 N GLU A 39 -11.874 -8.288 15.989 1.00 0.00 N ATOM 661 CA GLU A 39 -11.219 -9.459 15.424 1.00 0.00 C ATOM 662 C GLU A 39 -10.415 -9.023 14.221 1.00 0.00 C ATOM 663 O GLU A 39 -9.304 -9.492 13.979 1.00 0.00 O ATOM 664 CB GLU A 39 -12.244 -10.521 15.023 1.00 0.00 C ATOM 665 CG GLU A 39 -11.807 -11.940 15.346 1.00 0.00 C ATOM 666 CD GLU A 39 -10.463 -12.289 14.739 1.00 0.00 C ATOM 667 OE1 GLU A 39 -9.451 -11.681 15.147 1.00 0.00 O ATOM 668 OE2 GLU A 39 -10.422 -13.171 13.855 1.00 0.00 O ATOM 0 H GLU A 39 -12.829 -8.138 15.663 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.563 -9.904 16.172 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.186 -10.315 15.531 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.436 -10.443 13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.756 -12.063 16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.559 -12.640 14.981 1.00 0.00 H new ATOM 675 N ARG A 40 -11.001 -8.089 13.485 1.00 0.00 N ATOM 676 CA ARG A 40 -10.379 -7.524 12.309 1.00 0.00 C ATOM 677 C ARG A 40 -9.008 -6.960 12.657 1.00 0.00 C ATOM 678 O ARG A 40 -8.135 -6.850 11.797 1.00 0.00 O ATOM 679 CB ARG A 40 -11.280 -6.439 11.741 1.00 0.00 C ATOM 680 CG ARG A 40 -12.066 -6.902 10.528 1.00 0.00 C ATOM 681 CD ARG A 40 -13.067 -7.985 10.905 1.00 0.00 C ATOM 682 NE ARG A 40 -13.248 -8.963 9.835 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.507 -10.254 10.037 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.622 -10.734 11.269 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.649 -11.067 9.001 1.00 0.00 N ATOM 0 H ARG A 40 -11.923 -7.705 13.692 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.241 -8.302 11.558 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.974 -6.108 12.514 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.673 -5.576 11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.591 -6.055 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.381 -7.283 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.727 -8.494 11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.027 -7.525 11.141 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.171 -8.636 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.512 -10.113 12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.820 -11.724 11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.560 -10.704 8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.847 -12.056 9.152 1.00 0.00 H new ATOM 699 N GLN A 41 -8.820 -6.624 13.933 1.00 0.00 N ATOM 700 CA GLN A 41 -7.540 -6.095 14.389 1.00 0.00 C ATOM 701 C GLN A 41 -6.446 -7.121 14.121 1.00 0.00 C ATOM 702 O GLN A 41 -5.383 -6.797 13.588 1.00 0.00 O ATOM 703 CB GLN A 41 -7.599 -5.737 15.881 1.00 0.00 C ATOM 704 CG GLN A 41 -7.391 -6.919 16.817 1.00 0.00 C ATOM 705 CD GLN A 41 -7.687 -6.575 18.264 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.769 -6.085 18.590 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.723 -6.828 19.143 1.00 0.00 N ATOM 0 H GLN A 41 -9.530 -6.708 14.660 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.314 -5.181 13.839 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.840 -4.983 16.092 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.567 -5.284 16.096 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.033 -7.743 16.504 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.362 -7.267 16.733 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.841 -7.235 18.830 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.865 -6.616 20.131 1.00 0.00 H new ATOM 716 N THR A 42 -6.739 -8.371 14.464 1.00 0.00 N ATOM 717 CA THR A 42 -5.809 -9.464 14.236 1.00 0.00 C ATOM 718 C THR A 42 -5.927 -9.935 12.798 1.00 0.00 C ATOM 719 O THR A 42 -4.947 -10.366 12.194 1.00 0.00 O ATOM 720 CB THR A 42 -6.085 -10.620 15.198 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.324 -10.137 16.508 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.948 -11.615 15.276 1.00 0.00 C ATOM 0 H THR A 42 -7.617 -8.650 14.902 1.00 0.00 H new ATOM 0 HA THR A 42 -4.795 -9.109 14.418 1.00 0.00 H new ATOM 0 HB THR A 42 -6.964 -11.126 14.798 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.500 -10.892 17.108 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.207 -12.410 15.975 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.771 -12.043 14.289 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.045 -11.110 15.619 1.00 0.00 H new ATOM 730 N ARG A 43 -7.130 -9.831 12.241 1.00 0.00 N ATOM 731 CA ARG A 43 -7.349 -10.226 10.861 1.00 0.00 C ATOM 732 C ARG A 43 -6.475 -9.385 9.943 1.00 0.00 C ATOM 733 O ARG A 43 -5.980 -9.865 8.923 1.00 0.00 O ATOM 734 CB ARG A 43 -8.822 -10.080 10.491 1.00 0.00 C ATOM 735 CG ARG A 43 -9.477 -11.394 10.107 1.00 0.00 C ATOM 736 CD ARG A 43 -10.658 -11.716 11.006 1.00 0.00 C ATOM 737 NE ARG A 43 -11.413 -12.872 10.529 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.001 -14.131 10.657 1.00 0.00 C ATOM 739 NH1 ARG A 43 -9.845 -14.401 11.252 1.00 0.00 N ATOM 740 NH2 ARG A 43 -11.747 -15.124 10.192 1.00 0.00 N ATOM 0 H ARG A 43 -7.958 -9.480 12.722 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.076 -11.274 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.360 -9.646 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.913 -9.380 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.811 -11.345 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.743 -12.198 10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.301 -11.909 12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.318 -10.850 11.061 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.309 -12.704 10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.268 -13.642 11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.534 -15.368 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.637 -14.923 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.431 -16.089 10.290 1.00 0.00 H new ATOM 754 N PHE A 44 -6.263 -8.130 10.333 1.00 0.00 N ATOM 755 CA PHE A 44 -5.426 -7.225 9.569 1.00 0.00 C ATOM 756 C PHE A 44 -3.955 -7.564 9.807 1.00 0.00 C ATOM 757 O PHE A 44 -3.203 -7.808 8.863 1.00 0.00 O ATOM 758 CB PHE A 44 -5.723 -5.777 9.964 1.00 0.00 C ATOM 759 CG PHE A 44 -4.500 -4.916 10.042 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.881 -4.471 8.890 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.967 -4.570 11.268 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.747 -3.691 8.955 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.830 -3.788 11.346 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.217 -3.347 10.187 1.00 0.00 C ATOM 0 H PHE A 44 -6.663 -7.721 11.177 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.642 -7.339 8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.415 -5.346 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.226 -5.768 10.931 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.291 -4.738 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.443 -4.914 12.174 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.273 -3.349 8.047 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.421 -3.522 12.310 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.328 -2.736 10.243 1.00 0.00 H new ATOM 774 N GLN A 45 -3.556 -7.588 11.080 1.00 0.00 N ATOM 775 CA GLN A 45 -2.177 -7.909 11.439 1.00 0.00 C ATOM 776 C GLN A 45 -1.809 -9.306 10.940 1.00 0.00 C ATOM 777 O GLN A 45 -0.642 -9.599 10.683 1.00 0.00 O ATOM 778 CB GLN A 45 -1.978 -7.807 12.957 1.00 0.00 C ATOM 779 CG GLN A 45 -2.412 -9.044 13.730 1.00 0.00 C ATOM 780 CD GLN A 45 -1.251 -9.962 14.059 1.00 0.00 C ATOM 781 OE1 GLN A 45 -1.205 -11.107 13.611 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.306 -9.463 14.847 1.00 0.00 N ATOM 0 H GLN A 45 -4.165 -7.390 11.874 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.517 -7.187 10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.925 -7.616 13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.536 -6.947 13.328 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.901 -8.737 14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.150 -9.593 13.145 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.385 -8.508 15.196 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.499 -10.035 15.103 1.00 0.00 H new ATOM 791 N ASN A 46 -2.823 -10.154 10.782 1.00 0.00 N ATOM 792 CA ASN A 46 -2.622 -11.510 10.288 1.00 0.00 C ATOM 793 C ASN A 46 -2.586 -11.494 8.767 1.00 0.00 C ATOM 794 O ASN A 46 -1.926 -12.319 8.136 1.00 0.00 O ATOM 795 CB ASN A 46 -3.731 -12.441 10.782 1.00 0.00 C ATOM 796 CG ASN A 46 -3.378 -13.904 10.606 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.754 -14.513 11.477 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.772 -14.479 9.475 1.00 0.00 N ATOM 0 H ASN A 46 -3.794 -9.923 10.990 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.673 -11.886 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.927 -12.241 11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.652 -12.224 10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.560 -15.462 9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.287 -13.938 8.780 1.00 0.00 H new ATOM 805 N ALA A 47 -3.278 -10.517 8.188 1.00 0.00 N ATOM 806 CA ALA A 47 -3.302 -10.348 6.748 1.00 0.00 C ATOM 807 C ALA A 47 -1.929 -9.898 6.291 1.00 0.00 C ATOM 808 O ALA A 47 -1.468 -10.252 5.206 1.00 0.00 O ATOM 809 CB ALA A 47 -4.367 -9.340 6.340 1.00 0.00 C ATOM 0 H ALA A 47 -3.830 -9.830 8.701 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.553 -11.296 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.367 -9.229 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.345 -9.691 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.153 -8.377 6.803 1.00 0.00 H new ATOM 815 N CYS A 48 -1.261 -9.145 7.162 1.00 0.00 N ATOM 816 CA CYS A 48 0.087 -8.680 6.881 1.00 0.00 C ATOM 817 C CYS A 48 1.019 -9.878 6.816 1.00 0.00 C ATOM 818 O CYS A 48 2.093 -9.817 6.218 1.00 0.00 O ATOM 819 CB CYS A 48 0.556 -7.698 7.957 1.00 0.00 C ATOM 820 SG CYS A 48 -0.003 -5.999 7.699 1.00 0.00 S ATOM 0 H CYS A 48 -1.633 -8.847 8.064 1.00 0.00 H new ATOM 0 HA CYS A 48 0.095 -8.157 5.925 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.201 -8.043 8.928 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.645 -7.709 7.994 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.724 -5.621 8.713 1.00 0.00 H new ATOM 826 N ARG A 49 0.583 -10.983 7.422 1.00 0.00 N ATOM 827 CA ARG A 49 1.369 -12.209 7.413 1.00 0.00 C ATOM 828 C ARG A 49 1.290 -12.862 6.032 1.00 0.00 C ATOM 829 O ARG A 49 2.191 -13.596 5.627 1.00 0.00 O ATOM 830 CB ARG A 49 0.881 -13.167 8.514 1.00 0.00 C ATOM 831 CG ARG A 49 0.449 -14.541 8.018 1.00 0.00 C ATOM 832 CD ARG A 49 -0.047 -15.416 9.159 1.00 0.00 C ATOM 833 NE ARG A 49 1.051 -16.074 9.862 1.00 0.00 N ATOM 834 CZ ARG A 49 0.879 -16.948 10.851 1.00 0.00 C ATOM 835 NH1 ARG A 49 -0.343 -17.274 11.254 1.00 0.00 N ATOM 836 NH2 ARG A 49 1.932 -17.502 11.437 1.00 0.00 N ATOM 0 H ARG A 49 -0.304 -11.051 7.921 1.00 0.00 H new ATOM 0 HA ARG A 49 2.412 -11.971 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.679 -13.294 9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.043 -12.704 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.340 -14.429 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.287 -15.030 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.614 -14.807 9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.730 -16.170 8.767 1.00 0.00 H new ATOM 0 HE ARG A 49 2.005 -15.851 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.157 -16.854 10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.468 -17.944 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.874 -17.258 11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.800 -18.172 12.195 1.00 0.00 H new ATOM 850 N ASP A 50 0.206 -12.575 5.314 1.00 0.00 N ATOM 851 CA ASP A 50 0.005 -13.115 3.975 1.00 0.00 C ATOM 852 C ASP A 50 0.326 -12.066 2.910 1.00 0.00 C ATOM 853 O ASP A 50 0.040 -12.263 1.729 1.00 0.00 O ATOM 854 CB ASP A 50 -1.436 -13.603 3.811 1.00 0.00 C ATOM 855 CG ASP A 50 -1.636 -15.008 4.345 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.855 -15.425 5.225 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.575 -15.691 3.883 1.00 0.00 O ATOM 0 H ASP A 50 -0.547 -11.970 5.640 1.00 0.00 H new ATOM 0 HA ASP A 50 0.684 -13.958 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.109 -12.921 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.708 -13.576 2.756 1.00 0.00 H new ATOM 862 N GLY A 51 0.929 -10.955 3.333 1.00 0.00 N ATOM 863 CA GLY A 51 1.287 -9.897 2.404 1.00 0.00 C ATOM 864 C GLY A 51 0.089 -9.301 1.692 1.00 0.00 C ATOM 865 O GLY A 51 0.201 -8.857 0.553 1.00 0.00 O ATOM 0 H GLY A 51 1.176 -10.770 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.810 -9.108 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.983 -10.292 1.664 1.00 0.00 H new ATOM 869 N ARG A 52 -1.056 -9.290 2.361 1.00 0.00 N ATOM 870 CA ARG A 52 -2.271 -8.736 1.782 1.00 0.00 C ATOM 871 C ARG A 52 -3.206 -8.178 2.843 1.00 0.00 C ATOM 872 O ARG A 52 -3.565 -8.865 3.797 1.00 0.00 O ATOM 873 CB ARG A 52 -2.997 -9.798 0.971 1.00 0.00 C ATOM 874 CG ARG A 52 -2.448 -9.920 -0.428 1.00 0.00 C ATOM 875 CD ARG A 52 -1.925 -11.319 -0.706 1.00 0.00 C ATOM 876 NE ARG A 52 -1.414 -11.456 -2.067 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.723 -12.509 -2.499 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.456 -13.518 -1.678 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.298 -12.554 -3.754 1.00 0.00 N ATOM 0 H ARG A 52 -1.168 -9.659 3.305 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.973 -7.913 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.914 -10.760 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.058 -9.554 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.228 -9.673 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.645 -9.197 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.132 -11.556 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.724 -12.043 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.597 -10.700 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.781 -13.489 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.074 -14.322 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.500 -11.782 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.231 -13.361 -4.085 1.00 0.00 H new ATOM 893 N SER A 53 -3.615 -6.934 2.645 1.00 0.00 N ATOM 894 CA SER A 53 -4.539 -6.275 3.562 1.00 0.00 C ATOM 895 C SER A 53 -5.483 -5.342 2.809 1.00 0.00 C ATOM 896 O SER A 53 -5.224 -4.961 1.663 1.00 0.00 O ATOM 897 CB SER A 53 -3.786 -5.500 4.640 1.00 0.00 C ATOM 898 OG SER A 53 -4.454 -5.588 5.886 1.00 0.00 O ATOM 0 H SER A 53 -3.322 -6.357 1.856 1.00 0.00 H new ATOM 0 HA SER A 53 -5.130 -7.052 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.774 -5.894 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.694 -4.455 4.345 1.00 0.00 H new ATOM 0 HG SER A 53 -3.929 -6.143 6.500 1.00 0.00 H new ATOM 904 N GLU A 54 -6.565 -4.960 3.474 1.00 0.00 N ATOM 905 CA GLU A 54 -7.546 -4.053 2.895 1.00 0.00 C ATOM 906 C GLU A 54 -7.777 -2.879 3.836 1.00 0.00 C ATOM 907 O GLU A 54 -8.505 -2.997 4.822 1.00 0.00 O ATOM 908 CB GLU A 54 -8.864 -4.783 2.629 1.00 0.00 C ATOM 909 CG GLU A 54 -9.756 -4.079 1.621 1.00 0.00 C ATOM 910 CD GLU A 54 -10.650 -5.041 0.862 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.848 -6.174 1.347 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.152 -4.660 -0.216 1.00 0.00 O ATOM 0 H GLU A 54 -6.786 -5.267 4.421 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.163 -3.682 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.647 -5.789 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.406 -4.891 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.374 -3.345 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.135 -3.530 0.913 1.00 0.00 H new ATOM 919 N ILE A 55 -7.138 -1.755 3.540 1.00 0.00 N ATOM 920 CA ILE A 55 -7.262 -0.570 4.377 1.00 0.00 C ATOM 921 C ILE A 55 -7.988 0.556 3.654 1.00 0.00 C ATOM 922 O ILE A 55 -8.020 0.606 2.424 1.00 0.00 O ATOM 923 CB ILE A 55 -5.879 -0.068 4.833 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.069 -1.219 5.441 1.00 0.00 C ATOM 925 CG2 ILE A 55 -6.026 1.070 5.832 1.00 0.00 C ATOM 926 CD1 ILE A 55 -3.732 -1.437 4.766 1.00 0.00 C ATOM 0 H ILE A 55 -6.530 -1.639 2.729 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.848 -0.861 5.249 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.343 0.310 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.904 -1.018 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.653 -2.137 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.039 1.411 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.565 1.895 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.580 0.720 6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.213 -2.266 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.890 -1.669 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.129 -0.533 4.852 1.00 0.00 H new ATOM 938 N ALA A 56 -8.562 1.463 4.434 1.00 0.00 N ATOM 939 CA ALA A 56 -9.286 2.601 3.887 1.00 0.00 C ATOM 940 C ALA A 56 -8.439 3.861 3.964 1.00 0.00 C ATOM 941 O ALA A 56 -7.552 3.972 4.810 1.00 0.00 O ATOM 942 CB ALA A 56 -10.597 2.800 4.629 1.00 0.00 C ATOM 0 H ALA A 56 -8.539 1.431 5.453 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.506 2.397 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.127 3.655 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.212 1.906 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.394 2.982 5.684 1.00 0.00 H new ATOM 948 N PHE A 57 -8.709 4.807 3.076 1.00 0.00 N ATOM 949 CA PHE A 57 -7.956 6.051 3.053 1.00 0.00 C ATOM 950 C PHE A 57 -8.852 7.204 3.509 1.00 0.00 C ATOM 951 O PHE A 57 -9.920 7.428 2.942 1.00 0.00 O ATOM 952 CB PHE A 57 -7.435 6.301 1.635 1.00 0.00 C ATOM 953 CG PHE A 57 -6.113 7.014 1.580 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.639 7.732 2.666 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.333 6.945 0.436 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.413 8.365 2.612 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.109 7.579 0.375 1.00 0.00 C ATOM 958 CZ PHE A 57 -3.648 8.289 1.465 1.00 0.00 C ATOM 0 H PHE A 57 -9.439 4.737 2.367 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.107 5.983 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.341 5.344 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.173 6.886 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.235 7.797 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.688 6.388 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.053 8.919 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.513 7.520 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.690 8.785 1.421 1.00 0.00 H new ATOM 968 N VAL A 58 -8.424 7.919 4.548 1.00 0.00 N ATOM 969 CA VAL A 58 -9.209 9.029 5.085 1.00 0.00 C ATOM 970 C VAL A 58 -9.097 10.278 4.216 1.00 0.00 C ATOM 971 O VAL A 58 -9.995 11.121 4.211 1.00 0.00 O ATOM 972 CB VAL A 58 -8.781 9.384 6.523 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.778 10.343 7.156 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.632 8.125 7.369 1.00 0.00 C ATOM 0 H VAL A 58 -7.542 7.751 5.033 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.245 8.691 5.090 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.811 9.879 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.459 10.582 8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.827 11.258 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.763 9.877 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.329 8.399 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.585 7.597 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.875 7.477 6.927 1.00 0.00 H new ATOM 984 N ALA A 59 -7.992 10.399 3.487 1.00 0.00 N ATOM 985 CA ALA A 59 -7.769 11.555 2.622 1.00 0.00 C ATOM 986 C ALA A 59 -9.001 11.873 1.778 1.00 0.00 C ATOM 987 O ALA A 59 -9.473 13.009 1.756 1.00 0.00 O ATOM 988 CB ALA A 59 -6.566 11.314 1.724 1.00 0.00 C ATOM 0 H ALA A 59 -7.238 9.713 3.477 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.574 12.416 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.410 12.182 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.680 11.152 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.744 10.435 1.105 1.00 0.00 H new ATOM 994 N THR A 60 -9.514 10.864 1.081 1.00 0.00 N ATOM 995 CA THR A 60 -10.687 11.041 0.232 1.00 0.00 C ATOM 996 C THR A 60 -11.684 9.898 0.416 1.00 0.00 C ATOM 997 O THR A 60 -12.578 9.708 -0.409 1.00 0.00 O ATOM 998 CB THR A 60 -10.268 11.133 -1.235 1.00 0.00 C ATOM 999 OG1 THR A 60 -9.646 9.932 -1.655 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.307 12.269 -1.513 1.00 0.00 C ATOM 0 H THR A 60 -9.136 9.916 1.087 1.00 0.00 H new ATOM 0 HA THR A 60 -11.175 11.970 0.527 1.00 0.00 H new ATOM 0 HB THR A 60 -11.190 11.315 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.387 10.010 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.050 12.277 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.776 13.216 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.402 12.133 -0.921 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.528 9.139 1.498 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.426 8.028 1.756 1.00 0.00 C ATOM 1010 C GLY A 61 -12.411 7.004 0.639 1.00 0.00 C ATOM 1011 O GLY A 61 -13.461 6.603 0.140 1.00 0.00 O ATOM 0 H GLY A 61 -10.798 9.273 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.144 7.546 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.440 8.406 1.886 1.00 0.00 H new ATOM 1015 N THR A 62 -11.213 6.585 0.244 1.00 0.00 N ATOM 1016 CA THR A 62 -11.060 5.606 -0.825 1.00 0.00 C ATOM 1017 C THR A 62 -10.590 4.262 -0.276 1.00 0.00 C ATOM 1018 O THR A 62 -9.645 4.199 0.510 1.00 0.00 O ATOM 1019 CB THR A 62 -10.067 6.116 -1.872 1.00 0.00 C ATOM 1020 OG1 THR A 62 -9.874 5.153 -2.893 1.00 0.00 O ATOM 1021 CG2 THR A 62 -8.707 6.452 -1.295 1.00 0.00 C ATOM 0 H THR A 62 -10.334 6.908 0.649 1.00 0.00 H new ATOM 0 HA THR A 62 -12.034 5.464 -1.293 1.00 0.00 H new ATOM 0 HB THR A 62 -10.511 7.029 -2.269 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.237 5.499 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.052 6.807 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.815 7.230 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.275 5.561 -0.840 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.247 3.188 -0.706 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.884 1.847 -0.265 1.00 0.00 C ATOM 1031 C ASN A 63 -9.674 1.353 -1.047 1.00 0.00 C ATOM 1032 O ASN A 63 -9.531 1.654 -2.232 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.059 0.886 -0.451 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.780 -0.487 0.130 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.100 -0.616 1.148 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.305 -1.521 -0.517 1.00 0.00 N ATOM 0 H ASN A 63 -12.031 3.221 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.632 1.884 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.946 1.305 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.281 0.790 -1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.151 -2.469 -0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.862 -1.367 -1.357 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.795 0.610 -0.384 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.596 0.108 -1.043 1.00 0.00 C ATOM 1045 C LEU A 64 -7.235 -1.304 -0.593 1.00 0.00 C ATOM 1046 O LEU A 64 -6.977 -1.551 0.584 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.419 1.045 -0.766 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.575 2.465 -1.319 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.223 3.495 -0.255 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.706 2.655 -2.554 1.00 0.00 C ATOM 0 H LEU A 64 -8.888 0.345 0.597 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.807 0.072 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.269 1.106 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.516 0.604 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.617 2.610 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.340 4.498 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.886 3.375 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.190 3.351 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.830 3.669 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.661 2.490 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.004 1.942 -3.322 1.00 0.00 H new ATOM 1062 N SER A 65 -7.175 -2.211 -1.561 1.00 0.00 N ATOM 1063 CA SER A 65 -6.793 -3.593 -1.308 1.00 0.00 C ATOM 1064 C SER A 65 -5.419 -3.819 -1.920 1.00 0.00 C ATOM 1065 O SER A 65 -5.284 -3.905 -3.140 1.00 0.00 O ATOM 1066 CB SER A 65 -7.813 -4.559 -1.913 1.00 0.00 C ATOM 1067 OG SER A 65 -9.110 -3.990 -1.926 1.00 0.00 O ATOM 0 H SER A 65 -7.389 -2.010 -2.538 1.00 0.00 H new ATOM 0 HA SER A 65 -6.764 -3.780 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.516 -4.817 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.825 -5.486 -1.340 1.00 0.00 H new ATOM 0 HG SER A 65 -9.694 -4.493 -1.321 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.392 -3.858 -1.080 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.029 -4.005 -1.575 1.00 0.00 C ATOM 1075 C LEU A 66 -2.363 -5.299 -1.134 1.00 0.00 C ATOM 1076 O LEU A 66 -2.646 -5.836 -0.064 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.180 -2.822 -1.116 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.857 -1.455 -1.233 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.442 -1.031 0.105 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.866 -0.418 -1.739 1.00 0.00 C ATOM 0 H LEU A 66 -4.474 -3.791 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.098 -4.034 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.894 -2.981 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.260 -2.806 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.674 -1.532 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.919 -0.056 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.181 -1.764 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.646 -0.968 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.361 0.550 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.031 -0.343 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.496 -0.717 -2.720 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.441 -5.763 -1.971 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.673 -6.967 -1.695 1.00 0.00 C ATOM 1094 C GLN A 67 0.792 -6.590 -1.526 1.00 0.00 C ATOM 1095 O GLN A 67 1.482 -6.286 -2.500 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.834 -7.982 -2.828 1.00 0.00 C ATOM 1097 CG GLN A 67 -0.651 -7.382 -4.212 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.969 -7.151 -4.926 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.651 -8.098 -5.316 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.333 -5.886 -5.100 1.00 0.00 N ATOM 0 H GLN A 67 -1.207 -5.315 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.041 -7.428 -0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.110 -8.785 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.825 -8.431 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.118 -6.435 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.028 -8.045 -4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.736 -5.132 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.210 -5.668 -5.574 1.00 0.00 H new ATOM 1109 N PHE A 68 1.253 -6.582 -0.283 1.00 0.00 N ATOM 1110 CA PHE A 68 2.630 -6.207 0.018 1.00 0.00 C ATOM 1111 C PHE A 68 3.510 -7.385 0.416 1.00 0.00 C ATOM 1112 O PHE A 68 3.209 -8.145 1.336 1.00 0.00 O ATOM 1113 CB PHE A 68 2.682 -5.113 1.087 1.00 0.00 C ATOM 1114 CG PHE A 68 1.417 -4.957 1.880 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.882 -6.006 2.618 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.760 -3.741 1.877 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.286 -5.831 3.334 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.402 -3.564 2.589 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.925 -4.606 3.318 1.00 0.00 C ATOM 0 H PHE A 68 0.695 -6.831 0.534 1.00 0.00 H new ATOM 0 HA PHE A 68 3.041 -5.817 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.501 -5.331 1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.914 -4.163 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.382 -6.963 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.166 -2.918 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.699 -6.650 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.904 -2.608 2.576 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.837 -4.467 3.879 1.00 0.00 H new ATOM 1129 N PHE A 69 4.618 -7.485 -0.303 1.00 0.00 N ATOM 1130 CA PHE A 69 5.631 -8.511 -0.097 1.00 0.00 C ATOM 1131 C PHE A 69 6.944 -8.028 -0.699 1.00 0.00 C ATOM 1132 O PHE A 69 6.964 -7.564 -1.839 1.00 0.00 O ATOM 1133 CB PHE A 69 5.226 -9.826 -0.769 1.00 0.00 C ATOM 1134 CG PHE A 69 4.443 -10.758 0.111 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.795 -10.957 1.439 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.357 -11.449 -0.402 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.074 -11.829 2.233 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.634 -12.317 0.389 1.00 0.00 C ATOM 1139 CZ PHE A 69 2.993 -12.510 1.707 1.00 0.00 C ATOM 0 H PHE A 69 4.843 -6.842 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 69 5.738 -8.690 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.633 -9.599 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.126 -10.338 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.639 -10.426 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.073 -11.306 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.356 -11.978 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.787 -12.845 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.430 -13.192 2.327 1.00 0.00 H new ATOM 1149 N PRO A 70 8.066 -8.127 0.031 1.00 0.00 N ATOM 1150 CA PRO A 70 9.360 -7.691 -0.493 1.00 0.00 C ATOM 1151 C PRO A 70 9.590 -8.222 -1.899 1.00 0.00 C ATOM 1152 O PRO A 70 9.903 -9.393 -2.080 1.00 0.00 O ATOM 1153 CB PRO A 70 10.359 -8.295 0.485 1.00 0.00 C ATOM 1154 CG PRO A 70 9.608 -8.413 1.769 1.00 0.00 C ATOM 1155 CD PRO A 70 8.171 -8.673 1.396 1.00 0.00 C ATOM 0 HA PRO A 70 9.440 -6.607 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.711 -9.268 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.237 -7.659 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.005 -9.225 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.698 -7.500 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.936 -9.737 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.483 -8.178 2.081 1.00 0.00 H new ATOM 1163 N ALA A 71 9.403 -7.346 -2.885 1.00 0.00 N ATOM 1164 CA ALA A 71 9.550 -7.690 -4.306 1.00 0.00 C ATOM 1165 C ALA A 71 10.743 -8.594 -4.593 1.00 0.00 C ATOM 1166 O ALA A 71 10.781 -9.266 -5.625 1.00 0.00 O ATOM 1167 CB ALA A 71 9.628 -6.422 -5.146 1.00 0.00 C ATOM 0 H ALA A 71 9.144 -6.373 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 71 8.664 -8.262 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.737 -6.688 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.716 -5.840 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.487 -5.829 -4.831 1.00 0.00 H new ATOM 1173 N SER A 72 11.706 -8.622 -3.693 1.00 0.00 N ATOM 1174 CA SER A 72 12.877 -9.458 -3.872 1.00 0.00 C ATOM 1175 C SER A 72 12.636 -10.868 -3.334 1.00 0.00 C ATOM 1176 O SER A 72 13.391 -11.358 -2.493 1.00 0.00 O ATOM 1177 CB SER A 72 14.060 -8.820 -3.160 1.00 0.00 C ATOM 1178 OG SER A 72 15.264 -9.519 -3.431 1.00 0.00 O ATOM 0 H SER A 72 11.701 -8.076 -2.831 1.00 0.00 H new ATOM 0 HA SER A 72 13.089 -9.541 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.161 -7.782 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.877 -8.809 -2.085 1.00 0.00 H new ATOM 0 HG SER A 72 15.177 -10.449 -3.134 1.00 0.00 H new ATOM 1319 N PRO A 81 6.774 -12.895 5.772 1.00 0.00 N ATOM 1320 CA PRO A 81 7.115 -11.650 5.082 1.00 0.00 C ATOM 1321 C PRO A 81 8.125 -10.799 5.844 1.00 0.00 C ATOM 1322 O PRO A 81 8.488 -11.105 6.979 1.00 0.00 O ATOM 1323 CB PRO A 81 5.773 -10.902 4.987 1.00 0.00 C ATOM 1324 CG PRO A 81 4.768 -11.760 5.691 1.00 0.00 C ATOM 1325 CD PRO A 81 5.333 -13.150 5.701 1.00 0.00 C ATOM 0 HA PRO A 81 7.583 -11.855 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.841 -9.919 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.489 -10.742 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.596 -11.403 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.807 -11.735 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.979 -13.728 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.061 -13.707 4.804 1.00 0.00 H new ATOM 1333 N SER A 82 8.561 -9.718 5.207 1.00 0.00 N ATOM 1334 CA SER A 82 9.520 -8.806 5.822 1.00 0.00 C ATOM 1335 C SER A 82 8.845 -7.494 6.205 1.00 0.00 C ATOM 1336 O SER A 82 7.824 -7.119 5.628 1.00 0.00 O ATOM 1337 CB SER A 82 10.689 -8.539 4.871 1.00 0.00 C ATOM 1338 OG SER A 82 11.105 -9.729 4.226 1.00 0.00 O ATOM 0 H SER A 82 8.267 -9.452 4.267 1.00 0.00 H new ATOM 0 HA SER A 82 9.905 -9.275 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.393 -7.802 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.524 -8.112 5.427 1.00 0.00 H new ATOM 0 HG SER A 82 11.852 -9.530 3.623 1.00 0.00 H new ATOM 1344 N ARG A 83 9.420 -6.800 7.182 1.00 0.00 N ATOM 1345 CA ARG A 83 8.870 -5.530 7.643 1.00 0.00 C ATOM 1346 C ARG A 83 9.010 -4.441 6.575 1.00 0.00 C ATOM 1347 O ARG A 83 8.432 -3.362 6.701 1.00 0.00 O ATOM 1348 CB ARG A 83 9.530 -5.130 8.979 1.00 0.00 C ATOM 1349 CG ARG A 83 10.411 -3.883 8.943 1.00 0.00 C ATOM 1350 CD ARG A 83 9.973 -2.870 9.990 1.00 0.00 C ATOM 1351 NE ARG A 83 10.644 -1.582 9.819 1.00 0.00 N ATOM 1352 CZ ARG A 83 11.906 -1.351 10.173 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.635 -2.312 10.725 1.00 0.00 N ATOM 1354 NH2 ARG A 83 12.440 -0.153 9.976 1.00 0.00 N ATOM 0 H ARG A 83 10.266 -7.095 7.669 1.00 0.00 H new ATOM 0 HA ARG A 83 7.801 -5.649 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.744 -4.974 9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.134 -5.967 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.450 -4.163 9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.364 -3.430 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.894 -2.728 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.187 -3.261 10.985 1.00 0.00 H new ATOM 0 HE ARG A 83 10.114 -0.816 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.229 -3.235 10.880 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.602 -2.128 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.884 0.590 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.407 0.025 10.247 1.00 0.00 H new ATOM 1368 N GLU A 84 9.766 -4.735 5.519 1.00 0.00 N ATOM 1369 CA GLU A 84 9.962 -3.785 4.431 1.00 0.00 C ATOM 1370 C GLU A 84 8.638 -3.460 3.758 1.00 0.00 C ATOM 1371 O GLU A 84 8.310 -2.294 3.538 1.00 0.00 O ATOM 1372 CB GLU A 84 10.947 -4.349 3.406 1.00 0.00 C ATOM 1373 CG GLU A 84 12.398 -4.021 3.719 1.00 0.00 C ATOM 1374 CD GLU A 84 13.359 -5.068 3.189 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.969 -5.822 2.273 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.501 -5.133 3.690 1.00 0.00 O ATOM 0 H GLU A 84 10.252 -5.623 5.396 1.00 0.00 H new ATOM 0 HA GLU A 84 10.373 -2.866 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.829 -5.432 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.698 -3.957 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.649 -3.052 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.522 -3.932 4.798 1.00 0.00 H new ATOM 1383 N TYR A 85 7.882 -4.499 3.424 1.00 0.00 N ATOM 1384 CA TYR A 85 6.596 -4.325 2.766 1.00 0.00 C ATOM 1385 C TYR A 85 5.447 -4.625 3.726 1.00 0.00 C ATOM 1386 O TYR A 85 4.332 -4.141 3.542 1.00 0.00 O ATOM 1387 CB TYR A 85 6.519 -5.214 1.526 1.00 0.00 C ATOM 1388 CG TYR A 85 7.348 -4.702 0.364 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.591 -4.104 0.569 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.885 -4.816 -0.941 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.342 -3.640 -0.495 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.633 -4.352 -2.008 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.858 -3.766 -1.779 1.00 0.00 C ATOM 1394 OH TYR A 85 9.605 -3.304 -2.840 1.00 0.00 O ATOM 0 H TYR A 85 8.139 -5.471 3.599 1.00 0.00 H new ATOM 0 HA TYR A 85 6.502 -3.285 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.854 -6.218 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.479 -5.297 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.973 -4.002 1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.925 -5.275 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.304 -3.181 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.258 -4.449 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 85 9.122 -3.470 -3.677 1.00 0.00 H new ATOM 1404 N VAL A 86 5.733 -5.405 4.765 1.00 0.00 N ATOM 1405 CA VAL A 86 4.736 -5.742 5.772 1.00 0.00 C ATOM 1406 C VAL A 86 5.391 -5.875 7.136 1.00 0.00 C ATOM 1407 O VAL A 86 6.132 -6.822 7.395 1.00 0.00 O ATOM 1408 CB VAL A 86 3.974 -7.041 5.467 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.564 -6.736 4.987 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.719 -7.896 4.456 1.00 0.00 C ATOM 0 H VAL A 86 6.652 -5.816 4.930 1.00 0.00 H new ATOM 0 HA VAL A 86 4.014 -4.925 5.763 1.00 0.00 H new ATOM 0 HB VAL A 86 3.904 -7.612 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.041 -7.669 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.027 -6.186 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.611 -6.134 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.153 -8.807 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.839 -7.339 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.701 -8.156 4.852 1.00 0.00 H new ATOM 1420 N ASP A 87 5.115 -4.912 7.995 1.00 0.00 N ATOM 1421 CA ASP A 87 5.678 -4.892 9.336 1.00 0.00 C ATOM 1422 C ASP A 87 4.802 -5.641 10.328 1.00 0.00 C ATOM 1423 O ASP A 87 3.575 -5.549 10.294 1.00 0.00 O ATOM 1424 CB ASP A 87 5.876 -3.448 9.802 1.00 0.00 C ATOM 1425 CG ASP A 87 6.514 -3.362 11.175 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.638 -3.881 11.342 1.00 0.00 O ATOM 1427 OD2 ASP A 87 5.888 -2.777 12.085 1.00 0.00 O ATOM 0 H ASP A 87 4.499 -4.126 7.787 1.00 0.00 H new ATOM 0 HA ASP A 87 6.643 -5.398 9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.500 -2.920 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.912 -2.940 9.821 1.00 0.00 H new ATOM 1515 N GLY A 93 4.705 0.982 17.467 1.00 0.00 N ATOM 1516 CA GLY A 93 3.455 0.637 18.124 1.00 0.00 C ATOM 1517 C GLY A 93 2.376 0.227 17.137 1.00 0.00 C ATOM 1518 O GLY A 93 1.341 -0.314 17.525 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.630 -0.178 18.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.106 1.490 18.706 1.00 0.00 H new ATOM 1522 N LYS A 94 2.625 0.485 15.857 1.00 0.00 N ATOM 1523 CA LYS A 94 1.681 0.144 14.799 1.00 0.00 C ATOM 1524 C LYS A 94 2.378 -0.706 13.742 1.00 0.00 C ATOM 1525 O LYS A 94 3.577 -0.964 13.838 1.00 0.00 O ATOM 1526 CB LYS A 94 1.105 1.412 14.152 1.00 0.00 C ATOM 1527 CG LYS A 94 1.243 2.663 15.008 1.00 0.00 C ATOM 1528 CD LYS A 94 2.544 3.394 14.722 1.00 0.00 C ATOM 1529 CE LYS A 94 3.017 4.186 15.931 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.005 5.183 16.376 1.00 0.00 N ATOM 0 H LYS A 94 3.480 0.933 15.526 1.00 0.00 H new ATOM 0 HA LYS A 94 0.859 -0.422 15.237 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.605 1.580 13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.050 1.249 13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.401 3.329 14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.202 2.390 16.062 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.311 2.675 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.406 4.068 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.235 3.501 16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.948 4.698 15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.412 5.780 17.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.727 5.779 15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.168 4.687 16.745 1.00 0.00 H new ATOM 1544 N VAL A 95 1.630 -1.141 12.735 1.00 0.00 N ATOM 1545 CA VAL A 95 2.200 -1.960 11.670 1.00 0.00 C ATOM 1546 C VAL A 95 2.077 -1.264 10.316 1.00 0.00 C ATOM 1547 O VAL A 95 0.973 -1.022 9.830 1.00 0.00 O ATOM 1548 CB VAL A 95 1.529 -3.361 11.603 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.144 -3.334 12.234 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.450 -3.874 10.168 1.00 0.00 C ATOM 0 H VAL A 95 0.635 -0.943 12.633 1.00 0.00 H new ATOM 0 HA VAL A 95 3.256 -2.095 11.904 1.00 0.00 H new ATOM 0 HB VAL A 95 2.154 -4.048 12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.303 -4.326 12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.226 -3.036 13.279 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.485 -2.620 11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.976 -4.855 10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.863 -3.181 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.455 -3.953 9.754 1.00 0.00 H new ATOM 1560 N TYR A 96 3.222 -0.968 9.706 1.00 0.00 N ATOM 1561 CA TYR A 96 3.247 -0.323 8.395 1.00 0.00 C ATOM 1562 C TYR A 96 3.662 -1.294 7.302 1.00 0.00 C ATOM 1563 O TYR A 96 4.511 -2.162 7.507 1.00 0.00 O ATOM 1564 CB TYR A 96 4.146 0.922 8.370 1.00 0.00 C ATOM 1565 CG TYR A 96 5.146 1.028 9.501 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.019 -0.007 9.810 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.215 2.190 10.257 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.931 0.116 10.844 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.121 2.323 11.286 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.977 1.284 11.577 1.00 0.00 C ATOM 1571 OH TYR A 96 7.882 1.415 12.603 1.00 0.00 O ATOM 0 H TYR A 96 4.143 -1.164 10.097 1.00 0.00 H new ATOM 0 HA TYR A 96 2.226 0.004 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.690 0.937 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.511 1.808 8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.986 -0.921 9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.544 3.007 10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.603 -0.697 11.076 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.160 3.236 11.861 1.00 0.00 H new ATOM 0 HH TYR A 96 7.783 2.298 13.015 1.00 0.00 H new ATOM 1581 N LEU A 97 3.038 -1.138 6.142 1.00 0.00 N ATOM 1582 CA LEU A 97 3.313 -1.990 4.999 1.00 0.00 C ATOM 1583 C LEU A 97 3.336 -1.178 3.709 1.00 0.00 C ATOM 1584 O LEU A 97 2.571 -0.225 3.550 1.00 0.00 O ATOM 1585 CB LEU A 97 2.263 -3.106 4.898 1.00 0.00 C ATOM 1586 CG LEU A 97 0.840 -2.726 5.333 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.762 -2.489 6.835 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.357 -1.499 4.580 1.00 0.00 C ATOM 0 H LEU A 97 2.332 -0.422 5.970 1.00 0.00 H new ATOM 0 HA LEU A 97 4.296 -2.440 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.227 -3.452 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.596 -3.948 5.505 1.00 0.00 H new ATOM 0 HG LEU A 97 0.187 -3.565 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.259 -2.222 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.053 -3.397 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.436 -1.678 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.653 -1.248 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.023 -0.661 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.354 -1.707 3.510 1.00 0.00 H new ATOM 1600 N LYS A 98 4.219 -1.566 2.793 1.00 0.00 N ATOM 1601 CA LYS A 98 4.353 -0.891 1.508 1.00 0.00 C ATOM 1602 C LYS A 98 4.064 -1.864 0.371 1.00 0.00 C ATOM 1603 O LYS A 98 4.677 -2.927 0.286 1.00 0.00 O ATOM 1604 CB LYS A 98 5.764 -0.313 1.356 1.00 0.00 C ATOM 1605 CG LYS A 98 5.995 0.389 0.027 1.00 0.00 C ATOM 1606 CD LYS A 98 7.277 -0.085 -0.641 1.00 0.00 C ATOM 1607 CE LYS A 98 8.458 0.797 -0.268 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.149 0.311 0.958 1.00 0.00 N ATOM 0 H LYS A 98 4.857 -2.352 2.920 1.00 0.00 H new ATOM 0 HA LYS A 98 3.632 -0.074 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.948 0.392 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.491 -1.118 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.149 0.204 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.044 1.466 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.483 -1.114 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.147 -0.083 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.166 0.825 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.112 1.818 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.948 0.939 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.481 0.308 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.502 -0.654 0.798 1.00 0.00 H new ATOM 1622 N ALA A 99 3.121 -1.505 -0.495 1.00 0.00 N ATOM 1623 CA ALA A 99 2.753 -2.368 -1.612 1.00 0.00 C ATOM 1624 C ALA A 99 2.912 -1.661 -2.958 1.00 0.00 C ATOM 1625 O ALA A 99 2.570 -0.486 -3.098 1.00 0.00 O ATOM 1626 CB ALA A 99 1.321 -2.856 -1.446 1.00 0.00 C ATOM 0 H ALA A 99 2.601 -0.629 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 99 3.432 -3.220 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.056 -3.499 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.234 -3.418 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.646 -2.001 -1.418 1.00 0.00 H new ATOM 1632 N PRO A 100 3.424 -2.383 -3.974 1.00 0.00 N ATOM 1633 CA PRO A 100 3.619 -1.847 -5.315 1.00 0.00 C ATOM 1634 C PRO A 100 2.399 -2.100 -6.197 1.00 0.00 C ATOM 1635 O PRO A 100 2.051 -3.250 -6.466 1.00 0.00 O ATOM 1636 CB PRO A 100 4.819 -2.654 -5.806 1.00 0.00 C ATOM 1637 CG PRO A 100 4.654 -3.997 -5.170 1.00 0.00 C ATOM 1638 CD PRO A 100 3.852 -3.793 -3.902 1.00 0.00 C ATOM 0 HA PRO A 100 3.769 -0.768 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.829 -2.729 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.759 -2.188 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.141 -4.682 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.625 -4.439 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.997 -4.468 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.455 -3.982 -3.014 1.00 0.00 H new ATOM 1646 N MET A 101 1.737 -1.030 -6.629 1.00 0.00 N ATOM 1647 CA MET A 101 0.546 -1.164 -7.457 1.00 0.00 C ATOM 1648 C MET A 101 0.629 -0.302 -8.708 1.00 0.00 C ATOM 1649 O MET A 101 1.431 0.630 -8.787 1.00 0.00 O ATOM 1650 CB MET A 101 -0.697 -0.781 -6.652 1.00 0.00 C ATOM 1651 CG MET A 101 -1.415 -1.977 -6.054 1.00 0.00 C ATOM 1652 SD MET A 101 -2.406 -1.557 -4.606 1.00 0.00 S ATOM 1653 CE MET A 101 -3.375 -0.181 -5.225 1.00 0.00 C ATOM 0 H MET A 101 2.004 -0.068 -6.420 1.00 0.00 H new ATOM 0 HA MET A 101 0.478 -2.206 -7.769 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.408 -0.101 -5.851 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.387 -0.237 -7.298 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.060 -2.422 -6.812 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.680 -2.733 -5.777 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.187 0.033 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.738 0.698 -5.321 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.789 -0.437 -6.200 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.221 -0.616 -9.679 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.267 0.130 -10.925 1.00 0.00 C ATOM 1665 C ILE A 102 -1.491 1.037 -10.950 1.00 0.00 C ATOM 1666 O ILE A 102 -2.617 0.575 -11.133 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.301 -0.811 -12.148 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.968 -1.663 -12.195 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.455 -0.015 -13.438 1.00 0.00 C ATOM 1670 CD1 ILE A 102 2.223 -0.865 -12.481 1.00 0.00 C ATOM 0 H ILE A 102 -0.889 -1.385 -9.624 1.00 0.00 H new ATOM 0 HA ILE A 102 0.639 0.733 -10.981 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.163 -1.471 -12.050 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.085 -2.179 -11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.853 -2.430 -12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.477 -0.698 -14.287 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.385 0.553 -13.406 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.386 0.670 -13.545 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.083 -1.534 -12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.127 -0.370 -13.448 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.363 -0.115 -11.702 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.258 2.328 -10.767 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.336 3.311 -10.770 1.00 0.00 C ATOM 1684 C LEU A 103 -2.315 4.110 -12.063 1.00 0.00 C ATOM 1685 O LEU A 103 -1.265 4.282 -12.659 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.226 4.244 -9.564 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.976 3.775 -8.314 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.605 4.630 -7.112 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.479 3.813 -8.551 1.00 0.00 C ATOM 0 H LEU A 103 -0.330 2.722 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.285 2.779 -10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.172 4.366 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.602 5.227 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.684 2.746 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.149 4.280 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.533 4.554 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.867 5.669 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.998 3.477 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.785 4.833 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.733 3.157 -9.384 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.486 4.577 -12.490 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.642 5.350 -13.733 1.00 0.00 C ATOM 1703 C ASN A 104 -2.333 5.516 -14.518 1.00 0.00 C ATOM 1704 O ASN A 104 -1.648 6.531 -14.402 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.205 6.730 -13.399 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.686 6.688 -13.076 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.526 7.000 -13.919 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.012 6.300 -11.848 1.00 0.00 N ATOM 0 H ASN A 104 -4.361 4.433 -11.986 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.324 4.788 -14.371 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.662 7.145 -12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.039 7.401 -14.242 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.993 6.252 -11.572 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.282 6.050 -11.181 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.017 4.507 -15.335 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.815 4.530 -16.164 1.00 0.00 C ATOM 1717 C GLY A 105 0.412 5.088 -15.464 1.00 0.00 C ATOM 1718 O GLY A 105 1.081 5.975 -15.993 1.00 0.00 O ATOM 0 H GLY A 105 -2.581 3.663 -15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.599 3.516 -16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.013 5.125 -17.056 1.00 0.00 H new ATOM 1722 N VAL A 106 0.707 4.566 -14.277 1.00 0.00 N ATOM 1723 CA VAL A 106 1.853 5.009 -13.496 1.00 0.00 C ATOM 1724 C VAL A 106 2.196 3.979 -12.425 1.00 0.00 C ATOM 1725 O VAL A 106 1.317 3.277 -11.924 1.00 0.00 O ATOM 1726 CB VAL A 106 1.572 6.363 -12.803 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.686 6.717 -11.827 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.390 7.469 -13.828 1.00 0.00 C ATOM 0 H VAL A 106 0.160 3.828 -13.833 1.00 0.00 H new ATOM 0 HA VAL A 106 2.689 5.126 -14.186 1.00 0.00 H new ATOM 0 HB VAL A 106 0.644 6.263 -12.239 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.464 7.673 -11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.761 5.942 -11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.631 6.789 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.194 8.411 -13.316 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.296 7.563 -14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.549 7.228 -14.478 1.00 0.00 H new ATOM 1738 N CYS A 107 3.469 3.912 -12.056 1.00 0.00 N ATOM 1739 CA CYS A 107 3.903 2.987 -11.019 1.00 0.00 C ATOM 1740 C CYS A 107 3.758 3.661 -9.662 1.00 0.00 C ATOM 1741 O CYS A 107 4.385 4.689 -9.401 1.00 0.00 O ATOM 1742 CB CYS A 107 5.353 2.553 -11.254 1.00 0.00 C ATOM 1743 SG CYS A 107 6.030 1.490 -9.957 1.00 0.00 S ATOM 0 H CYS A 107 4.213 4.483 -12.456 1.00 0.00 H new ATOM 0 HA CYS A 107 3.281 2.093 -11.048 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.413 2.027 -12.207 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.977 3.443 -11.341 1.00 0.00 H new ATOM 0 HG CYS A 107 7.257 1.177 -10.249 1.00 0.00 H new ATOM 1749 N VAL A 108 2.900 3.108 -8.811 1.00 0.00 N ATOM 1750 CA VAL A 108 2.654 3.700 -7.507 1.00 0.00 C ATOM 1751 C VAL A 108 3.046 2.779 -6.359 1.00 0.00 C ATOM 1752 O VAL A 108 3.017 1.554 -6.482 1.00 0.00 O ATOM 1753 CB VAL A 108 1.176 4.094 -7.364 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.836 5.206 -8.347 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.278 2.883 -7.585 1.00 0.00 C ATOM 0 H VAL A 108 2.369 2.258 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 108 3.283 4.588 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 108 1.005 4.461 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.214 5.479 -8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.460 6.076 -8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.018 4.860 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.766 3.180 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.443 2.485 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.513 2.116 -6.847 1.00 0.00 H new ATOM 1765 N ILE A 109 3.409 3.398 -5.243 1.00 0.00 N ATOM 1766 CA ILE A 109 3.813 2.682 -4.044 1.00 0.00 C ATOM 1767 C ILE A 109 3.075 3.231 -2.830 1.00 0.00 C ATOM 1768 O ILE A 109 3.370 4.332 -2.365 1.00 0.00 O ATOM 1769 CB ILE A 109 5.329 2.814 -3.792 1.00 0.00 C ATOM 1770 CG1 ILE A 109 6.108 2.826 -5.114 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.817 1.689 -2.891 1.00 0.00 C ATOM 1772 CD1 ILE A 109 6.107 1.496 -5.836 1.00 0.00 C ATOM 0 H ILE A 109 3.431 4.413 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 109 3.566 1.631 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 109 5.509 3.764 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.681 3.585 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.139 3.120 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.889 1.796 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.293 1.735 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.619 0.729 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.677 1.584 -6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.562 0.736 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.081 1.209 -6.068 1.00 0.00 H new ATOM 1784 N TRP A 110 2.115 2.472 -2.317 1.00 0.00 N ATOM 1785 CA TRP A 110 1.351 2.912 -1.156 1.00 0.00 C ATOM 1786 C TRP A 110 1.892 2.282 0.123 1.00 0.00 C ATOM 1787 O TRP A 110 1.975 1.060 0.239 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.133 2.573 -1.322 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.953 2.933 -0.120 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.594 4.115 0.118 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.208 2.102 1.015 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.232 4.068 1.336 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.010 2.841 1.905 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.837 0.803 1.362 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.444 2.320 3.123 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.267 0.288 2.567 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.063 1.042 3.436 1.00 0.00 C ATOM 0 H TRP A 110 1.848 1.558 -2.682 1.00 0.00 H new ATOM 0 HA TRP A 110 1.455 3.994 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.525 3.098 -2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.237 1.506 -1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.599 4.962 -0.552 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.780 4.823 1.748 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.224 0.211 0.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.058 2.902 3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.984 -0.716 2.845 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.383 0.608 4.372 1.00 0.00 H new ATOM 1808 N LYS A 111 2.255 3.127 1.082 1.00 0.00 N ATOM 1809 CA LYS A 111 2.784 2.659 2.352 1.00 0.00 C ATOM 1810 C LYS A 111 2.118 3.396 3.511 1.00 0.00 C ATOM 1811 O LYS A 111 1.887 4.603 3.441 1.00 0.00 O ATOM 1812 CB LYS A 111 4.304 2.849 2.390 1.00 0.00 C ATOM 1813 CG LYS A 111 4.909 2.730 3.778 1.00 0.00 C ATOM 1814 CD LYS A 111 4.870 4.062 4.504 1.00 0.00 C ATOM 1815 CE LYS A 111 4.644 3.881 5.995 1.00 0.00 C ATOM 1816 NZ LYS A 111 4.785 5.164 6.737 1.00 0.00 N ATOM 0 H LYS A 111 2.191 4.142 1.001 1.00 0.00 H new ATOM 0 HA LYS A 111 2.565 1.596 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.768 2.109 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.547 3.830 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.364 1.982 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.940 2.384 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.807 4.594 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.075 4.681 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.648 3.471 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.358 3.156 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.623 4.998 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.743 5.543 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.087 5.849 6.383 1.00 0.00 H new ATOM 1830 N GLY A 112 1.811 2.662 4.575 1.00 0.00 N ATOM 1831 CA GLY A 112 1.171 3.271 5.730 1.00 0.00 C ATOM 1832 C GLY A 112 1.016 2.303 6.887 1.00 0.00 C ATOM 1833 O GLY A 112 1.033 1.089 6.691 1.00 0.00 O ATOM 0 H GLY A 112 1.992 1.662 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.758 4.130 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.189 3.647 5.441 1.00 0.00 H new ATOM 1837 N TRP A 113 0.864 2.840 8.096 1.00 0.00 N ATOM 1838 CA TRP A 113 0.707 2.003 9.281 1.00 0.00 C ATOM 1839 C TRP A 113 -0.676 2.156 9.899 1.00 0.00 C ATOM 1840 O TRP A 113 -1.300 3.214 9.814 1.00 0.00 O ATOM 1841 CB TRP A 113 1.775 2.327 10.333 1.00 0.00 C ATOM 1842 CG TRP A 113 1.732 3.739 10.833 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.604 4.743 10.524 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.779 4.301 11.744 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.246 5.897 11.179 1.00 0.00 N ATOM 1846 CE2 TRP A 113 1.131 5.650 11.935 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.340 3.796 12.415 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.406 6.499 12.767 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.057 4.641 13.241 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.683 5.979 13.410 1.00 0.00 C ATOM 0 H TRP A 113 0.846 3.843 8.279 1.00 0.00 H new ATOM 0 HA TRP A 113 0.829 0.970 8.955 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.654 1.650 11.178 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.760 2.133 9.907 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.451 4.645 9.862 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.732 6.792 11.113 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.638 2.765 12.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.694 7.532 12.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.922 4.262 13.766 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.266 6.613 14.061 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.126 1.089 10.546 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.416 1.075 11.221 1.00 0.00 C ATOM 1863 C ILE A 114 -2.200 0.762 12.692 1.00 0.00 C ATOM 1864 O ILE A 114 -1.308 -0.012 13.036 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.396 0.030 10.624 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.871 -0.538 9.300 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.771 0.650 10.428 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.800 0.485 8.188 1.00 0.00 C ATOM 0 H ILE A 114 -0.609 0.213 10.617 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.865 2.059 11.085 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.477 -0.796 11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.877 -0.956 9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.515 -1.360 8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.449 -0.093 10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.156 0.992 11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.694 1.497 9.746 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.420 0.012 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.796 0.885 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.133 1.296 8.481 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.002 1.358 13.564 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.847 1.114 14.989 1.00 0.00 C ATOM 1882 C ASP A 115 -3.619 -0.138 15.390 1.00 0.00 C ATOM 1883 O ASP A 115 -4.747 -0.361 14.947 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.295 2.333 15.803 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.756 2.285 16.189 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.057 1.714 17.256 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.596 2.814 15.431 1.00 0.00 O ATOM 0 H ASP A 115 -3.753 2.002 13.315 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.792 0.949 15.206 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.689 2.402 16.706 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.108 3.237 15.224 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.979 -0.968 16.202 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.560 -2.232 16.641 1.00 0.00 C ATOM 1894 C LEU A 116 -4.623 -2.061 17.730 1.00 0.00 C ATOM 1895 O LEU A 116 -5.043 -3.044 18.340 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.444 -3.153 17.133 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.180 -3.151 16.261 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.073 -3.040 17.118 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.128 -4.398 15.385 1.00 0.00 C ATOM 0 H LEU A 116 -2.047 -0.787 16.574 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.069 -2.672 15.783 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.170 -2.860 18.147 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.829 -4.171 17.188 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.220 -2.278 15.610 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.954 -3.041 16.476 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.042 -2.113 17.690 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.122 -3.887 17.802 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.225 -4.377 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.119 -5.286 16.017 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.003 -4.424 14.736 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.070 -0.831 17.970 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.094 -0.589 18.981 1.00 0.00 C ATOM 1913 C HIS A 117 -7.398 -0.145 18.326 1.00 0.00 C ATOM 1914 O HIS A 117 -8.407 -0.849 18.376 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.620 0.474 19.975 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.203 0.289 20.421 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.861 -0.190 21.669 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.035 0.521 19.776 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.545 -0.245 21.771 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.021 0.181 20.637 1.00 0.00 N ATOM 0 H HIS A 117 -4.744 0.004 17.484 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.272 -1.521 19.518 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.723 1.458 19.518 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.272 0.459 20.848 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.922 0.902 18.772 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.992 -0.581 22.635 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.024 0.247 20.433 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.357 1.024 17.704 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.518 1.583 17.017 1.00 0.00 C ATOM 1931 C ARG A 118 -8.577 1.120 15.560 1.00 0.00 C ATOM 1932 O ARG A 118 -9.580 1.328 14.879 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.509 3.121 17.067 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.415 3.726 17.939 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.365 5.238 17.794 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.398 5.656 16.781 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.450 6.819 16.136 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.415 7.693 16.402 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -5.533 7.113 15.226 1.00 0.00 N ATOM 0 H ARG A 118 -6.524 1.611 17.660 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.403 1.218 17.539 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.398 3.503 16.052 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.477 3.464 17.432 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.592 3.464 18.982 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.450 3.300 17.663 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.354 5.610 17.527 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.104 5.686 18.753 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.636 5.017 16.554 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.122 7.474 17.104 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.449 8.583 15.904 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.787 6.448 15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.573 8.004 14.731 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.497 0.499 15.081 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.436 0.022 13.703 1.00 0.00 C ATOM 1955 C LEU A 119 -7.399 1.189 12.723 1.00 0.00 C ATOM 1956 O LEU A 119 -7.924 1.115 11.609 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.623 -0.879 13.403 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.268 -2.349 13.200 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.513 -3.163 12.882 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.231 -2.493 12.094 1.00 0.00 C ATOM 0 H LEU A 119 -6.656 0.316 15.628 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.518 -0.553 13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.338 -0.801 14.222 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.124 -0.512 12.507 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.841 -2.734 14.126 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.238 -4.208 12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.221 -3.082 13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.973 -2.783 11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.987 -3.547 11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.633 -2.092 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.330 -1.943 12.366 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.769 2.262 13.159 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.633 3.468 12.351 1.00 0.00 C ATOM 1974 C ASP A 120 -5.217 4.025 12.462 1.00 0.00 C ATOM 1975 O ASP A 120 -4.601 3.966 13.526 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.646 4.524 12.794 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.055 4.208 12.330 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.401 3.010 12.258 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.813 5.158 12.042 1.00 0.00 O ATOM 0 H ASP A 120 -6.336 2.327 14.080 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.829 3.209 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.634 4.601 13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.347 5.496 12.402 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.700 4.561 11.361 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.358 5.111 11.376 1.00 0.00 C ATOM 1986 C GLY A 121 -3.145 6.170 10.315 1.00 0.00 C ATOM 1987 O GLY A 121 -4.010 7.016 10.089 1.00 0.00 O ATOM 0 H GLY A 121 -5.183 4.624 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.158 5.541 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.639 4.306 11.228 1.00 0.00 H new ATOM 1991 N MET A 122 -1.987 6.125 9.665 1.00 0.00 N ATOM 1992 CA MET A 122 -1.658 7.090 8.623 1.00 0.00 C ATOM 1993 C MET A 122 -1.125 6.394 7.378 1.00 0.00 C ATOM 1994 O MET A 122 -0.327 5.460 7.468 1.00 0.00 O ATOM 1995 CB MET A 122 -0.626 8.096 9.135 1.00 0.00 C ATOM 1996 CG MET A 122 -1.005 8.736 10.460 1.00 0.00 C ATOM 1997 SD MET A 122 -0.214 10.336 10.709 1.00 0.00 S ATOM 1998 CE MET A 122 -1.642 11.416 10.728 1.00 0.00 C ATOM 0 H MET A 122 -1.261 5.431 9.841 1.00 0.00 H new ATOM 0 HA MET A 122 -2.574 7.618 8.357 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.335 7.594 9.246 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.492 8.879 8.388 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.087 8.859 10.503 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.728 8.067 11.275 1.00 0.00 H new ATOM 0 HE1 MET A 122 -1.362 12.382 11.149 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.006 11.556 9.710 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.428 10.969 11.336 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.566 6.861 6.216 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.121 6.281 4.965 1.00 0.00 C ATOM 2010 C GLY A 123 -0.463 7.306 4.067 1.00 0.00 C ATOM 2011 O GLY A 123 -0.527 8.506 4.335 1.00 0.00 O ATOM 0 H GLY A 123 -2.226 7.633 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.418 5.474 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.972 5.839 4.447 1.00 0.00 H new ATOM 2015 N CYS A 124 0.171 6.840 2.998 1.00 0.00 N ATOM 2016 CA CYS A 124 0.840 7.740 2.068 1.00 0.00 C ATOM 2017 C CYS A 124 1.183 7.030 0.765 1.00 0.00 C ATOM 2018 O CYS A 124 1.575 5.863 0.765 1.00 0.00 O ATOM 2019 CB CYS A 124 2.112 8.308 2.701 1.00 0.00 C ATOM 2020 SG CYS A 124 3.394 7.073 3.024 1.00 0.00 S ATOM 0 H CYS A 124 0.236 5.852 2.755 1.00 0.00 H new ATOM 0 HA CYS A 124 0.155 8.557 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.520 9.076 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.850 8.798 3.639 1.00 0.00 H new ATOM 0 HG CYS A 124 2.860 5.888 3.040 1.00 0.00 H new ATOM 2026 N LEU A 125 1.043 7.746 -0.345 1.00 0.00 N ATOM 2027 CA LEU A 125 1.349 7.185 -1.657 1.00 0.00 C ATOM 2028 C LEU A 125 2.735 7.625 -2.115 1.00 0.00 C ATOM 2029 O LEU A 125 3.298 8.584 -1.589 1.00 0.00 O ATOM 2030 CB LEU A 125 0.302 7.604 -2.691 1.00 0.00 C ATOM 2031 CG LEU A 125 -0.901 6.668 -2.820 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -1.936 7.259 -3.767 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.460 5.297 -3.306 1.00 0.00 C ATOM 0 H LEU A 125 0.721 8.714 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 125 1.332 6.099 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.059 8.600 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.787 7.681 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.356 6.555 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.785 6.580 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.275 8.220 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.490 7.400 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.329 4.645 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.019 5.393 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.246 4.869 -2.595 1.00 0.00 H new ATOM 2045 N GLU A 126 3.280 6.917 -3.093 1.00 0.00 N ATOM 2046 CA GLU A 126 4.598 7.231 -3.623 1.00 0.00 C ATOM 2047 C GLU A 126 4.681 6.831 -5.087 1.00 0.00 C ATOM 2048 O GLU A 126 3.925 5.979 -5.545 1.00 0.00 O ATOM 2049 CB GLU A 126 5.683 6.513 -2.816 1.00 0.00 C ATOM 2050 CG GLU A 126 6.363 7.401 -1.785 1.00 0.00 C ATOM 2051 CD GLU A 126 7.834 7.617 -2.080 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.462 6.710 -2.668 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.360 8.693 -1.725 1.00 0.00 O ATOM 0 H GLU A 126 2.827 6.118 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 126 4.760 8.306 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.240 5.656 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.436 6.124 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.857 8.366 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.257 6.952 -0.798 1.00 0.00 H new ATOM 2060 N PHE A 127 5.595 7.444 -5.821 1.00 0.00 N ATOM 2061 CA PHE A 127 5.759 7.135 -7.224 1.00 0.00 C ATOM 2062 C PHE A 127 7.156 6.565 -7.459 1.00 0.00 C ATOM 2063 O PHE A 127 8.128 7.019 -6.855 1.00 0.00 O ATOM 2064 CB PHE A 127 5.506 8.397 -8.052 1.00 0.00 C ATOM 2065 CG PHE A 127 6.143 8.382 -9.402 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.493 8.622 -9.531 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.392 8.130 -10.536 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.093 8.613 -10.774 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.983 8.119 -11.782 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.338 8.362 -11.902 1.00 0.00 C ATOM 0 H PHE A 127 6.232 8.157 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 127 5.037 6.380 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.431 8.530 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.874 9.261 -7.499 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.088 8.819 -8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.333 7.940 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.152 8.802 -10.864 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.388 7.921 -12.662 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.805 8.356 -12.876 1.00 0.00 H new ATOM 2080 N ASP A 128 7.249 5.555 -8.317 1.00 0.00 N ATOM 2081 CA ASP A 128 8.530 4.916 -8.597 1.00 0.00 C ATOM 2082 C ASP A 128 9.257 5.598 -9.751 1.00 0.00 C ATOM 2083 O ASP A 128 8.895 5.424 -10.912 1.00 0.00 O ATOM 2084 CB ASP A 128 8.321 3.436 -8.919 1.00 0.00 C ATOM 2085 CG ASP A 128 9.538 2.593 -8.588 1.00 0.00 C ATOM 2086 OD1 ASP A 128 10.670 3.090 -8.764 1.00 0.00 O ATOM 2087 OD2 ASP A 128 9.358 1.437 -8.151 1.00 0.00 O ATOM 0 H ASP A 128 6.458 5.163 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 128 9.149 5.011 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.462 3.064 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.085 3.327 -9.977 1.00 0.00 H new ATOM 2092 N GLU A 129 10.289 6.369 -9.418 1.00 0.00 N ATOM 2093 CA GLU A 129 11.081 7.077 -10.421 1.00 0.00 C ATOM 2094 C GLU A 129 12.083 6.140 -11.094 1.00 0.00 C ATOM 2095 O GLU A 129 12.590 6.434 -12.177 1.00 0.00 O ATOM 2096 CB GLU A 129 11.825 8.251 -9.772 1.00 0.00 C ATOM 2097 CG GLU A 129 11.184 9.605 -10.031 1.00 0.00 C ATOM 2098 CD GLU A 129 12.110 10.759 -9.701 1.00 0.00 C ATOM 2099 OE1 GLU A 129 13.182 10.860 -10.334 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.763 11.563 -8.810 1.00 0.00 O ATOM 0 H GLU A 129 10.597 6.520 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 129 10.399 7.455 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.878 8.085 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.850 8.268 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.888 9.669 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.274 9.692 -9.437 1.00 0.00 H new