USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=26 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 Set 1.1: A 41 GLN : amide:sc= -2.06 K(o=-1,f=-15!) USER MOD Set 1.2: A 42 THR OG1 : rot -43:sc= 1.06 USER MOD Set 2.1: A 29 TYR OH : rot -128:sc= 1.12 USER MOD Set 2.2: A 53 SER OG : rot 110:sc= -0.318 USER MOD Single : A 8 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.9!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.57 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -0.319 (180deg=-0.42) USER MOD Single : A 14 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= -1 (180deg=-1.09) USER MOD Single : A 22 SER OG : rot 137:sc= 1.57 USER MOD Single : A 25 CYS SG : rot 63:sc= -4.55! USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -2.29 (180deg=-3.09!) USER MOD Single : A 30 THR OG1 : rot -178:sc= -4.5! USER MOD Single : A 37 HIS : no HE2:sc= -6.96! C(o=-7!,f=-7.8!) USER MOD Single : A 45 GLN : amide:sc= -3.13! C(o=-3.1!,f=-3.1!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 48 CYS SG : rot 51:sc= 0.712 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= -0.227 K(o=-0.23,f=-2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0.433 (180deg=0.301) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0669 (180deg=-0.375) USER MOD Single : A 101 MET CE :methyl 163:sc= -0.975 (180deg=-1.21) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.06 USER MOD Single : A 111 LYS NZ :NH3+ -155:sc= 0.00366 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 122 MET CE :methyl 146:sc= -1.4 (180deg=-3.66!) USER MOD Single : A 124 CYS SG : rot -161:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.343 2.295 -18.995 1.00 0.00 N ATOM 59 CA VAL A 4 2.108 3.458 -18.560 1.00 0.00 C ATOM 60 C VAL A 4 1.870 4.653 -19.479 1.00 0.00 C ATOM 61 O VAL A 4 2.045 4.563 -20.694 1.00 0.00 O ATOM 62 CB VAL A 4 3.621 3.160 -18.511 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.017 2.614 -17.147 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.021 2.194 -19.619 1.00 0.00 C ATOM 0 HA VAL A 4 1.761 3.698 -17.555 1.00 0.00 H new ATOM 0 HB VAL A 4 4.157 4.096 -18.672 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.088 2.410 -17.133 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.777 3.348 -16.378 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.470 1.692 -16.951 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.092 2.000 -19.563 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.476 1.258 -19.500 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.782 2.632 -20.588 1.00 0.00 H new ATOM 74 N VAL A 5 1.475 5.774 -18.884 1.00 0.00 N ATOM 75 CA VAL A 5 1.216 6.996 -19.636 1.00 0.00 C ATOM 76 C VAL A 5 2.508 7.777 -19.865 1.00 0.00 C ATOM 77 O VAL A 5 3.434 7.697 -19.058 1.00 0.00 O ATOM 78 CB VAL A 5 0.202 7.901 -18.910 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.153 7.215 -18.815 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.713 8.279 -17.528 1.00 0.00 C ATOM 0 H VAL A 5 1.327 5.861 -17.879 1.00 0.00 H new ATOM 0 HA VAL A 5 0.796 6.697 -20.596 1.00 0.00 H new ATOM 0 HB VAL A 5 0.082 8.816 -19.489 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.856 7.869 -18.299 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.524 7.002 -19.818 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.051 6.283 -18.260 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.018 8.918 -17.032 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.866 7.376 -16.937 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.658 8.814 -17.623 1.00 0.00 H new ATOM 90 N PRO A 6 2.588 8.545 -20.972 1.00 0.00 N ATOM 91 CA PRO A 6 3.765 9.344 -21.312 1.00 0.00 C ATOM 92 C PRO A 6 4.504 9.859 -20.079 1.00 0.00 C ATOM 93 O PRO A 6 5.717 9.693 -19.956 1.00 0.00 O ATOM 94 CB PRO A 6 3.153 10.494 -22.102 1.00 0.00 C ATOM 95 CG PRO A 6 1.987 9.883 -22.813 1.00 0.00 C ATOM 96 CD PRO A 6 1.527 8.702 -21.984 1.00 0.00 C ATOM 0 HA PRO A 6 4.519 8.775 -21.856 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.837 11.303 -21.444 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.869 10.917 -22.806 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.182 10.609 -22.928 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.272 9.562 -23.815 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.558 8.892 -21.521 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.419 7.804 -22.593 1.00 0.00 H new ATOM 104 N ASP A 7 3.759 10.461 -19.157 1.00 0.00 N ATOM 105 CA ASP A 7 4.330 10.972 -17.928 1.00 0.00 C ATOM 106 C ASP A 7 3.483 10.507 -16.749 1.00 0.00 C ATOM 107 O ASP A 7 2.540 11.177 -16.335 1.00 0.00 O ATOM 108 CB ASP A 7 4.419 12.497 -17.968 1.00 0.00 C ATOM 109 CG ASP A 7 5.472 12.988 -18.942 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.638 12.555 -18.824 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.132 13.806 -19.822 1.00 0.00 O ATOM 0 H ASP A 7 2.753 10.605 -19.244 1.00 0.00 H new ATOM 0 HA ASP A 7 5.343 10.586 -17.813 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.449 12.908 -18.248 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.648 12.871 -16.970 1.00 0.00 H new ATOM 116 N GLN A 8 3.826 9.340 -16.226 1.00 0.00 N ATOM 117 CA GLN A 8 3.101 8.760 -15.100 1.00 0.00 C ATOM 118 C GLN A 8 3.183 9.691 -13.906 1.00 0.00 C ATOM 119 O GLN A 8 2.189 9.942 -13.226 1.00 0.00 O ATOM 120 CB GLN A 8 3.644 7.369 -14.736 1.00 0.00 C ATOM 121 CG GLN A 8 5.108 7.141 -15.087 1.00 0.00 C ATOM 122 CD GLN A 8 5.608 5.783 -14.632 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.609 5.477 -13.440 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.033 4.962 -15.585 1.00 0.00 N ATOM 0 H GLN A 8 4.604 8.773 -16.563 1.00 0.00 H new ATOM 0 HA GLN A 8 2.058 8.637 -15.392 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.513 7.213 -13.665 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.042 6.616 -15.244 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.238 7.230 -16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.715 7.921 -14.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.013 5.259 -16.560 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.379 4.034 -15.342 1.00 0.00 H new ATOM 133 N ARG A 9 4.373 10.227 -13.681 1.00 0.00 N ATOM 134 CA ARG A 9 4.587 11.167 -12.596 1.00 0.00 C ATOM 135 C ARG A 9 3.820 12.445 -12.871 1.00 0.00 C ATOM 136 O ARG A 9 3.480 13.179 -11.949 1.00 0.00 O ATOM 137 CB ARG A 9 6.077 11.466 -12.429 1.00 0.00 C ATOM 138 CG ARG A 9 6.725 12.054 -13.672 1.00 0.00 C ATOM 139 CD ARG A 9 8.240 12.067 -13.556 1.00 0.00 C ATOM 140 NE ARG A 9 8.836 13.181 -14.288 1.00 0.00 N ATOM 141 CZ ARG A 9 9.030 13.184 -15.605 1.00 0.00 C ATOM 142 NH1 ARG A 9 8.675 12.136 -16.338 1.00 0.00 N ATOM 143 NH2 ARG A 9 9.581 14.239 -16.192 1.00 0.00 N ATOM 0 H ARG A 9 5.204 10.026 -14.237 1.00 0.00 H new ATOM 0 HA ARG A 9 4.224 10.724 -11.668 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.209 12.160 -11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.595 10.546 -12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.431 11.473 -14.546 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.362 13.070 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.522 12.131 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.641 11.128 -13.937 1.00 0.00 H new ATOM 0 HE ARG A 9 9.120 14.005 -13.759 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.251 11.322 -15.893 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.826 12.144 -17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.856 15.047 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.730 14.241 -17.201 1.00 0.00 H new ATOM 157 N SER A 10 3.542 12.712 -14.144 1.00 0.00 N ATOM 158 CA SER A 10 2.800 13.915 -14.506 1.00 0.00 C ATOM 159 C SER A 10 1.402 13.876 -13.908 1.00 0.00 C ATOM 160 O SER A 10 0.879 14.896 -13.459 1.00 0.00 O ATOM 161 CB SER A 10 2.715 14.082 -16.027 1.00 0.00 C ATOM 162 OG SER A 10 3.824 14.813 -16.522 1.00 0.00 O ATOM 0 H SER A 10 3.814 12.122 -14.930 1.00 0.00 H new ATOM 0 HA SER A 10 3.338 14.771 -14.100 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.680 13.102 -16.502 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.790 14.596 -16.289 1.00 0.00 H new ATOM 0 HG SER A 10 3.671 15.043 -17.462 1.00 0.00 H new ATOM 168 N LYS A 11 0.803 12.691 -13.895 1.00 0.00 N ATOM 169 CA LYS A 11 -0.531 12.528 -13.339 1.00 0.00 C ATOM 170 C LYS A 11 -0.465 12.336 -11.840 1.00 0.00 C ATOM 171 O LYS A 11 -1.265 12.897 -11.103 1.00 0.00 O ATOM 172 CB LYS A 11 -1.253 11.351 -13.998 1.00 0.00 C ATOM 173 CG LYS A 11 -2.119 11.754 -15.183 1.00 0.00 C ATOM 174 CD LYS A 11 -1.518 11.290 -16.503 1.00 0.00 C ATOM 175 CE LYS A 11 -2.397 10.250 -17.181 1.00 0.00 C ATOM 176 NZ LYS A 11 -2.315 10.338 -18.665 1.00 0.00 N ATOM 0 H LYS A 11 1.219 11.835 -14.261 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.097 13.436 -13.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.514 10.622 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.877 10.856 -13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.116 11.328 -15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.235 12.838 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.388 12.146 -17.166 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.528 10.871 -16.326 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.095 9.253 -16.859 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.431 10.387 -16.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.832 9.541 -19.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.737 11.234 -18.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.319 10.300 -18.960 1.00 0.00 H new ATOM 190 N PHE A 12 0.507 11.573 -11.382 1.00 0.00 N ATOM 191 CA PHE A 12 0.665 11.356 -9.965 1.00 0.00 C ATOM 192 C PHE A 12 1.080 12.667 -9.296 1.00 0.00 C ATOM 193 O PHE A 12 0.914 12.839 -8.089 1.00 0.00 O ATOM 194 CB PHE A 12 1.687 10.237 -9.720 1.00 0.00 C ATOM 195 CG PHE A 12 2.514 10.403 -8.480 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.595 11.262 -8.478 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.212 9.701 -7.324 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.368 11.422 -7.342 1.00 0.00 C ATOM 199 CE2 PHE A 12 2.978 9.852 -6.184 1.00 0.00 C ATOM 200 CZ PHE A 12 4.059 10.715 -6.194 1.00 0.00 C ATOM 0 H PHE A 12 1.193 11.098 -11.968 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.280 11.038 -9.525 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.157 9.286 -9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.354 10.178 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.840 11.815 -9.373 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.368 9.028 -7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.211 12.097 -7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.734 9.299 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.661 10.837 -5.306 1.00 0.00 H new ATOM 210 N GLU A 13 1.629 13.588 -10.095 1.00 0.00 N ATOM 211 CA GLU A 13 2.071 14.881 -9.574 1.00 0.00 C ATOM 212 C GLU A 13 1.060 15.998 -9.837 1.00 0.00 C ATOM 213 O GLU A 13 1.003 16.976 -9.093 1.00 0.00 O ATOM 214 CB GLU A 13 3.435 15.259 -10.168 1.00 0.00 C ATOM 215 CG GLU A 13 3.361 15.830 -11.578 1.00 0.00 C ATOM 216 CD GLU A 13 3.630 17.321 -11.618 1.00 0.00 C ATOM 217 OE1 GLU A 13 4.807 17.717 -11.480 1.00 0.00 O ATOM 218 OE2 GLU A 13 2.664 18.095 -11.789 1.00 0.00 O ATOM 0 H GLU A 13 1.776 13.462 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 13 2.159 14.772 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.914 15.990 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.073 14.375 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.084 15.317 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.374 15.631 -11.995 1.00 0.00 H new ATOM 225 N ASN A 14 0.294 15.875 -10.917 1.00 0.00 N ATOM 226 CA ASN A 14 -0.672 16.911 -11.282 1.00 0.00 C ATOM 227 C ASN A 14 -2.103 16.558 -10.879 1.00 0.00 C ATOM 228 O ASN A 14 -2.906 17.447 -10.596 1.00 0.00 O ATOM 229 CB ASN A 14 -0.614 17.173 -12.788 1.00 0.00 C ATOM 230 CG ASN A 14 -1.411 18.397 -13.194 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.869 19.164 -12.345 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.581 18.588 -14.497 1.00 0.00 N ATOM 0 H ASN A 14 0.321 15.076 -11.551 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.393 17.809 -10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.425 17.302 -13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.995 16.302 -13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.108 19.395 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.184 17.927 -15.165 1.00 0.00 H new ATOM 239 N GLU A 15 -2.428 15.272 -10.864 1.00 0.00 N ATOM 240 CA GLU A 15 -3.781 14.846 -10.503 1.00 0.00 C ATOM 241 C GLU A 15 -4.104 15.209 -9.056 1.00 0.00 C ATOM 242 O GLU A 15 -3.277 15.036 -8.163 1.00 0.00 O ATOM 243 CB GLU A 15 -3.954 13.344 -10.732 1.00 0.00 C ATOM 244 CG GLU A 15 -4.314 12.989 -12.164 1.00 0.00 C ATOM 245 CD GLU A 15 -5.730 13.392 -12.527 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.296 14.262 -11.833 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.272 12.837 -13.506 1.00 0.00 O ATOM 0 H GLU A 15 -1.787 14.513 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.482 15.376 -11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.030 12.834 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.732 12.970 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.616 13.479 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.198 11.915 -12.308 1.00 0.00 H new ATOM 254 N GLU A 16 -5.311 15.733 -8.840 1.00 0.00 N ATOM 255 CA GLU A 16 -5.751 16.149 -7.505 1.00 0.00 C ATOM 256 C GLU A 16 -5.803 14.978 -6.527 1.00 0.00 C ATOM 257 O GLU A 16 -4.952 14.872 -5.645 1.00 0.00 O ATOM 258 CB GLU A 16 -7.118 16.842 -7.572 1.00 0.00 C ATOM 259 CG GLU A 16 -8.104 16.188 -8.529 1.00 0.00 C ATOM 260 CD GLU A 16 -8.545 17.120 -9.640 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.146 18.170 -9.332 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.289 16.799 -10.820 1.00 0.00 O ATOM 0 H GLU A 16 -6.004 15.880 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.011 16.858 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.554 16.857 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.972 17.880 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.646 15.300 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.979 15.854 -7.971 1.00 0.00 H new ATOM 269 N PHE A 17 -6.790 14.096 -6.679 1.00 0.00 N ATOM 270 CA PHE A 17 -6.913 12.943 -5.794 1.00 0.00 C ATOM 271 C PHE A 17 -5.583 12.217 -5.728 1.00 0.00 C ATOM 272 O PHE A 17 -5.112 11.839 -4.657 1.00 0.00 O ATOM 273 CB PHE A 17 -8.029 12.005 -6.286 1.00 0.00 C ATOM 274 CG PHE A 17 -7.642 10.551 -6.337 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.940 10.047 -7.421 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.976 9.691 -5.302 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.579 8.714 -7.471 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.616 8.357 -5.347 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.916 7.868 -6.433 1.00 0.00 C ATOM 0 H PHE A 17 -7.509 14.158 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.181 13.281 -4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.894 12.115 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.340 12.321 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.672 10.704 -8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.524 10.068 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.033 8.334 -8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.882 7.698 -4.534 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.633 6.826 -6.470 1.00 0.00 H new ATOM 289 N PHE A 18 -4.988 12.034 -6.893 1.00 0.00 N ATOM 290 CA PHE A 18 -3.723 11.364 -7.014 1.00 0.00 C ATOM 291 C PHE A 18 -2.670 12.113 -6.203 1.00 0.00 C ATOM 292 O PHE A 18 -1.724 11.515 -5.705 1.00 0.00 O ATOM 293 CB PHE A 18 -3.363 11.357 -8.486 1.00 0.00 C ATOM 294 CG PHE A 18 -2.651 10.138 -8.940 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.594 9.598 -8.240 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.083 9.527 -10.090 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.968 8.449 -8.695 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.473 8.382 -10.556 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.411 7.840 -9.858 1.00 0.00 C ATOM 0 H PHE A 18 -5.377 12.351 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.774 10.344 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.276 11.468 -9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.741 12.226 -8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.252 10.073 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.913 9.949 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.138 8.030 -8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.824 7.911 -11.462 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.927 6.944 -10.218 1.00 0.00 H new ATOM 309 N ARG A 19 -2.860 13.427 -6.065 1.00 0.00 N ATOM 310 CA ARG A 19 -1.940 14.260 -5.299 1.00 0.00 C ATOM 311 C ARG A 19 -2.274 14.185 -3.813 1.00 0.00 C ATOM 312 O ARG A 19 -1.474 13.702 -3.007 1.00 0.00 O ATOM 313 CB ARG A 19 -2.016 15.716 -5.767 1.00 0.00 C ATOM 314 CG ARG A 19 -0.932 16.098 -6.763 1.00 0.00 C ATOM 315 CD ARG A 19 -0.207 17.367 -6.336 1.00 0.00 C ATOM 316 NE ARG A 19 -1.132 18.395 -5.866 1.00 0.00 N ATOM 317 CZ ARG A 19 -0.772 19.423 -5.101 1.00 0.00 C ATOM 318 NH1 ARG A 19 0.492 19.564 -4.718 1.00 0.00 N ATOM 319 NH2 ARG A 19 -1.676 20.313 -4.719 1.00 0.00 N ATOM 0 H ARG A 19 -3.644 13.934 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.928 13.888 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.991 15.892 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.946 16.371 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.216 15.281 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.376 16.245 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.503 17.129 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.370 17.755 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.112 18.321 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.192 18.883 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.762 20.354 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.648 20.210 -5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.400 21.101 -4.133 1.00 0.00 H new ATOM 333 N LYS A 20 -3.476 14.648 -3.452 1.00 0.00 N ATOM 334 CA LYS A 20 -3.908 14.610 -2.059 1.00 0.00 C ATOM 335 C LYS A 20 -3.692 13.214 -1.488 1.00 0.00 C ATOM 336 O LYS A 20 -3.455 13.048 -0.292 1.00 0.00 O ATOM 337 CB LYS A 20 -5.374 15.028 -1.916 1.00 0.00 C ATOM 338 CG LYS A 20 -6.301 14.377 -2.925 1.00 0.00 C ATOM 339 CD LYS A 20 -7.317 15.369 -3.476 1.00 0.00 C ATOM 340 CE LYS A 20 -8.736 14.836 -3.365 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.405 15.289 -2.114 1.00 0.00 N ATOM 0 H LYS A 20 -4.156 15.048 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.307 15.324 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.716 14.780 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.444 16.111 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.714 13.963 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.823 13.544 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.238 16.311 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.089 15.583 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.316 15.167 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.717 13.747 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.401 14.989 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.926 14.869 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.356 16.326 -2.050 1.00 0.00 H new ATOM 355 N LEU A 21 -3.739 12.213 -2.366 1.00 0.00 N ATOM 356 CA LEU A 21 -3.511 10.836 -1.955 1.00 0.00 C ATOM 357 C LEU A 21 -2.020 10.521 -2.046 1.00 0.00 C ATOM 358 O LEU A 21 -1.467 9.854 -1.173 1.00 0.00 O ATOM 359 CB LEU A 21 -4.315 9.861 -2.821 1.00 0.00 C ATOM 360 CG LEU A 21 -5.842 9.897 -2.634 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.410 8.486 -2.660 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.228 10.594 -1.334 1.00 0.00 C ATOM 0 H LEU A 21 -3.932 12.333 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.846 10.718 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.092 10.066 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.967 8.849 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.265 10.468 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.491 8.526 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.180 8.019 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.967 7.900 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.313 10.602 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.789 10.060 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.858 11.619 -1.347 1.00 0.00 H new ATOM 374 N SER A 22 -1.366 11.043 -3.092 1.00 0.00 N ATOM 375 CA SER A 22 0.075 10.847 -3.275 1.00 0.00 C ATOM 376 C SER A 22 0.848 11.344 -2.057 1.00 0.00 C ATOM 377 O SER A 22 2.039 11.071 -1.912 1.00 0.00 O ATOM 378 CB SER A 22 0.572 11.576 -4.526 1.00 0.00 C ATOM 379 OG SER A 22 1.966 11.821 -4.460 1.00 0.00 O ATOM 0 H SER A 22 -1.811 11.601 -3.820 1.00 0.00 H new ATOM 0 HA SER A 22 0.249 9.778 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.347 10.980 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.039 12.521 -4.635 1.00 0.00 H new ATOM 0 HG SER A 22 2.374 11.627 -5.330 1.00 0.00 H new ATOM 385 N ARG A 23 0.169 12.084 -1.187 1.00 0.00 N ATOM 386 CA ARG A 23 0.795 12.622 0.009 1.00 0.00 C ATOM 387 C ARG A 23 0.478 11.744 1.213 1.00 0.00 C ATOM 388 O ARG A 23 0.005 10.615 1.062 1.00 0.00 O ATOM 389 CB ARG A 23 0.301 14.049 0.253 1.00 0.00 C ATOM 390 CG ARG A 23 0.125 14.859 -1.025 1.00 0.00 C ATOM 391 CD ARG A 23 1.120 16.007 -1.109 1.00 0.00 C ATOM 392 NE ARG A 23 2.063 15.833 -2.212 1.00 0.00 N ATOM 393 CZ ARG A 23 3.125 15.030 -2.160 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.384 14.330 -1.062 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.930 14.928 -3.209 1.00 0.00 N ATOM 0 H ARG A 23 -0.817 12.324 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 23 1.876 12.637 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.651 14.010 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.007 14.563 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.250 14.206 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.890 15.254 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.581 16.946 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.669 16.081 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 23 1.899 16.357 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.768 14.405 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.199 13.717 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.736 15.464 -4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.743 14.314 -3.170 1.00 0.00 H new ATOM 409 N GLU A 24 0.758 12.257 2.405 1.00 0.00 N ATOM 410 CA GLU A 24 0.517 11.508 3.637 1.00 0.00 C ATOM 411 C GLU A 24 -0.692 12.048 4.394 1.00 0.00 C ATOM 412 O GLU A 24 -0.731 13.220 4.771 1.00 0.00 O ATOM 413 CB GLU A 24 1.754 11.554 4.538 1.00 0.00 C ATOM 414 CG GLU A 24 3.071 11.509 3.778 1.00 0.00 C ATOM 415 CD GLU A 24 4.200 10.920 4.601 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.125 9.720 4.940 1.00 0.00 O ATOM 417 OE2 GLU A 24 5.158 11.659 4.908 1.00 0.00 O ATOM 0 H GLU A 24 1.152 13.187 2.547 1.00 0.00 H new ATOM 0 HA GLU A 24 0.309 10.475 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.722 12.464 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.717 10.715 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.942 10.919 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.341 12.518 3.467 1.00 0.00 H new ATOM 424 N CYS A 25 -1.674 11.180 4.625 1.00 0.00 N ATOM 425 CA CYS A 25 -2.882 11.563 5.351 1.00 0.00 C ATOM 426 C CYS A 25 -3.476 10.381 6.107 1.00 0.00 C ATOM 427 O CYS A 25 -3.338 9.227 5.701 1.00 0.00 O ATOM 428 CB CYS A 25 -3.919 12.190 4.411 1.00 0.00 C ATOM 429 SG CYS A 25 -3.851 11.599 2.702 1.00 0.00 S ATOM 0 H CYS A 25 -1.657 10.207 4.320 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.596 12.316 6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.915 11.994 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.783 13.271 4.412 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.110 10.325 2.673 1.00 0.00 H new ATOM 435 N GLU A 26 -4.114 10.692 7.229 1.00 0.00 N ATOM 436 CA GLU A 26 -4.721 9.689 8.098 1.00 0.00 C ATOM 437 C GLU A 26 -5.480 8.610 7.327 1.00 0.00 C ATOM 438 O GLU A 26 -6.138 8.877 6.321 1.00 0.00 O ATOM 439 CB GLU A 26 -5.665 10.363 9.095 1.00 0.00 C ATOM 440 CG GLU A 26 -6.580 11.399 8.462 1.00 0.00 C ATOM 441 CD GLU A 26 -6.302 12.805 8.957 1.00 0.00 C ATOM 442 OE1 GLU A 26 -5.119 13.208 8.965 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.265 13.503 9.336 1.00 0.00 O ATOM 0 H GLU A 26 -4.226 11.649 7.563 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.903 9.195 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.274 9.600 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.074 10.841 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.461 11.369 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.617 11.141 8.676 1.00 0.00 H new ATOM 450 N ILE A 27 -5.387 7.389 7.840 1.00 0.00 N ATOM 451 CA ILE A 27 -6.066 6.236 7.253 1.00 0.00 C ATOM 452 C ILE A 27 -6.809 5.453 8.334 1.00 0.00 C ATOM 453 O ILE A 27 -6.648 5.725 9.524 1.00 0.00 O ATOM 454 CB ILE A 27 -5.080 5.297 6.534 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.006 4.805 7.507 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.445 6.004 5.347 1.00 0.00 C ATOM 457 CD1 ILE A 27 -2.999 3.872 6.870 1.00 0.00 C ATOM 0 H ILE A 27 -4.841 7.169 8.673 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.774 6.618 6.518 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.630 4.432 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.481 5.665 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.488 4.293 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.751 5.327 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.222 6.307 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.906 6.886 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.267 3.562 7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.513 2.994 6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.490 4.387 6.055 1.00 0.00 H new ATOM 469 N LYS A 28 -7.628 4.487 7.924 1.00 0.00 N ATOM 470 CA LYS A 28 -8.391 3.684 8.880 1.00 0.00 C ATOM 471 C LYS A 28 -8.802 2.343 8.279 1.00 0.00 C ATOM 472 O LYS A 28 -8.708 2.140 7.070 1.00 0.00 O ATOM 473 CB LYS A 28 -9.634 4.449 9.338 1.00 0.00 C ATOM 474 CG LYS A 28 -10.422 5.067 8.194 1.00 0.00 C ATOM 475 CD LYS A 28 -11.880 5.281 8.573 1.00 0.00 C ATOM 476 CE LYS A 28 -12.207 6.759 8.720 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.072 7.490 7.430 1.00 0.00 N ATOM 0 H LYS A 28 -7.781 4.242 6.946 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.748 3.489 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.284 3.772 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.332 5.237 10.028 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.974 6.021 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.364 4.420 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.523 4.839 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.093 4.765 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.224 6.870 9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.544 7.205 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.518 8.357 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.588 6.884 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.016 7.740 7.072 1.00 0.00 H new ATOM 491 N TYR A 29 -9.266 1.429 9.131 1.00 0.00 N ATOM 492 CA TYR A 29 -9.698 0.111 8.676 1.00 0.00 C ATOM 493 C TYR A 29 -11.186 0.100 8.339 1.00 0.00 C ATOM 494 O TYR A 29 -12.031 0.326 9.205 1.00 0.00 O ATOM 495 CB TYR A 29 -9.398 -0.951 9.733 1.00 0.00 C ATOM 496 CG TYR A 29 -8.980 -2.278 9.143 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.787 -2.399 8.443 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.777 -3.406 9.282 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.400 -3.607 7.896 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.398 -4.619 8.738 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.209 -4.713 8.046 1.00 0.00 C ATOM 502 OH TYR A 29 -7.825 -5.917 7.504 1.00 0.00 O ATOM 0 H TYR A 29 -9.352 1.578 10.136 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.139 -0.121 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.607 -0.588 10.389 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.283 -1.099 10.352 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.151 -1.534 8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.708 -3.335 9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.469 -3.684 7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.029 -5.488 8.854 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.555 -6.278 6.959 1.00 0.00 H new ATOM 512 N THR A 30 -11.498 -0.170 7.074 1.00 0.00 N ATOM 513 CA THR A 30 -12.886 -0.218 6.624 1.00 0.00 C ATOM 514 C THR A 30 -13.076 -1.262 5.524 1.00 0.00 C ATOM 515 O THR A 30 -14.036 -1.197 4.757 1.00 0.00 O ATOM 516 CB THR A 30 -13.340 1.157 6.117 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.950 1.356 4.768 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.792 2.312 6.930 1.00 0.00 C ATOM 0 H THR A 30 -10.811 -0.358 6.344 1.00 0.00 H new ATOM 0 HA THR A 30 -13.498 -0.502 7.480 1.00 0.00 H new ATOM 0 HB THR A 30 -14.426 1.149 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.224 2.251 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.154 3.253 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.125 2.220 7.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.703 2.296 6.897 1.00 0.00 H new ATOM 526 N GLY A 31 -12.161 -2.225 5.457 1.00 0.00 N ATOM 527 CA GLY A 31 -12.259 -3.267 4.450 1.00 0.00 C ATOM 528 C GLY A 31 -13.278 -4.325 4.818 1.00 0.00 C ATOM 529 O GLY A 31 -14.343 -4.414 4.205 1.00 0.00 O ATOM 0 H GLY A 31 -11.357 -2.302 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.531 -2.821 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.283 -3.735 4.318 1.00 0.00 H new ATOM 533 N PHE A 32 -12.955 -5.124 5.829 1.00 0.00 N ATOM 534 CA PHE A 32 -13.852 -6.178 6.293 1.00 0.00 C ATOM 535 C PHE A 32 -14.129 -6.015 7.781 1.00 0.00 C ATOM 536 O PHE A 32 -14.293 -6.996 8.504 1.00 0.00 O ATOM 537 CB PHE A 32 -13.263 -7.570 6.015 1.00 0.00 C ATOM 538 CG PHE A 32 -11.771 -7.586 5.813 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.231 -7.368 4.557 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.912 -7.825 6.877 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.863 -7.387 4.362 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.541 -7.845 6.687 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.017 -7.626 5.428 1.00 0.00 C ATOM 0 H PHE A 32 -12.077 -5.062 6.344 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.789 -6.090 5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.512 -8.229 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.742 -7.983 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.887 -7.181 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.318 -7.997 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.455 -7.215 3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.882 -8.032 7.522 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.948 -7.642 5.277 1.00 0.00 H new ATOM 553 N ARG A 33 -14.166 -4.767 8.235 1.00 0.00 N ATOM 554 CA ARG A 33 -14.410 -4.470 9.639 1.00 0.00 C ATOM 555 C ARG A 33 -15.902 -4.341 9.940 1.00 0.00 C ATOM 556 O ARG A 33 -16.310 -4.364 11.101 1.00 0.00 O ATOM 557 CB ARG A 33 -13.659 -3.192 10.033 1.00 0.00 C ATOM 558 CG ARG A 33 -14.548 -1.970 10.231 1.00 0.00 C ATOM 559 CD ARG A 33 -15.304 -1.606 8.964 1.00 0.00 C ATOM 560 NE ARG A 33 -16.740 -1.481 9.203 1.00 0.00 N ATOM 561 CZ ARG A 33 -17.609 -1.055 8.289 1.00 0.00 C ATOM 562 NH1 ARG A 33 -17.194 -0.716 7.074 1.00 0.00 N ATOM 563 NH2 ARG A 33 -18.896 -0.967 8.590 1.00 0.00 N ATOM 0 H ARG A 33 -14.030 -3.944 7.648 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.037 -5.303 10.235 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.110 -3.379 10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.921 -2.967 9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.259 -2.165 11.034 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.937 -1.124 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.919 -0.666 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.127 -2.368 8.204 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.097 -1.735 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.204 -0.781 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.865 -0.390 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.221 -1.226 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.562 -0.641 7.890 1.00 0.00 H new ATOM 577 N ASP A 34 -16.711 -4.203 8.896 1.00 0.00 N ATOM 578 CA ASP A 34 -18.155 -4.070 9.067 1.00 0.00 C ATOM 579 C ASP A 34 -18.710 -5.190 9.946 1.00 0.00 C ATOM 580 O ASP A 34 -19.787 -5.059 10.527 1.00 0.00 O ATOM 581 CB ASP A 34 -18.856 -4.077 7.706 1.00 0.00 C ATOM 582 CG ASP A 34 -20.185 -3.350 7.737 1.00 0.00 C ATOM 583 OD1 ASP A 34 -21.040 -3.711 8.573 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.373 -2.419 6.924 1.00 0.00 O ATOM 0 H ASP A 34 -16.395 -4.180 7.926 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.348 -3.118 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.207 -3.611 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.016 -5.107 7.388 1.00 0.00 H new ATOM 589 N ARG A 35 -17.961 -6.285 10.046 1.00 0.00 N ATOM 590 CA ARG A 35 -18.365 -7.417 10.861 1.00 0.00 C ATOM 591 C ARG A 35 -17.625 -7.346 12.222 1.00 0.00 C ATOM 592 O ARG A 35 -17.676 -6.289 12.852 1.00 0.00 O ATOM 593 CB ARG A 35 -18.133 -8.706 10.061 1.00 0.00 C ATOM 594 CG ARG A 35 -16.798 -8.747 9.326 1.00 0.00 C ATOM 595 CD ARG A 35 -16.891 -8.090 7.956 1.00 0.00 C ATOM 596 NE ARG A 35 -16.316 -8.930 6.907 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.915 -10.010 6.412 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.103 -10.387 6.868 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.324 -10.717 5.458 1.00 0.00 N ATOM 0 H ARG A 35 -17.068 -6.408 9.569 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.428 -7.400 11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.189 -9.558 10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.939 -8.822 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.038 -8.241 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.476 -9.782 9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.936 -7.883 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.373 -7.131 7.978 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.403 -8.673 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.562 -9.848 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.557 -11.216 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.411 -10.433 5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.783 -11.545 5.078 1.00 0.00 H new ATOM 613 N PRO A 36 -16.925 -8.396 12.734 1.00 0.00 N ATOM 614 CA PRO A 36 -16.237 -8.275 14.024 1.00 0.00 C ATOM 615 C PRO A 36 -14.941 -7.477 13.908 1.00 0.00 C ATOM 616 O PRO A 36 -13.852 -8.048 13.834 1.00 0.00 O ATOM 617 CB PRO A 36 -15.946 -9.721 14.412 1.00 0.00 C ATOM 618 CG PRO A 36 -15.798 -10.428 13.114 1.00 0.00 C ATOM 619 CD PRO A 36 -16.729 -9.740 12.150 1.00 0.00 C ATOM 0 HA PRO A 36 -16.837 -7.741 14.761 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.039 -9.797 15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.757 -10.144 15.005 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.768 -10.381 12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.052 -11.483 13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.296 -9.681 11.151 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.674 -10.276 12.057 1.00 0.00 H new ATOM 627 N HIS A 37 -15.067 -6.151 13.891 1.00 0.00 N ATOM 628 CA HIS A 37 -13.910 -5.266 13.781 1.00 0.00 C ATOM 629 C HIS A 37 -12.821 -5.657 14.783 1.00 0.00 C ATOM 630 O HIS A 37 -11.647 -5.784 14.426 1.00 0.00 O ATOM 631 CB HIS A 37 -14.341 -3.811 14.001 1.00 0.00 C ATOM 632 CG HIS A 37 -13.202 -2.840 14.073 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.467 -2.635 15.221 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.675 -2.009 13.138 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.540 -1.723 14.993 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.644 -1.327 13.737 1.00 0.00 N ATOM 0 H HIS A 37 -15.962 -5.665 13.952 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.495 -5.367 12.778 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -15.007 -3.514 13.191 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.916 -3.749 14.925 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.616 -3.114 16.109 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.005 -1.904 12.115 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.819 -1.362 15.711 1.00 0.00 H new ATOM 645 N GLU A 38 -13.221 -5.855 16.037 1.00 0.00 N ATOM 646 CA GLU A 38 -12.282 -6.237 17.088 1.00 0.00 C ATOM 647 C GLU A 38 -11.476 -7.468 16.679 1.00 0.00 C ATOM 648 O GLU A 38 -10.348 -7.661 17.129 1.00 0.00 O ATOM 649 CB GLU A 38 -13.029 -6.508 18.397 1.00 0.00 C ATOM 650 CG GLU A 38 -12.765 -5.465 19.472 1.00 0.00 C ATOM 651 CD GLU A 38 -13.253 -5.902 20.839 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.716 -6.895 21.373 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.172 -5.249 21.377 1.00 0.00 O ATOM 0 H GLU A 38 -14.187 -5.757 16.349 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.590 -5.409 17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.099 -6.547 18.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.740 -7.489 18.775 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.695 -5.261 19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.256 -4.532 19.196 1.00 0.00 H new ATOM 660 N GLU A 39 -12.051 -8.279 15.797 1.00 0.00 N ATOM 661 CA GLU A 39 -11.369 -9.464 15.298 1.00 0.00 C ATOM 662 C GLU A 39 -10.497 -9.057 14.134 1.00 0.00 C ATOM 663 O GLU A 39 -9.382 -9.548 13.958 1.00 0.00 O ATOM 664 CB GLU A 39 -12.374 -10.531 14.862 1.00 0.00 C ATOM 665 CG GLU A 39 -11.737 -11.875 14.551 1.00 0.00 C ATOM 666 CD GLU A 39 -12.753 -12.999 14.486 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.931 -12.718 14.183 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.370 -14.161 14.737 1.00 0.00 O ATOM 0 H GLU A 39 -12.986 -8.136 15.415 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.758 -9.894 16.092 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.116 -10.663 15.650 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.907 -10.178 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.209 -11.812 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.993 -12.106 15.314 1.00 0.00 H new ATOM 675 N ARG A 40 -11.026 -8.123 13.358 1.00 0.00 N ATOM 676 CA ARG A 40 -10.330 -7.585 12.212 1.00 0.00 C ATOM 677 C ARG A 40 -8.979 -7.025 12.632 1.00 0.00 C ATOM 678 O ARG A 40 -8.054 -6.939 11.825 1.00 0.00 O ATOM 679 CB ARG A 40 -11.187 -6.508 11.564 1.00 0.00 C ATOM 680 CG ARG A 40 -11.820 -6.963 10.261 1.00 0.00 C ATOM 681 CD ARG A 40 -12.627 -8.240 10.452 1.00 0.00 C ATOM 682 NE ARG A 40 -12.179 -9.312 9.564 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.968 -10.284 9.111 1.00 0.00 C ATOM 684 NH1 ARG A 40 -14.243 -10.342 9.476 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.478 -11.209 8.296 1.00 0.00 N ATOM 0 H ARG A 40 -11.951 -7.720 13.510 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.153 -8.379 11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.972 -6.208 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.574 -5.627 11.376 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.468 -6.176 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.042 -7.130 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.544 -8.569 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.681 -8.033 10.267 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.201 -9.315 9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.625 -9.639 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.841 -11.090 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.497 -11.175 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.082 -11.954 7.948 1.00 0.00 H new ATOM 699 N GLN A 41 -8.865 -6.669 13.911 1.00 0.00 N ATOM 700 CA GLN A 41 -7.607 -6.147 14.432 1.00 0.00 C ATOM 701 C GLN A 41 -6.525 -7.204 14.262 1.00 0.00 C ATOM 702 O GLN A 41 -5.387 -6.902 13.896 1.00 0.00 O ATOM 703 CB GLN A 41 -7.751 -5.739 15.905 1.00 0.00 C ATOM 704 CG GLN A 41 -7.746 -6.906 16.882 1.00 0.00 C ATOM 705 CD GLN A 41 -6.350 -7.266 17.352 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.664 -8.078 16.733 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.922 -6.658 18.453 1.00 0.00 N ATOM 0 H GLN A 41 -9.618 -6.732 14.596 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.328 -5.253 13.875 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.938 -5.061 16.163 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.680 -5.183 16.027 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.363 -6.655 17.745 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.201 -7.775 16.407 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.525 -5.991 18.935 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.990 -6.858 18.817 1.00 0.00 H new ATOM 716 N THR A 42 -6.913 -8.454 14.489 1.00 0.00 N ATOM 717 CA THR A 42 -6.008 -9.580 14.325 1.00 0.00 C ATOM 718 C THR A 42 -6.012 -10.010 12.869 1.00 0.00 C ATOM 719 O THR A 42 -4.990 -10.438 12.334 1.00 0.00 O ATOM 720 CB THR A 42 -6.426 -10.746 15.224 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.785 -10.282 16.513 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.341 -11.786 15.396 1.00 0.00 C ATOM 0 H THR A 42 -7.853 -8.711 14.789 1.00 0.00 H new ATOM 0 HA THR A 42 -5.002 -9.277 14.615 1.00 0.00 H new ATOM 0 HB THR A 42 -7.275 -11.209 14.721 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.139 -9.607 16.809 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.702 -12.585 16.044 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.076 -12.200 14.423 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.462 -11.324 15.845 1.00 0.00 H new ATOM 730 N ARG A 43 -7.168 -9.865 12.221 1.00 0.00 N ATOM 731 CA ARG A 43 -7.288 -10.214 10.816 1.00 0.00 C ATOM 732 C ARG A 43 -6.377 -9.317 9.986 1.00 0.00 C ATOM 733 O ARG A 43 -5.817 -9.742 8.976 1.00 0.00 O ATOM 734 CB ARG A 43 -8.739 -10.082 10.356 1.00 0.00 C ATOM 735 CG ARG A 43 -9.376 -11.411 9.993 1.00 0.00 C ATOM 736 CD ARG A 43 -10.483 -11.784 10.968 1.00 0.00 C ATOM 737 NE ARG A 43 -10.847 -13.195 10.869 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.163 -14.180 11.449 1.00 0.00 C ATOM 739 NH1 ARG A 43 -9.078 -13.912 12.165 1.00 0.00 N ATOM 740 NH2 ARG A 43 -10.564 -15.437 11.310 1.00 0.00 N ATOM 0 H ARG A 43 -8.025 -9.511 12.647 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.983 -11.251 10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.322 -9.611 11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.780 -9.419 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.782 -11.357 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.615 -12.191 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.160 -11.564 11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.361 -11.169 10.772 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.673 -13.441 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.764 -12.948 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.558 -14.670 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.396 -15.649 10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.040 -16.191 11.754 1.00 0.00 H new ATOM 754 N PHE A 44 -6.210 -8.077 10.444 1.00 0.00 N ATOM 755 CA PHE A 44 -5.348 -7.127 9.771 1.00 0.00 C ATOM 756 C PHE A 44 -3.890 -7.467 10.073 1.00 0.00 C ATOM 757 O PHE A 44 -3.081 -7.644 9.163 1.00 0.00 O ATOM 758 CB PHE A 44 -5.684 -5.707 10.231 1.00 0.00 C ATOM 759 CG PHE A 44 -4.492 -4.813 10.332 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.935 -4.256 9.198 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.925 -4.549 11.561 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.826 -3.441 9.286 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.815 -3.732 11.662 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.264 -3.177 10.522 1.00 0.00 C ATOM 0 H PHE A 44 -6.665 -7.713 11.281 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.505 -7.183 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.399 -5.268 9.535 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.175 -5.756 11.203 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.372 -4.461 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.352 -4.984 12.452 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.398 -3.010 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.379 -3.528 12.629 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.396 -2.538 10.596 1.00 0.00 H new ATOM 774 N GLN A 45 -3.571 -7.577 11.364 1.00 0.00 N ATOM 775 CA GLN A 45 -2.218 -7.922 11.788 1.00 0.00 C ATOM 776 C GLN A 45 -1.822 -9.278 11.211 1.00 0.00 C ATOM 777 O GLN A 45 -0.649 -9.535 10.939 1.00 0.00 O ATOM 778 CB GLN A 45 -2.129 -7.952 13.318 1.00 0.00 C ATOM 779 CG GLN A 45 -1.251 -6.855 13.897 1.00 0.00 C ATOM 780 CD GLN A 45 -0.645 -7.238 15.232 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.552 -7.059 15.458 1.00 0.00 O ATOM 782 NE2 GLN A 45 -1.470 -7.772 16.126 1.00 0.00 N ATOM 0 H GLN A 45 -4.230 -7.432 12.129 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.530 -7.163 11.416 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.132 -7.861 13.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.741 -8.921 13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.452 -6.624 13.192 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.842 -5.947 14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.455 -7.902 15.897 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.118 -8.052 17.042 1.00 0.00 H new ATOM 791 N ASN A 46 -2.824 -10.127 11.005 1.00 0.00 N ATOM 792 CA ASN A 46 -2.612 -11.450 10.431 1.00 0.00 C ATOM 793 C ASN A 46 -2.488 -11.325 8.920 1.00 0.00 C ATOM 794 O ASN A 46 -1.826 -12.128 8.264 1.00 0.00 O ATOM 795 CB ASN A 46 -3.767 -12.385 10.793 1.00 0.00 C ATOM 796 CG ASN A 46 -3.487 -13.824 10.406 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.740 -14.236 9.273 1.00 0.00 O ATOM 798 ND2 ASN A 46 -2.962 -14.599 11.349 1.00 0.00 N ATOM 0 H ASN A 46 -3.797 -9.919 11.229 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.694 -11.874 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.954 -12.330 11.865 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.675 -12.047 10.294 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.753 -15.577 11.147 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.768 -14.216 12.274 1.00 0.00 H new ATOM 805 N ALA A 47 -3.106 -10.278 8.385 1.00 0.00 N ATOM 806 CA ALA A 47 -3.044 -9.995 6.966 1.00 0.00 C ATOM 807 C ALA A 47 -1.642 -9.521 6.634 1.00 0.00 C ATOM 808 O ALA A 47 -1.125 -9.769 5.545 1.00 0.00 O ATOM 809 CB ALA A 47 -4.079 -8.945 6.584 1.00 0.00 C ATOM 0 H ALA A 47 -3.658 -9.610 8.922 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.270 -10.896 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.017 -8.746 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.076 -9.311 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.885 -8.025 7.136 1.00 0.00 H new ATOM 815 N CYS A 48 -1.015 -8.871 7.615 1.00 0.00 N ATOM 816 CA CYS A 48 0.352 -8.401 7.459 1.00 0.00 C ATOM 817 C CYS A 48 1.274 -9.601 7.323 1.00 0.00 C ATOM 818 O CYS A 48 2.379 -9.496 6.792 1.00 0.00 O ATOM 819 CB CYS A 48 0.768 -7.546 8.658 1.00 0.00 C ATOM 820 SG CYS A 48 -0.371 -6.193 9.030 1.00 0.00 S ATOM 0 H CYS A 48 -1.434 -8.661 8.521 1.00 0.00 H new ATOM 0 HA CYS A 48 0.421 -7.782 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.853 -8.187 9.536 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.758 -7.132 8.469 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.585 -6.653 9.096 1.00 0.00 H new ATOM 826 N ARG A 49 0.794 -10.755 7.790 1.00 0.00 N ATOM 827 CA ARG A 49 1.563 -11.988 7.699 1.00 0.00 C ATOM 828 C ARG A 49 1.473 -12.542 6.278 1.00 0.00 C ATOM 829 O ARG A 49 2.409 -13.170 5.782 1.00 0.00 O ATOM 830 CB ARG A 49 1.061 -13.013 8.729 1.00 0.00 C ATOM 831 CG ARG A 49 0.973 -14.441 8.206 1.00 0.00 C ATOM 832 CD ARG A 49 0.448 -15.396 9.265 1.00 0.00 C ATOM 833 NE ARG A 49 -0.823 -16.003 8.869 1.00 0.00 N ATOM 834 CZ ARG A 49 -1.127 -17.288 9.042 1.00 0.00 C ATOM 835 NH1 ARG A 49 -0.261 -18.117 9.615 1.00 0.00 N ATOM 836 NH2 ARG A 49 -2.304 -17.747 8.643 1.00 0.00 N ATOM 0 H ARG A 49 -0.119 -10.857 8.232 1.00 0.00 H new ATOM 0 HA ARG A 49 2.609 -11.779 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.725 -12.996 9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.075 -12.706 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.320 -14.470 7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.959 -14.769 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.184 -16.179 9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.317 -14.860 10.205 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.522 -15.403 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.646 -17.771 9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.504 -19.099 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.975 -17.117 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.539 -18.731 8.774 1.00 0.00 H new ATOM 850 N ASP A 50 0.339 -12.289 5.627 1.00 0.00 N ATOM 851 CA ASP A 50 0.120 -12.741 4.260 1.00 0.00 C ATOM 852 C ASP A 50 0.514 -11.656 3.257 1.00 0.00 C ATOM 853 O ASP A 50 0.350 -11.825 2.049 1.00 0.00 O ATOM 854 CB ASP A 50 -1.347 -13.129 4.057 1.00 0.00 C ATOM 855 CG ASP A 50 -1.713 -14.408 4.785 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.846 -14.366 6.026 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.866 -15.449 4.115 1.00 0.00 O ATOM 0 H ASP A 50 -0.443 -11.771 6.028 1.00 0.00 H new ATOM 0 HA ASP A 50 0.748 -13.615 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.986 -12.319 4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.544 -13.251 2.992 1.00 0.00 H new ATOM 862 N GLY A 51 1.041 -10.543 3.768 1.00 0.00 N ATOM 863 CA GLY A 51 1.458 -9.450 2.909 1.00 0.00 C ATOM 864 C GLY A 51 0.307 -8.806 2.164 1.00 0.00 C ATOM 865 O GLY A 51 0.499 -8.256 1.081 1.00 0.00 O ATOM 0 H GLY A 51 1.186 -10.381 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.961 -8.694 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.187 -9.820 2.188 1.00 0.00 H new ATOM 869 N ARG A 52 -0.889 -8.867 2.738 1.00 0.00 N ATOM 870 CA ARG A 52 -2.059 -8.273 2.108 1.00 0.00 C ATOM 871 C ARG A 52 -3.069 -7.783 3.129 1.00 0.00 C ATOM 872 O ARG A 52 -3.496 -8.525 4.011 1.00 0.00 O ATOM 873 CB ARG A 52 -2.720 -9.282 1.181 1.00 0.00 C ATOM 874 CG ARG A 52 -2.049 -9.344 -0.168 1.00 0.00 C ATOM 875 CD ARG A 52 -1.494 -10.731 -0.454 1.00 0.00 C ATOM 876 NE ARG A 52 -1.234 -10.936 -1.877 1.00 0.00 N ATOM 877 CZ ARG A 52 -1.101 -12.134 -2.442 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.199 -13.237 -1.709 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.870 -12.230 -3.744 1.00 0.00 N ATOM 0 H ARG A 52 -1.072 -9.319 3.634 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.718 -7.410 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.694 -10.269 1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.770 -9.019 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.764 -9.071 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.241 -8.613 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.571 -10.874 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.200 -11.483 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.149 -10.112 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.377 -13.169 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.096 -14.152 -2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.794 -11.386 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.768 -13.148 -4.178 1.00 0.00 H new ATOM 893 N SER A 53 -3.462 -6.529 2.976 1.00 0.00 N ATOM 894 CA SER A 53 -4.447 -5.915 3.860 1.00 0.00 C ATOM 895 C SER A 53 -5.337 -4.942 3.093 1.00 0.00 C ATOM 896 O SER A 53 -4.948 -4.416 2.046 1.00 0.00 O ATOM 897 CB SER A 53 -3.766 -5.197 5.025 1.00 0.00 C ATOM 898 OG SER A 53 -4.544 -5.296 6.206 1.00 0.00 O ATOM 0 H SER A 53 -3.113 -5.911 2.244 1.00 0.00 H new ATOM 0 HA SER A 53 -5.071 -6.713 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.780 -5.629 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.614 -4.148 4.772 1.00 0.00 H new ATOM 0 HG SER A 53 -4.094 -5.886 6.846 1.00 0.00 H new ATOM 904 N GLU A 54 -6.519 -4.689 3.636 1.00 0.00 N ATOM 905 CA GLU A 54 -7.461 -3.758 3.031 1.00 0.00 C ATOM 906 C GLU A 54 -7.607 -2.537 3.929 1.00 0.00 C ATOM 907 O GLU A 54 -8.275 -2.593 4.962 1.00 0.00 O ATOM 908 CB GLU A 54 -8.820 -4.429 2.819 1.00 0.00 C ATOM 909 CG GLU A 54 -9.423 -4.166 1.449 1.00 0.00 C ATOM 910 CD GLU A 54 -10.077 -5.397 0.853 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.523 -6.504 1.021 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.142 -5.255 0.218 1.00 0.00 O ATOM 0 H GLU A 54 -6.850 -5.118 4.500 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.082 -3.448 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.710 -5.505 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.512 -4.078 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.162 -3.369 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.643 -3.811 0.775 1.00 0.00 H new ATOM 919 N ILE A 55 -6.958 -1.445 3.549 1.00 0.00 N ATOM 920 CA ILE A 55 -6.998 -0.226 4.348 1.00 0.00 C ATOM 921 C ILE A 55 -7.781 0.885 3.664 1.00 0.00 C ATOM 922 O ILE A 55 -7.654 1.106 2.459 1.00 0.00 O ATOM 923 CB ILE A 55 -5.579 0.298 4.677 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.560 -0.174 3.631 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.162 -0.137 6.073 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.164 -1.631 3.771 1.00 0.00 C ATOM 0 H ILE A 55 -6.400 -1.377 2.698 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.504 -0.500 5.273 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.604 1.387 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.976 -0.015 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.665 0.444 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.162 0.240 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.865 0.262 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.159 -1.226 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.442 -1.888 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.717 -1.794 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.048 -2.260 3.666 1.00 0.00 H new ATOM 938 N ALA A 56 -8.570 1.599 4.458 1.00 0.00 N ATOM 939 CA ALA A 56 -9.360 2.714 3.961 1.00 0.00 C ATOM 940 C ALA A 56 -8.552 3.998 4.061 1.00 0.00 C ATOM 941 O ALA A 56 -7.642 4.102 4.883 1.00 0.00 O ATOM 942 CB ALA A 56 -10.659 2.836 4.743 1.00 0.00 C ATOM 0 H ALA A 56 -8.679 1.422 5.457 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.610 2.535 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.238 3.675 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.236 1.918 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.435 3.003 5.797 1.00 0.00 H new ATOM 948 N PHE A 57 -8.867 4.968 3.216 1.00 0.00 N ATOM 949 CA PHE A 57 -8.138 6.226 3.219 1.00 0.00 C ATOM 950 C PHE A 57 -9.034 7.360 3.720 1.00 0.00 C ATOM 951 O PHE A 57 -10.111 7.593 3.172 1.00 0.00 O ATOM 952 CB PHE A 57 -7.641 6.522 1.804 1.00 0.00 C ATOM 953 CG PHE A 57 -6.337 7.267 1.744 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.847 7.947 2.847 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.592 7.270 0.576 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.641 8.615 2.785 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.386 7.934 0.507 1.00 0.00 C ATOM 958 CZ PHE A 57 -3.909 8.610 1.612 1.00 0.00 C ATOM 0 H PHE A 57 -9.616 4.909 2.526 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.284 6.148 3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.532 5.580 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.401 7.102 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.415 7.954 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.961 6.745 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.269 9.141 3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.815 7.925 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.966 9.134 1.560 1.00 0.00 H new ATOM 968 N VAL A 58 -8.593 8.054 4.766 1.00 0.00 N ATOM 969 CA VAL A 58 -9.373 9.150 5.335 1.00 0.00 C ATOM 970 C VAL A 58 -9.295 10.402 4.468 1.00 0.00 C ATOM 971 O VAL A 58 -10.163 11.272 4.541 1.00 0.00 O ATOM 972 CB VAL A 58 -8.907 9.503 6.762 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.891 10.457 7.422 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.732 8.244 7.601 1.00 0.00 C ATOM 0 H VAL A 58 -7.704 7.878 5.235 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.405 8.802 5.373 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.939 10.000 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.547 10.696 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.959 11.373 6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.873 9.987 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.403 8.518 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.682 7.713 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.986 7.599 7.138 1.00 0.00 H new ATOM 984 N ALA A 59 -8.254 10.490 3.646 1.00 0.00 N ATOM 985 CA ALA A 59 -8.068 11.641 2.767 1.00 0.00 C ATOM 986 C ALA A 59 -9.336 11.944 1.973 1.00 0.00 C ATOM 987 O ALA A 59 -9.809 13.079 1.952 1.00 0.00 O ATOM 988 CB ALA A 59 -6.899 11.398 1.823 1.00 0.00 C ATOM 0 H ALA A 59 -7.527 9.779 3.570 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.848 12.508 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.770 12.263 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.989 11.242 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.099 10.515 1.216 1.00 0.00 H new ATOM 994 N THR A 60 -9.881 10.921 1.322 1.00 0.00 N ATOM 995 CA THR A 60 -11.093 11.081 0.528 1.00 0.00 C ATOM 996 C THR A 60 -12.030 9.885 0.696 1.00 0.00 C ATOM 997 O THR A 60 -12.948 9.691 -0.101 1.00 0.00 O ATOM 998 CB THR A 60 -10.739 11.256 -0.949 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.128 10.086 -1.462 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.797 12.414 -1.205 1.00 0.00 C ATOM 0 H THR A 60 -9.503 9.974 1.329 1.00 0.00 H new ATOM 0 HA THR A 60 -11.609 11.972 0.885 1.00 0.00 H new ATOM 0 HB THR A 60 -11.686 11.459 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.911 10.218 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.586 12.483 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.259 13.341 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.866 12.253 -0.661 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.797 9.086 1.734 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.634 7.923 1.973 1.00 0.00 C ATOM 1010 C GLY A 61 -12.586 6.932 0.827 1.00 0.00 C ATOM 1011 O GLY A 61 -13.611 6.629 0.218 1.00 0.00 O ATOM 0 H GLY A 61 -11.047 9.222 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.313 7.430 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.664 8.245 2.128 1.00 0.00 H new ATOM 1015 N THR A 62 -11.391 6.431 0.531 1.00 0.00 N ATOM 1016 CA THR A 62 -11.210 5.473 -0.552 1.00 0.00 C ATOM 1017 C THR A 62 -10.644 4.155 -0.032 1.00 0.00 C ATOM 1018 O THR A 62 -9.607 4.132 0.631 1.00 0.00 O ATOM 1019 CB THR A 62 -10.282 6.053 -1.623 1.00 0.00 C ATOM 1020 OG1 THR A 62 -9.995 5.084 -2.615 1.00 0.00 O ATOM 1021 CG2 THR A 62 -8.963 6.548 -1.069 1.00 0.00 C ATOM 0 H THR A 62 -10.533 6.673 1.027 1.00 0.00 H new ATOM 0 HA THR A 62 -12.187 5.275 -0.993 1.00 0.00 H new ATOM 0 HB THR A 62 -10.821 6.902 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.402 5.474 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.354 6.946 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.148 7.333 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.436 5.722 -0.591 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.326 3.057 -0.345 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.884 1.733 0.083 1.00 0.00 C ATOM 1031 C ASN A 63 -9.774 1.233 -0.832 1.00 0.00 C ATOM 1032 O ASN A 63 -9.808 1.463 -2.041 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.055 0.750 0.074 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.836 -0.417 1.018 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.895 -0.420 1.811 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.708 -1.416 0.936 1.00 0.00 N ATOM 0 H ASN A 63 -12.186 3.058 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.500 1.806 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.969 1.274 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.202 0.373 -0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.612 -2.228 1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.473 -1.371 0.263 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.777 0.566 -0.256 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.658 0.066 -1.044 1.00 0.00 C ATOM 1045 C LEU A 64 -7.165 -1.294 -0.561 1.00 0.00 C ATOM 1046 O LEU A 64 -6.946 -1.505 0.633 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.498 1.061 -0.995 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.848 2.494 -1.410 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.713 3.442 -0.229 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.962 2.945 -2.563 1.00 0.00 C ATOM 0 H LEU A 64 -8.722 0.362 0.742 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.019 -0.051 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.100 1.081 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.701 0.697 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.885 2.512 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.966 4.454 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.389 3.130 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.687 3.422 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.224 3.965 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.917 2.911 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.110 2.283 -3.416 1.00 0.00 H new ATOM 1062 N SER A 65 -6.950 -2.195 -1.512 1.00 0.00 N ATOM 1063 CA SER A 65 -6.431 -3.524 -1.222 1.00 0.00 C ATOM 1064 C SER A 65 -5.007 -3.605 -1.753 1.00 0.00 C ATOM 1065 O SER A 65 -4.791 -3.621 -2.965 1.00 0.00 O ATOM 1066 CB SER A 65 -7.304 -4.604 -1.867 1.00 0.00 C ATOM 1067 OG SER A 65 -8.657 -4.188 -1.942 1.00 0.00 O ATOM 0 H SER A 65 -7.130 -2.025 -2.502 1.00 0.00 H new ATOM 0 HA SER A 65 -6.441 -3.695 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.933 -4.827 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.235 -5.525 -1.289 1.00 0.00 H new ATOM 0 HG SER A 65 -9.194 -4.894 -2.359 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.033 -3.594 -0.851 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.633 -3.601 -1.260 1.00 0.00 C ATOM 1075 C LEU A 66 -1.922 -4.915 -0.968 1.00 0.00 C ATOM 1076 O LEU A 66 -2.242 -5.621 -0.013 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.892 -2.463 -0.566 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.096 -1.084 -1.193 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -2.525 -0.075 -0.138 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.826 -0.630 -1.891 1.00 0.00 C ATOM 0 H LEU A 66 -4.183 -3.580 0.158 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.625 -3.470 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.211 -2.423 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.826 -2.691 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.890 -1.153 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.665 0.901 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.462 -0.399 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.756 -0.003 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.985 0.353 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.013 -0.575 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.567 -1.342 -2.674 1.00 0.00 H new ATOM 1092 N GLN A 67 -0.922 -5.205 -1.798 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.105 -6.399 -1.648 1.00 0.00 C ATOM 1094 C GLN A 67 1.323 -5.988 -1.306 1.00 0.00 C ATOM 1095 O GLN A 67 2.066 -5.510 -2.163 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.123 -7.230 -2.933 1.00 0.00 C ATOM 1097 CG GLN A 67 -1.519 -7.470 -3.485 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.534 -7.590 -4.997 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.672 -6.596 -5.709 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -1.391 -8.813 -5.496 1.00 0.00 N ATOM 0 H GLN A 67 -0.659 -4.618 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.511 -7.012 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.476 -6.725 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.352 -8.192 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.927 -8.381 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.171 -6.651 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.279 -9.610 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.393 -8.955 -6.506 1.00 0.00 H new ATOM 1109 N PHE A 68 1.687 -6.156 -0.043 1.00 0.00 N ATOM 1110 CA PHE A 68 3.015 -5.782 0.435 1.00 0.00 C ATOM 1111 C PHE A 68 3.890 -6.976 0.787 1.00 0.00 C ATOM 1112 O PHE A 68 3.625 -7.724 1.728 1.00 0.00 O ATOM 1113 CB PHE A 68 2.912 -4.804 1.610 1.00 0.00 C ATOM 1114 CG PHE A 68 1.552 -4.755 2.242 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.998 -5.859 2.872 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.819 -3.583 2.176 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.265 -5.785 3.428 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.440 -3.504 2.724 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.983 -4.605 3.352 1.00 0.00 C ATOM 0 H PHE A 68 1.079 -6.551 0.675 1.00 0.00 H new ATOM 0 HA PHE A 68 3.513 -5.283 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.644 -5.083 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.177 -3.805 1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.557 -6.782 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.242 -2.718 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.691 -6.647 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.001 -2.583 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.971 -4.546 3.785 1.00 0.00 H new ATOM 1129 N PHE A 69 4.953 -7.106 0.006 1.00 0.00 N ATOM 1130 CA PHE A 69 5.946 -8.160 0.167 1.00 0.00 C ATOM 1131 C PHE A 69 7.247 -7.742 -0.514 1.00 0.00 C ATOM 1132 O PHE A 69 7.221 -7.019 -1.510 1.00 0.00 O ATOM 1133 CB PHE A 69 5.447 -9.478 -0.431 1.00 0.00 C ATOM 1134 CG PHE A 69 4.702 -10.349 0.542 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.127 -10.472 1.856 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.579 -11.053 0.137 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.445 -11.277 2.747 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.893 -11.860 1.024 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.328 -11.972 2.332 1.00 0.00 C ATOM 0 H PHE A 69 5.153 -6.473 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 69 6.121 -8.313 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.796 -9.258 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.300 -10.034 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.002 -9.932 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.236 -10.970 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.786 -11.362 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.018 -12.403 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.794 -12.603 3.027 1.00 0.00 H new ATOM 1149 N PRO A 70 8.404 -8.190 -0.005 1.00 0.00 N ATOM 1150 CA PRO A 70 9.696 -7.844 -0.600 1.00 0.00 C ATOM 1151 C PRO A 70 9.749 -8.202 -2.081 1.00 0.00 C ATOM 1152 O PRO A 70 9.798 -9.375 -2.442 1.00 0.00 O ATOM 1153 CB PRO A 70 10.697 -8.689 0.191 1.00 0.00 C ATOM 1154 CG PRO A 70 10.015 -8.980 1.485 1.00 0.00 C ATOM 1155 CD PRO A 70 8.546 -9.062 1.173 1.00 0.00 C ATOM 0 HA PRO A 70 9.898 -6.774 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.945 -9.608 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.631 -8.150 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.375 -9.915 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.215 -8.196 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.237 -10.085 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.937 -8.714 2.007 1.00 0.00 H new ATOM 1163 N ALA A 71 9.730 -7.179 -2.931 1.00 0.00 N ATOM 1164 CA ALA A 71 9.765 -7.377 -4.379 1.00 0.00 C ATOM 1165 C ALA A 71 11.040 -8.087 -4.829 1.00 0.00 C ATOM 1166 O ALA A 71 11.125 -8.570 -5.958 1.00 0.00 O ATOM 1167 CB ALA A 71 9.618 -6.043 -5.096 1.00 0.00 C ATOM 0 H ALA A 71 9.690 -6.202 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 71 8.925 -8.020 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.646 -6.204 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.667 -5.585 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.435 -5.382 -4.807 1.00 0.00 H new ATOM 1173 N SER A 72 12.027 -8.142 -3.947 1.00 0.00 N ATOM 1174 CA SER A 72 13.297 -8.787 -4.250 1.00 0.00 C ATOM 1175 C SER A 72 13.121 -10.273 -4.545 1.00 0.00 C ATOM 1176 O SER A 72 13.936 -10.876 -5.245 1.00 0.00 O ATOM 1177 CB SER A 72 14.245 -8.610 -3.071 1.00 0.00 C ATOM 1178 OG SER A 72 15.598 -8.684 -3.482 1.00 0.00 O ATOM 0 H SER A 72 11.972 -7.745 -3.009 1.00 0.00 H new ATOM 0 HA SER A 72 13.710 -8.317 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.060 -7.647 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.047 -9.379 -2.324 1.00 0.00 H new ATOM 0 HG SER A 72 16.183 -8.565 -2.705 1.00 0.00 H new ATOM 1319 N PRO A 81 6.323 -12.082 5.964 1.00 0.00 N ATOM 1320 CA PRO A 81 6.118 -10.678 6.316 1.00 0.00 C ATOM 1321 C PRO A 81 7.419 -10.002 6.723 1.00 0.00 C ATOM 1322 O PRO A 81 7.701 -9.837 7.911 1.00 0.00 O ATOM 1323 CB PRO A 81 5.167 -10.767 7.503 1.00 0.00 C ATOM 1324 CG PRO A 81 5.557 -12.032 8.183 1.00 0.00 C ATOM 1325 CD PRO A 81 5.985 -12.980 7.087 1.00 0.00 C ATOM 0 HA PRO A 81 5.735 -10.085 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.274 -9.908 8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.126 -10.792 7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.369 -11.861 8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.722 -12.443 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.841 -13.583 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.186 -13.672 6.821 1.00 0.00 H new ATOM 1333 N SER A 82 8.218 -9.619 5.734 1.00 0.00 N ATOM 1334 CA SER A 82 9.494 -8.971 5.998 1.00 0.00 C ATOM 1335 C SER A 82 9.290 -7.543 6.483 1.00 0.00 C ATOM 1336 O SER A 82 8.434 -6.818 5.977 1.00 0.00 O ATOM 1337 CB SER A 82 10.364 -8.980 4.739 1.00 0.00 C ATOM 1338 OG SER A 82 11.499 -9.809 4.910 1.00 0.00 O ATOM 0 H SER A 82 8.004 -9.746 4.745 1.00 0.00 H new ATOM 0 HA SER A 82 10.001 -9.530 6.784 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.777 -9.332 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.683 -7.964 4.507 1.00 0.00 H new ATOM 0 HG SER A 82 12.038 -9.799 4.091 1.00 0.00 H new ATOM 1344 N ARG A 83 10.099 -7.142 7.456 1.00 0.00 N ATOM 1345 CA ARG A 83 10.039 -5.805 8.014 1.00 0.00 C ATOM 1346 C ARG A 83 10.483 -4.766 6.977 1.00 0.00 C ATOM 1347 O ARG A 83 10.392 -3.562 7.213 1.00 0.00 O ATOM 1348 CB ARG A 83 10.918 -5.770 9.263 1.00 0.00 C ATOM 1349 CG ARG A 83 11.377 -4.389 9.661 1.00 0.00 C ATOM 1350 CD ARG A 83 11.561 -4.289 11.164 1.00 0.00 C ATOM 1351 NE ARG A 83 12.792 -3.587 11.521 1.00 0.00 N ATOM 1352 CZ ARG A 83 13.365 -3.658 12.721 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.824 -4.397 13.681 1.00 0.00 N ATOM 1354 NH2 ARG A 83 14.485 -2.988 12.961 1.00 0.00 N ATOM 0 H ARG A 83 10.813 -7.737 7.877 1.00 0.00 H new ATOM 0 HA ARG A 83 9.015 -5.554 8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.366 -6.210 10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.794 -6.397 9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.316 -4.156 9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.647 -3.650 9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.708 -3.769 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.577 -5.290 11.594 1.00 0.00 H new ATOM 0 HE ARG A 83 13.239 -3.009 10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.964 -4.915 13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.268 -4.447 14.598 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.906 -2.419 12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.925 -3.042 13.880 1.00 0.00 H new ATOM 1368 N GLU A 84 10.941 -5.240 5.816 1.00 0.00 N ATOM 1369 CA GLU A 84 11.368 -4.355 4.740 1.00 0.00 C ATOM 1370 C GLU A 84 10.156 -3.695 4.120 1.00 0.00 C ATOM 1371 O GLU A 84 10.159 -2.501 3.823 1.00 0.00 O ATOM 1372 CB GLU A 84 12.144 -5.138 3.679 1.00 0.00 C ATOM 1373 CG GLU A 84 13.638 -5.212 3.950 1.00 0.00 C ATOM 1374 CD GLU A 84 14.261 -6.494 3.433 1.00 0.00 C ATOM 1375 OE1 GLU A 84 14.094 -6.793 2.232 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.916 -7.199 4.230 1.00 0.00 O ATOM 0 H GLU A 84 11.024 -6.234 5.601 1.00 0.00 H new ATOM 0 HA GLU A 84 12.027 -3.589 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.743 -6.150 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.982 -4.674 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.131 -4.359 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.813 -5.134 5.023 1.00 0.00 H new ATOM 1383 N TYR A 85 9.113 -4.491 3.934 1.00 0.00 N ATOM 1384 CA TYR A 85 7.876 -4.004 3.359 1.00 0.00 C ATOM 1385 C TYR A 85 6.784 -3.999 4.415 1.00 0.00 C ATOM 1386 O TYR A 85 6.032 -3.037 4.537 1.00 0.00 O ATOM 1387 CB TYR A 85 7.475 -4.863 2.165 1.00 0.00 C ATOM 1388 CG TYR A 85 8.322 -4.603 0.939 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.702 -4.441 1.042 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.743 -4.517 -0.318 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.474 -4.201 -0.077 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.511 -4.278 -1.442 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.875 -4.122 -1.317 1.00 0.00 C ATOM 1394 OH TYR A 85 10.642 -3.883 -2.434 1.00 0.00 O ATOM 0 H TYR A 85 9.103 -5.482 4.176 1.00 0.00 H new ATOM 0 HA TYR A 85 8.022 -2.983 3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.555 -5.915 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.429 -4.675 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.174 -4.504 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.675 -4.639 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.542 -4.076 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.045 -4.214 -2.414 1.00 0.00 H new ATOM 0 HH TYR A 85 10.067 -3.858 -3.227 1.00 0.00 H new ATOM 1404 N VAL A 86 6.726 -5.068 5.205 1.00 0.00 N ATOM 1405 CA VAL A 86 5.749 -5.164 6.277 1.00 0.00 C ATOM 1406 C VAL A 86 6.443 -5.384 7.613 1.00 0.00 C ATOM 1407 O VAL A 86 6.983 -6.456 7.882 1.00 0.00 O ATOM 1408 CB VAL A 86 4.725 -6.293 6.057 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.511 -5.771 5.309 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.341 -7.473 5.324 1.00 0.00 C ATOM 0 H VAL A 86 7.343 -5.876 5.121 1.00 0.00 H new ATOM 0 HA VAL A 86 5.209 -4.217 6.280 1.00 0.00 H new ATOM 0 HB VAL A 86 4.406 -6.647 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.798 -6.582 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.042 -4.975 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.821 -5.381 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.588 -8.249 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.706 -7.146 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.171 -7.871 5.908 1.00 0.00 H new ATOM 1420 N ASP A 87 6.425 -4.353 8.437 1.00 0.00 N ATOM 1421 CA ASP A 87 7.054 -4.399 9.747 1.00 0.00 C ATOM 1422 C ASP A 87 6.060 -4.823 10.818 1.00 0.00 C ATOM 1423 O ASP A 87 5.005 -4.211 10.984 1.00 0.00 O ATOM 1424 CB ASP A 87 7.640 -3.027 10.089 1.00 0.00 C ATOM 1425 CG ASP A 87 8.428 -3.029 11.383 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.216 -3.943 12.207 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.258 -2.116 11.570 1.00 0.00 O ATOM 0 H ASP A 87 5.976 -3.463 8.220 1.00 0.00 H new ATOM 0 HA ASP A 87 7.854 -5.138 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.288 -2.701 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.831 -2.300 10.163 1.00 0.00 H new ATOM 1515 N GLY A 93 4.731 1.092 17.845 1.00 0.00 N ATOM 1516 CA GLY A 93 3.489 0.817 18.546 1.00 0.00 C ATOM 1517 C GLY A 93 2.429 0.297 17.598 1.00 0.00 C ATOM 1518 O GLY A 93 1.577 -0.506 17.976 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.667 0.085 19.333 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.133 1.726 19.031 1.00 0.00 H new ATOM 1522 N LYS A 94 2.505 0.755 16.353 1.00 0.00 N ATOM 1523 CA LYS A 94 1.581 0.341 15.308 1.00 0.00 C ATOM 1524 C LYS A 94 2.359 -0.413 14.237 1.00 0.00 C ATOM 1525 O LYS A 94 3.580 -0.542 14.333 1.00 0.00 O ATOM 1526 CB LYS A 94 0.873 1.555 14.688 1.00 0.00 C ATOM 1527 CG LYS A 94 0.905 2.805 15.557 1.00 0.00 C ATOM 1528 CD LYS A 94 2.075 3.707 15.192 1.00 0.00 C ATOM 1529 CE LYS A 94 2.232 4.846 16.187 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.214 6.176 15.516 1.00 0.00 N ATOM 0 H LYS A 94 3.210 1.424 16.042 1.00 0.00 H new ATOM 0 HA LYS A 94 0.818 -0.305 15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.337 1.781 13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.165 1.292 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.029 3.354 15.441 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.978 2.519 16.606 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.993 3.120 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.924 4.114 14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.429 4.799 16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.169 4.726 16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.967 6.911 16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.154 6.377 15.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.509 6.170 14.752 1.00 0.00 H new ATOM 1544 N VAL A 95 1.669 -0.914 13.222 1.00 0.00 N ATOM 1545 CA VAL A 95 2.338 -1.653 12.155 1.00 0.00 C ATOM 1546 C VAL A 95 2.154 -0.974 10.802 1.00 0.00 C ATOM 1547 O VAL A 95 1.029 -0.737 10.363 1.00 0.00 O ATOM 1548 CB VAL A 95 1.830 -3.112 12.070 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.320 -3.168 12.241 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.251 -3.760 10.755 1.00 0.00 C ATOM 0 H VAL A 95 0.659 -0.825 13.113 1.00 0.00 H new ATOM 0 HA VAL A 95 3.400 -1.663 12.402 1.00 0.00 H new ATOM 0 HB VAL A 95 2.285 -3.676 12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.015 -4.203 12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.048 -2.757 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.157 -2.583 11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.882 -4.785 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.834 -3.195 9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.339 -3.764 10.683 1.00 0.00 H new ATOM 1560 N TYR A 96 3.271 -0.689 10.133 1.00 0.00 N ATOM 1561 CA TYR A 96 3.229 -0.068 8.813 1.00 0.00 C ATOM 1562 C TYR A 96 3.692 -1.026 7.724 1.00 0.00 C ATOM 1563 O TYR A 96 4.483 -1.937 7.970 1.00 0.00 O ATOM 1564 CB TYR A 96 4.024 1.246 8.737 1.00 0.00 C ATOM 1565 CG TYR A 96 5.057 1.488 9.825 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.919 0.491 10.280 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.180 2.756 10.380 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.862 0.758 11.253 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.123 3.029 11.347 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.962 2.029 11.782 1.00 0.00 C ATOM 1571 OH TYR A 96 7.904 2.303 12.746 1.00 0.00 O ATOM 0 H TYR A 96 4.210 -0.878 10.483 1.00 0.00 H new ATOM 0 HA TYR A 96 2.181 0.179 8.641 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.532 1.280 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.314 2.073 8.753 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.848 -0.504 9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.522 3.545 10.046 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.520 -0.026 11.599 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.203 4.023 11.761 1.00 0.00 H new ATOM 0 HH TYR A 96 7.839 3.245 13.008 1.00 0.00 H new ATOM 1581 N LEU A 97 3.173 -0.811 6.518 1.00 0.00 N ATOM 1582 CA LEU A 97 3.503 -1.650 5.374 1.00 0.00 C ATOM 1583 C LEU A 97 3.800 -0.817 4.137 1.00 0.00 C ATOM 1584 O LEU A 97 3.502 0.377 4.087 1.00 0.00 O ATOM 1585 CB LEU A 97 2.362 -2.617 5.056 1.00 0.00 C ATOM 1586 CG LEU A 97 1.518 -3.050 6.254 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.574 -1.933 6.681 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.742 -4.306 5.911 1.00 0.00 C ATOM 0 H LEU A 97 2.518 -0.057 6.309 1.00 0.00 H new ATOM 0 HA LEU A 97 4.395 -2.214 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.707 -2.150 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.782 -3.507 4.588 1.00 0.00 H new ATOM 0 HG LEU A 97 2.182 -3.265 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.017 -2.263 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.154 -1.053 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.091 -1.683 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.143 -4.609 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.087 -4.109 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.438 -5.105 5.654 1.00 0.00 H new ATOM 1600 N LYS A 98 4.377 -1.477 3.140 1.00 0.00 N ATOM 1601 CA LYS A 98 4.717 -0.841 1.872 1.00 0.00 C ATOM 1602 C LYS A 98 4.451 -1.809 0.726 1.00 0.00 C ATOM 1603 O LYS A 98 4.971 -2.924 0.719 1.00 0.00 O ATOM 1604 CB LYS A 98 6.187 -0.420 1.862 1.00 0.00 C ATOM 1605 CG LYS A 98 6.480 0.752 0.939 1.00 0.00 C ATOM 1606 CD LYS A 98 7.663 0.465 0.028 1.00 0.00 C ATOM 1607 CE LYS A 98 8.984 0.746 0.725 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.179 2.199 0.980 1.00 0.00 N ATOM 0 H LYS A 98 4.622 -2.466 3.187 1.00 0.00 H new ATOM 0 HA LYS A 98 4.099 0.048 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.487 -0.156 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.798 -1.271 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.599 0.969 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.686 1.642 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.633 -0.577 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.588 1.076 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.018 0.204 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.804 0.372 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.191 2.395 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.827 2.744 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.655 2.475 1.835 1.00 0.00 H new ATOM 1622 N ALA A 99 3.634 -1.392 -0.237 1.00 0.00 N ATOM 1623 CA ALA A 99 3.304 -2.254 -1.365 1.00 0.00 C ATOM 1624 C ALA A 99 3.310 -1.499 -2.692 1.00 0.00 C ATOM 1625 O ALA A 99 2.746 -0.410 -2.801 1.00 0.00 O ATOM 1626 CB ALA A 99 1.946 -2.901 -1.144 1.00 0.00 C ATOM 0 H ALA A 99 3.193 -0.473 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 99 4.075 -3.022 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.707 -3.544 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.971 -3.498 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.185 -2.126 -1.050 1.00 0.00 H new ATOM 1632 N PRO A 100 3.939 -2.084 -3.729 1.00 0.00 N ATOM 1633 CA PRO A 100 4.007 -1.490 -5.056 1.00 0.00 C ATOM 1634 C PRO A 100 2.854 -1.960 -5.939 1.00 0.00 C ATOM 1635 O PRO A 100 2.746 -3.146 -6.249 1.00 0.00 O ATOM 1636 CB PRO A 100 5.337 -2.030 -5.576 1.00 0.00 C ATOM 1637 CG PRO A 100 5.464 -3.389 -4.960 1.00 0.00 C ATOM 1638 CD PRO A 100 4.630 -3.387 -3.697 1.00 0.00 C ATOM 0 HA PRO A 100 3.937 -0.402 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.343 -2.087 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.167 -1.385 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.116 -4.158 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.506 -3.613 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.921 -4.215 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.252 -3.487 -2.808 1.00 0.00 H new ATOM 1646 N MET A 101 1.987 -1.032 -6.338 1.00 0.00 N ATOM 1647 CA MET A 101 0.845 -1.378 -7.178 1.00 0.00 C ATOM 1648 C MET A 101 0.719 -0.422 -8.358 1.00 0.00 C ATOM 1649 O MET A 101 1.434 0.576 -8.442 1.00 0.00 O ATOM 1650 CB MET A 101 -0.449 -1.378 -6.354 1.00 0.00 C ATOM 1651 CG MET A 101 -0.886 0.001 -5.884 1.00 0.00 C ATOM 1652 SD MET A 101 -2.667 0.256 -6.039 1.00 0.00 S ATOM 1653 CE MET A 101 -3.133 0.482 -4.324 1.00 0.00 C ATOM 0 H MET A 101 2.053 -0.043 -6.095 1.00 0.00 H new ATOM 0 HA MET A 101 1.012 -2.381 -7.571 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.248 -1.816 -6.952 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.313 -2.020 -5.484 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.593 0.136 -4.843 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.362 0.761 -6.464 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.120 0.941 -4.273 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.156 -0.486 -3.823 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.406 1.128 -3.832 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.187 -0.744 -9.276 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.400 0.079 -10.457 1.00 0.00 C ATOM 1665 C ILE A 102 -1.653 0.939 -10.325 1.00 0.00 C ATOM 1666 O ILE A 102 -2.775 0.446 -10.443 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.517 -0.787 -11.730 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.736 -1.649 -11.903 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.740 0.087 -12.957 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.968 -0.860 -12.293 1.00 0.00 C ATOM 0 H ILE A 102 -0.784 -1.569 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 102 0.470 0.731 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.379 -1.446 -11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.934 -2.178 -10.971 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.544 -2.405 -12.664 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.820 -0.543 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.660 0.659 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.100 0.772 -13.073 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.816 -1.537 -12.397 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.790 -0.353 -13.241 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.186 -0.122 -11.522 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.449 2.232 -10.100 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.555 3.176 -9.978 1.00 0.00 C ATOM 1684 C LEU A 103 -2.750 3.899 -11.302 1.00 0.00 C ATOM 1685 O LEU A 103 -1.798 4.077 -12.040 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.290 4.186 -8.861 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.799 3.774 -7.479 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.546 4.880 -6.467 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.281 3.432 -7.540 1.00 0.00 C ATOM 0 H LEU A 103 -0.525 2.652 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.461 2.625 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.216 4.361 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.752 5.135 -9.133 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.254 2.886 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.914 4.570 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.476 5.079 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.066 5.785 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.628 3.141 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.842 4.303 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.436 2.607 -8.236 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.984 4.301 -11.595 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.322 4.998 -12.848 1.00 0.00 C ATOM 1703 C ASN A 104 -3.120 5.173 -13.791 1.00 0.00 C ATOM 1704 O ASN A 104 -2.504 6.238 -13.839 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.906 6.373 -12.522 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.397 6.319 -12.254 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.909 5.336 -11.721 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -7.102 7.382 -12.624 1.00 0.00 N ATOM 0 H ASN A 104 -4.782 4.156 -10.976 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.049 4.374 -13.368 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.397 6.783 -11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.713 7.053 -13.352 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.110 7.405 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.636 8.176 -13.063 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.811 4.118 -14.551 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.706 4.154 -15.506 1.00 0.00 C ATOM 1717 C GLY A 105 -0.450 4.815 -14.964 1.00 0.00 C ATOM 1718 O GLY A 105 0.085 5.735 -15.580 1.00 0.00 O ATOM 0 H GLY A 105 -3.312 3.230 -14.521 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.467 3.135 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.028 4.686 -16.401 1.00 0.00 H new ATOM 1722 N VAL A 106 0.015 4.341 -13.813 1.00 0.00 N ATOM 1723 CA VAL A 106 1.207 4.877 -13.166 1.00 0.00 C ATOM 1724 C VAL A 106 1.697 3.924 -12.079 1.00 0.00 C ATOM 1725 O VAL A 106 0.894 3.335 -11.355 1.00 0.00 O ATOM 1726 CB VAL A 106 0.923 6.252 -12.512 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.113 6.713 -11.681 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.567 7.295 -13.558 1.00 0.00 C ATOM 0 H VAL A 106 -0.424 3.575 -13.303 1.00 0.00 H new ATOM 0 HA VAL A 106 1.967 4.993 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 106 0.066 6.133 -11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.890 7.681 -11.232 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.311 5.985 -10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.991 6.804 -12.321 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.373 8.250 -13.069 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.396 7.407 -14.257 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.324 6.977 -14.100 1.00 0.00 H new ATOM 1738 N CYS A 107 3.011 3.795 -11.947 1.00 0.00 N ATOM 1739 CA CYS A 107 3.584 2.935 -10.920 1.00 0.00 C ATOM 1740 C CYS A 107 3.568 3.670 -9.586 1.00 0.00 C ATOM 1741 O CYS A 107 4.177 4.731 -9.449 1.00 0.00 O ATOM 1742 CB CYS A 107 5.012 2.528 -11.291 1.00 0.00 C ATOM 1743 SG CYS A 107 5.738 1.296 -10.185 1.00 0.00 S ATOM 0 H CYS A 107 3.696 4.271 -12.534 1.00 0.00 H new ATOM 0 HA CYS A 107 2.988 2.026 -10.839 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.014 2.134 -12.307 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.643 3.417 -11.292 1.00 0.00 H new ATOM 0 HG CYS A 107 6.944 1.015 -10.581 1.00 0.00 H new ATOM 1749 N VAL A 108 2.845 3.126 -8.612 1.00 0.00 N ATOM 1750 CA VAL A 108 2.733 3.770 -7.311 1.00 0.00 C ATOM 1751 C VAL A 108 3.159 2.857 -6.165 1.00 0.00 C ATOM 1752 O VAL A 108 3.401 1.665 -6.352 1.00 0.00 O ATOM 1753 CB VAL A 108 1.294 4.252 -7.059 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.898 5.301 -8.087 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.330 3.076 -7.085 1.00 0.00 C ATOM 0 H VAL A 108 2.333 2.248 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 108 3.412 4.622 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 108 1.246 4.710 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.123 5.632 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.575 6.153 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.958 4.871 -9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.684 3.433 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.376 2.589 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.606 2.362 -6.309 1.00 0.00 H new ATOM 1765 N ILE A 109 3.249 3.449 -4.980 1.00 0.00 N ATOM 1766 CA ILE A 109 3.646 2.738 -3.774 1.00 0.00 C ATOM 1767 C ILE A 109 2.913 3.300 -2.559 1.00 0.00 C ATOM 1768 O ILE A 109 3.122 4.453 -2.182 1.00 0.00 O ATOM 1769 CB ILE A 109 5.161 2.869 -3.527 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.945 2.638 -4.826 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.603 1.894 -2.445 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.440 2.516 -4.623 1.00 0.00 C ATOM 0 H ILE A 109 3.048 4.438 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 109 3.389 1.688 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 109 5.372 3.882 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.577 1.730 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.747 3.463 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.676 1.996 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.071 2.112 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.380 0.875 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.926 2.354 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.822 3.432 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.650 1.673 -3.964 1.00 0.00 H new ATOM 1784 N TRP A 110 2.057 2.489 -1.948 1.00 0.00 N ATOM 1785 CA TRP A 110 1.307 2.931 -0.776 1.00 0.00 C ATOM 1786 C TRP A 110 1.926 2.392 0.508 1.00 0.00 C ATOM 1787 O TRP A 110 2.161 1.191 0.640 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.154 2.491 -0.867 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.997 3.000 0.263 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.824 4.087 0.244 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.094 2.445 1.581 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.428 4.242 1.469 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.997 3.247 2.305 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.506 1.347 2.218 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.324 2.985 3.634 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.833 1.089 3.536 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.734 1.906 4.231 1.00 0.00 C ATOM 0 H TRP A 110 1.865 1.531 -2.240 1.00 0.00 H new ATOM 0 HA TRP A 110 1.348 4.020 -0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.574 2.840 -1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.198 1.402 -0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.980 4.731 -0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.090 4.978 1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.190 0.713 1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.019 3.612 4.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.386 0.244 4.038 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.968 1.679 5.261 1.00 0.00 H new ATOM 1808 N LYS A 111 2.183 3.289 1.451 1.00 0.00 N ATOM 1809 CA LYS A 111 2.768 2.912 2.728 1.00 0.00 C ATOM 1810 C LYS A 111 2.026 3.599 3.871 1.00 0.00 C ATOM 1811 O LYS A 111 1.595 4.745 3.739 1.00 0.00 O ATOM 1812 CB LYS A 111 4.257 3.272 2.751 1.00 0.00 C ATOM 1813 CG LYS A 111 4.878 3.252 4.138 1.00 0.00 C ATOM 1814 CD LYS A 111 4.675 4.581 4.843 1.00 0.00 C ATOM 1815 CE LYS A 111 4.375 4.391 6.321 1.00 0.00 C ATOM 1816 NZ LYS A 111 5.564 4.682 7.172 1.00 0.00 N ATOM 0 H LYS A 111 1.994 4.287 1.353 1.00 0.00 H new ATOM 0 HA LYS A 111 2.673 1.834 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.799 2.575 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.387 4.265 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.433 2.451 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.944 3.036 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.569 5.194 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.855 5.122 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.552 5.044 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.046 3.367 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.483 4.164 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.428 4.383 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.611 5.703 7.365 1.00 0.00 H new ATOM 1830 N GLY A 112 1.877 2.895 4.990 1.00 0.00 N ATOM 1831 CA GLY A 112 1.180 3.474 6.126 1.00 0.00 C ATOM 1832 C GLY A 112 1.062 2.517 7.291 1.00 0.00 C ATOM 1833 O GLY A 112 1.158 1.302 7.115 1.00 0.00 O ATOM 0 H GLY A 112 2.222 1.945 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.707 4.371 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.183 3.785 5.815 1.00 0.00 H new ATOM 1837 N TRP A 113 0.854 3.064 8.487 1.00 0.00 N ATOM 1838 CA TRP A 113 0.725 2.244 9.686 1.00 0.00 C ATOM 1839 C TRP A 113 -0.686 2.301 10.256 1.00 0.00 C ATOM 1840 O TRP A 113 -1.365 3.325 10.177 1.00 0.00 O ATOM 1841 CB TRP A 113 1.726 2.687 10.756 1.00 0.00 C ATOM 1842 CG TRP A 113 1.581 4.122 11.160 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.353 5.171 10.750 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.612 4.665 12.063 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.919 6.334 11.339 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.851 6.050 12.150 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.439 4.115 12.804 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.081 6.890 12.949 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.203 4.951 13.597 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.940 6.325 13.664 1.00 0.00 C ATOM 0 H TRP A 113 0.772 4.068 8.650 1.00 0.00 H new ATOM 0 HA TRP A 113 0.938 1.215 9.395 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.605 2.057 11.637 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.738 2.524 10.384 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.183 5.097 10.063 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.325 7.259 11.196 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.650 3.057 12.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.282 7.950 13.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.016 4.537 14.175 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.555 6.951 14.293 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.100 1.192 10.857 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.413 1.091 11.482 1.00 0.00 C ATOM 1863 C ILE A 114 -2.235 0.822 12.966 1.00 0.00 C ATOM 1864 O ILE A 114 -1.318 0.098 13.355 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.278 -0.042 10.877 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.907 -0.312 9.415 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.753 0.306 10.993 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.083 0.892 8.516 1.00 0.00 C ATOM 0 H ILE A 114 -0.539 0.343 10.925 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.929 2.034 11.305 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.081 -0.953 11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.870 -0.643 9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.521 -1.130 9.038 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.351 -0.498 10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.015 0.433 12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.952 1.233 10.455 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.802 0.629 7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.125 1.211 8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.449 1.705 8.869 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.098 1.391 13.797 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.983 1.178 15.230 1.00 0.00 C ATOM 1882 C ASP A 115 -3.708 -0.108 15.616 1.00 0.00 C ATOM 1883 O ASP A 115 -4.819 -0.375 15.155 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.523 2.384 16.011 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.992 2.267 16.352 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.301 1.657 17.393 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.828 2.786 15.585 1.00 0.00 O ATOM 0 H ASP A 115 -3.870 1.992 13.510 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.930 1.074 15.491 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.951 2.497 16.932 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.364 3.289 15.424 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.042 -0.918 16.428 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.574 -2.209 16.847 1.00 0.00 C ATOM 1894 C LEU A 116 -4.681 -2.100 17.899 1.00 0.00 C ATOM 1895 O LEU A 116 -5.067 -3.106 18.494 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.429 -3.072 17.374 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.154 -3.030 16.519 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.077 -2.827 17.389 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.024 -4.297 15.683 1.00 0.00 C ATOM 0 H LEU A 116 -2.123 -0.701 16.813 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.034 -2.669 15.972 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.184 -2.749 18.386 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.771 -4.105 17.443 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.229 -2.181 15.840 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.967 -2.801 16.760 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.012 -1.886 17.931 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.160 -3.649 18.100 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.114 -4.247 15.085 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.978 -5.164 16.342 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.887 -4.388 15.024 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.205 -0.898 18.124 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.276 -0.720 19.099 1.00 0.00 C ATOM 1913 C HIS A 117 -7.574 -0.319 18.404 1.00 0.00 C ATOM 1914 O HIS A 117 -8.554 -1.063 18.408 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.887 0.342 20.131 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.476 0.221 20.617 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.145 -0.328 21.838 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.305 0.580 20.038 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.832 -0.298 21.990 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.300 0.246 20.911 1.00 0.00 N ATOM 0 H HIS A 117 -4.910 -0.044 17.651 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.432 -1.670 19.611 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.027 1.330 19.693 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.563 0.272 20.983 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.185 1.043 19.070 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.287 -0.657 22.850 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.303 0.394 20.752 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.559 0.863 17.805 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.716 1.393 17.091 1.00 0.00 C ATOM 1931 C ARG A 118 -8.715 0.960 15.622 1.00 0.00 C ATOM 1932 O ARG A 118 -9.698 1.164 14.910 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.749 2.926 17.181 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.728 3.515 18.145 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.877 5.023 18.263 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.593 5.687 18.483 1.00 0.00 N ATOM 1937 CZ ARG A 118 -5.721 5.953 17.514 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -5.986 5.609 16.259 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -4.579 6.563 17.799 1.00 0.00 N ATOM 0 H ARG A 118 -6.748 1.482 17.799 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.608 0.986 17.566 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.577 3.341 16.188 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.746 3.240 17.489 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.849 3.059 19.128 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.722 3.274 17.803 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.336 5.414 17.355 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.551 5.257 19.087 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.352 5.962 19.435 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.862 5.138 16.033 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.313 5.816 15.521 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.369 6.828 18.761 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.910 6.767 17.056 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.608 0.368 15.171 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.487 -0.083 13.786 1.00 0.00 C ATOM 1955 C LEU A 119 -7.438 1.098 12.824 1.00 0.00 C ATOM 1956 O LEU A 119 -7.901 1.019 11.686 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.644 -1.000 13.423 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.261 -2.468 13.243 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.467 -3.287 12.805 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.126 -2.598 12.236 1.00 0.00 C ATOM 0 H LEU A 119 -6.784 0.190 15.745 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.552 -0.636 13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.404 -0.929 14.201 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.099 -0.641 12.500 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.918 -2.857 14.202 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.174 -4.330 12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.249 -3.217 13.561 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.843 -2.902 11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.863 -3.649 12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.444 -2.193 11.275 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.257 -2.045 12.593 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.868 2.187 13.300 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.736 3.404 12.506 1.00 0.00 C ATOM 1974 C ASP A 120 -5.340 4.001 12.668 1.00 0.00 C ATOM 1975 O ASP A 120 -4.748 3.932 13.744 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.793 4.428 12.922 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.161 4.112 12.352 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.442 2.921 12.107 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.953 5.057 12.151 1.00 0.00 O ATOM 0 H ASP A 120 -6.484 2.259 14.242 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.887 3.147 11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.855 4.461 14.010 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.485 5.419 12.590 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.817 4.582 11.594 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.494 5.175 11.655 1.00 0.00 C ATOM 1986 C GLY A 121 -3.272 6.227 10.587 1.00 0.00 C ATOM 1987 O GLY A 121 -4.152 7.042 10.315 1.00 0.00 O ATOM 0 H GLY A 121 -5.281 4.653 10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.347 5.624 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.744 4.391 11.548 1.00 0.00 H new ATOM 1991 N MET A 122 -2.087 6.211 9.984 1.00 0.00 N ATOM 1992 CA MET A 122 -1.747 7.174 8.944 1.00 0.00 C ATOM 1993 C MET A 122 -1.141 6.479 7.731 1.00 0.00 C ATOM 1994 O MET A 122 -0.339 5.553 7.866 1.00 0.00 O ATOM 1995 CB MET A 122 -0.769 8.217 9.487 1.00 0.00 C ATOM 1996 CG MET A 122 -1.335 9.044 10.631 1.00 0.00 C ATOM 1997 SD MET A 122 -1.023 10.810 10.437 1.00 0.00 S ATOM 1998 CE MET A 122 -2.692 11.455 10.502 1.00 0.00 C ATOM 0 H MET A 122 -1.347 5.542 10.198 1.00 0.00 H new ATOM 0 HA MET A 122 -2.666 7.671 8.633 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.135 7.713 9.827 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.476 8.885 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.410 8.875 10.699 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.899 8.704 11.570 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.686 12.431 10.986 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.083 11.554 9.490 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.324 10.772 11.070 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.527 6.935 6.544 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.013 6.352 5.320 1.00 0.00 C ATOM 2010 C GLY A 123 -0.457 7.399 4.375 1.00 0.00 C ATOM 2011 O GLY A 123 -0.428 8.585 4.702 1.00 0.00 O ATOM 0 H GLY A 123 -2.188 7.700 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.231 5.633 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.809 5.800 4.820 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.013 6.961 3.203 1.00 0.00 N ATOM 2016 CA CYS A 124 0.546 7.875 2.214 1.00 0.00 C ATOM 2017 C CYS A 124 0.884 7.145 0.920 1.00 0.00 C ATOM 2018 O CYS A 124 1.265 5.975 0.937 1.00 0.00 O ATOM 2019 CB CYS A 124 1.798 8.556 2.771 1.00 0.00 C ATOM 2020 SG CYS A 124 3.185 7.430 3.059 1.00 0.00 S ATOM 0 H CYS A 124 -0.029 5.983 2.915 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.206 8.632 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.114 9.335 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.543 9.049 3.709 1.00 0.00 H new ATOM 0 HG CYS A 124 4.026 7.980 3.884 1.00 0.00 H new ATOM 2026 N LEU A 125 0.753 7.847 -0.202 1.00 0.00 N ATOM 2027 CA LEU A 125 1.057 7.262 -1.504 1.00 0.00 C ATOM 2028 C LEU A 125 2.377 7.809 -2.043 1.00 0.00 C ATOM 2029 O LEU A 125 2.842 8.864 -1.616 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.073 7.542 -2.502 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.277 6.600 -2.409 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.404 7.082 -3.312 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.870 5.181 -2.773 1.00 0.00 C ATOM 0 H LEU A 125 0.440 8.817 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 125 1.150 6.183 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.420 8.565 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.334 7.486 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.638 6.602 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.251 6.400 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.713 8.082 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.056 7.110 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.737 4.524 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.484 5.163 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.097 4.837 -2.086 1.00 0.00 H new ATOM 2045 N GLU A 126 2.979 7.081 -2.976 1.00 0.00 N ATOM 2046 CA GLU A 126 4.244 7.490 -3.570 1.00 0.00 C ATOM 2047 C GLU A 126 4.340 6.973 -4.998 1.00 0.00 C ATOM 2048 O GLU A 126 3.669 6.011 -5.357 1.00 0.00 O ATOM 2049 CB GLU A 126 5.419 6.967 -2.742 1.00 0.00 C ATOM 2050 CG GLU A 126 6.651 7.854 -2.805 1.00 0.00 C ATOM 2051 CD GLU A 126 6.573 9.030 -1.851 1.00 0.00 C ATOM 2052 OE1 GLU A 126 5.483 9.627 -1.733 1.00 0.00 O ATOM 2053 OE2 GLU A 126 7.602 9.353 -1.221 1.00 0.00 O ATOM 0 H GLU A 126 2.609 6.202 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 126 4.286 8.579 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.105 6.869 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.682 5.968 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.534 7.260 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.776 8.224 -3.823 1.00 0.00 H new ATOM 2060 N PHE A 127 5.171 7.606 -5.813 1.00 0.00 N ATOM 2061 CA PHE A 127 5.333 7.182 -7.190 1.00 0.00 C ATOM 2062 C PHE A 127 6.701 6.526 -7.367 1.00 0.00 C ATOM 2063 O PHE A 127 7.676 6.924 -6.730 1.00 0.00 O ATOM 2064 CB PHE A 127 5.153 8.381 -8.124 1.00 0.00 C ATOM 2065 CG PHE A 127 5.844 8.243 -9.443 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.204 8.437 -9.533 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.132 7.921 -10.585 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.854 8.314 -10.745 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.774 7.795 -11.801 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.139 7.992 -11.880 1.00 0.00 C ATOM 0 H PHE A 127 5.739 8.410 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 127 4.572 6.444 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.088 8.533 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.525 9.275 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.768 8.688 -8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.065 7.767 -10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.921 8.470 -10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.211 7.543 -12.687 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.646 7.894 -12.829 1.00 0.00 H new ATOM 2080 N ASP A 128 6.766 5.511 -8.221 1.00 0.00 N ATOM 2081 CA ASP A 128 8.014 4.796 -8.457 1.00 0.00 C ATOM 2082 C ASP A 128 8.812 5.434 -9.591 1.00 0.00 C ATOM 2083 O ASP A 128 8.443 5.323 -10.758 1.00 0.00 O ATOM 2084 CB ASP A 128 7.730 3.330 -8.784 1.00 0.00 C ATOM 2085 CG ASP A 128 8.876 2.417 -8.392 1.00 0.00 C ATOM 2086 OD1 ASP A 128 10.041 2.862 -8.463 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.607 1.257 -8.013 1.00 0.00 O ATOM 0 H ASP A 128 5.972 5.166 -8.760 1.00 0.00 H new ATOM 0 HA ASP A 128 8.609 4.854 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.824 3.014 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.538 3.230 -9.852 1.00 0.00 H new ATOM 2092 N GLU A 129 9.909 6.098 -9.237 1.00 0.00 N ATOM 2093 CA GLU A 129 10.765 6.753 -10.222 1.00 0.00 C ATOM 2094 C GLU A 129 11.771 5.768 -10.812 1.00 0.00 C ATOM 2095 O GLU A 129 12.228 5.935 -11.942 1.00 0.00 O ATOM 2096 CB GLU A 129 11.504 7.933 -9.581 1.00 0.00 C ATOM 2097 CG GLU A 129 10.925 9.293 -9.946 1.00 0.00 C ATOM 2098 CD GLU A 129 11.880 10.432 -9.650 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.253 10.603 -8.470 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.258 11.151 -10.598 1.00 0.00 O ATOM 0 H GLU A 129 10.227 6.197 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 129 10.132 7.123 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.481 7.818 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.551 7.901 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.671 9.303 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.998 9.449 -9.395 1.00 0.00 H new