USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=24 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 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0923) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.0287 K(o=0.73,f=2.2) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.704 USER MOD Single : A 8 GLN : amide:sc= -0.876 K(o=-0.88,f=-1.9) USER MOD Single : A 10 SER OG : rot -170:sc= -1.33 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.8) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0387) USER MOD Single : A 22 SER OG : rot 122:sc= 1.97 USER MOD Single : A 25 CYS SG : rot 71:sc= -3.89! USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0164) USER MOD Single : A 29 TYR OH : rot -107:sc= -0.534 USER MOD Single : A 30 THR OG1 : rot 65:sc= -2.69! USER MOD Single : A 37 HIS : no HE2:sc= -10.6! C(o=-11!,f=-9.6!) USER MOD Single : A 45 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.5!) USER MOD Single : A 46 ASN : amide:sc= -0.0955 K(o=-0.096,f=-0.71) USER MOD Single : A 48 CYS SG : rot 63:sc= 0.0647 USER MOD Single : A 53 SER OG : rot -79:sc= 0.106! 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= -0.0052 K(o=-0.0052,f=-3!) USER MOD Single : A 65 SER OG : rot -141:sc= 0.655 USER MOD Single : A 67 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -151:sc= 0.839 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 151:sc= 0 (180deg=-0.078) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot 32:sc= -1.9 USER MOD Single : A 111 LYS NZ :NH3+ 167:sc= -1.34 (180deg=-2.16) USER MOD Single : A 117 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-0.22) USER MOD Single : A 122 MET CE :methyl -114:sc= -2 (180deg=-3.34!) USER MOD Single : A 124 CYS SG : rot -33:sc= -0.591 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 2.109 2.662 -18.496 1.00 0.00 N ATOM 59 CA VAL A 4 2.769 3.883 -18.069 1.00 0.00 C ATOM 60 C VAL A 4 2.628 4.995 -19.102 1.00 0.00 C ATOM 61 O VAL A 4 2.950 4.816 -20.277 1.00 0.00 O ATOM 62 CB VAL A 4 4.262 3.637 -17.790 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.448 3.026 -16.410 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.874 2.747 -18.863 1.00 0.00 C ATOM 0 HA VAL A 4 2.276 4.199 -17.149 1.00 0.00 H new ATOM 0 HB VAL A 4 4.780 4.596 -17.815 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.509 2.858 -16.227 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.053 3.705 -15.655 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.916 2.076 -16.358 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.930 2.587 -18.644 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.357 1.787 -18.878 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.774 3.228 -19.836 1.00 0.00 H new ATOM 74 N VAL A 5 2.150 6.147 -18.645 1.00 0.00 N ATOM 75 CA VAL A 5 1.965 7.307 -19.508 1.00 0.00 C ATOM 76 C VAL A 5 3.269 8.088 -19.653 1.00 0.00 C ATOM 77 O VAL A 5 4.104 8.077 -18.749 1.00 0.00 O ATOM 78 CB VAL A 5 0.874 8.248 -18.962 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.483 7.562 -18.979 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.225 8.715 -17.556 1.00 0.00 C ATOM 0 H VAL A 5 1.882 6.302 -17.673 1.00 0.00 H new ATOM 0 HA VAL A 5 1.653 6.933 -20.483 1.00 0.00 H new ATOM 0 HB VAL A 5 0.820 9.124 -19.609 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.240 8.243 -18.590 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.737 7.283 -20.002 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.446 6.667 -18.358 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.443 9.379 -17.187 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.309 7.851 -16.896 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.175 9.250 -17.577 1.00 0.00 H new ATOM 90 N PRO A 6 3.462 8.776 -20.798 1.00 0.00 N ATOM 91 CA PRO A 6 4.660 9.567 -21.075 1.00 0.00 C ATOM 92 C PRO A 6 5.312 10.127 -19.813 1.00 0.00 C ATOM 93 O PRO A 6 6.512 9.960 -19.596 1.00 0.00 O ATOM 94 CB PRO A 6 4.104 10.683 -21.948 1.00 0.00 C ATOM 95 CG PRO A 6 2.999 10.038 -22.729 1.00 0.00 C ATOM 96 CD PRO A 6 2.516 8.849 -21.924 1.00 0.00 C ATOM 0 HA PRO A 6 5.454 8.981 -21.539 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.732 11.510 -21.344 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.871 11.089 -22.608 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.186 10.743 -22.899 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.355 9.720 -23.709 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.492 8.991 -21.577 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.528 7.934 -22.516 1.00 0.00 H new ATOM 104 N ASP A 7 4.510 10.770 -18.969 1.00 0.00 N ATOM 105 CA ASP A 7 4.999 11.324 -17.725 1.00 0.00 C ATOM 106 C ASP A 7 4.132 10.821 -16.579 1.00 0.00 C ATOM 107 O ASP A 7 3.155 11.453 -16.188 1.00 0.00 O ATOM 108 CB ASP A 7 5.000 12.851 -17.781 1.00 0.00 C ATOM 109 CG ASP A 7 6.037 13.393 -18.744 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.380 12.680 -19.710 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.506 14.532 -18.532 1.00 0.00 O ATOM 0 H ASP A 7 3.514 10.917 -19.132 1.00 0.00 H new ATOM 0 HA ASP A 7 6.027 11.000 -17.562 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.012 13.202 -18.080 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.191 13.248 -16.784 1.00 0.00 H new ATOM 116 N GLN A 8 4.499 9.662 -16.058 1.00 0.00 N ATOM 117 CA GLN A 8 3.765 9.045 -14.964 1.00 0.00 C ATOM 118 C GLN A 8 3.768 9.968 -13.763 1.00 0.00 C ATOM 119 O GLN A 8 2.737 10.199 -13.132 1.00 0.00 O ATOM 120 CB GLN A 8 4.387 7.696 -14.601 1.00 0.00 C ATOM 121 CG GLN A 8 4.304 6.666 -15.715 1.00 0.00 C ATOM 122 CD GLN A 8 5.669 6.258 -16.234 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.466 5.657 -15.513 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.948 6.584 -17.490 1.00 0.00 N ATOM 0 H GLN A 8 5.306 9.126 -16.377 1.00 0.00 H new ATOM 0 HA GLN A 8 2.735 8.874 -15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.433 7.848 -14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.888 7.302 -13.716 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.779 5.783 -15.350 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.713 7.071 -16.536 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.258 7.082 -18.053 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.852 6.336 -17.892 1.00 0.00 H new ATOM 133 N ARG A 9 4.936 10.523 -13.476 1.00 0.00 N ATOM 134 CA ARG A 9 5.080 11.456 -12.378 1.00 0.00 C ATOM 135 C ARG A 9 4.281 12.711 -12.667 1.00 0.00 C ATOM 136 O ARG A 9 3.887 13.420 -11.752 1.00 0.00 O ATOM 137 CB ARG A 9 6.554 11.806 -12.156 1.00 0.00 C ATOM 138 CG ARG A 9 7.126 11.249 -10.864 1.00 0.00 C ATOM 139 CD ARG A 9 8.597 10.900 -11.015 1.00 0.00 C ATOM 140 NE ARG A 9 9.427 12.088 -11.203 1.00 0.00 N ATOM 141 CZ ARG A 9 9.687 12.972 -10.242 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.179 12.808 -9.026 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.456 14.021 -10.497 1.00 0.00 N ATOM 0 H ARG A 9 5.797 10.340 -13.992 1.00 0.00 H new ATOM 0 HA ARG A 9 4.700 10.990 -11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.138 11.427 -12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.664 12.890 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.004 11.980 -10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.568 10.360 -10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.934 10.359 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.725 10.231 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 9 9.831 12.250 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.587 12.002 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.381 13.488 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.849 14.151 -11.429 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.655 14.698 -9.761 1.00 0.00 H new ATOM 157 N SER A 10 4.036 12.984 -13.946 1.00 0.00 N ATOM 158 CA SER A 10 3.270 14.169 -14.316 1.00 0.00 C ATOM 159 C SER A 10 1.869 14.107 -13.728 1.00 0.00 C ATOM 160 O SER A 10 1.332 15.117 -13.273 1.00 0.00 O ATOM 161 CB SER A 10 3.195 14.329 -15.839 1.00 0.00 C ATOM 162 OG SER A 10 4.240 15.159 -16.318 1.00 0.00 O ATOM 0 H SER A 10 4.350 12.412 -14.730 1.00 0.00 H new ATOM 0 HA SER A 10 3.786 15.037 -13.907 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.258 13.350 -16.314 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.231 14.756 -16.116 1.00 0.00 H new ATOM 0 HG SER A 10 4.081 15.374 -17.261 1.00 0.00 H new ATOM 168 N LYS A 11 1.281 12.918 -13.732 1.00 0.00 N ATOM 169 CA LYS A 11 -0.056 12.740 -13.188 1.00 0.00 C ATOM 170 C LYS A 11 -0.007 12.529 -11.691 1.00 0.00 C ATOM 171 O LYS A 11 -0.852 13.034 -10.963 1.00 0.00 O ATOM 172 CB LYS A 11 -0.767 11.568 -13.868 1.00 0.00 C ATOM 173 CG LYS A 11 -1.454 11.947 -15.171 1.00 0.00 C ATOM 174 CD LYS A 11 -0.659 11.477 -16.379 1.00 0.00 C ATOM 175 CE LYS A 11 -0.740 12.476 -17.522 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.897 11.801 -18.840 1.00 0.00 N ATOM 0 H LYS A 11 1.706 12.069 -14.103 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.622 13.650 -13.387 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.042 10.779 -14.065 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.508 11.156 -13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.452 11.509 -15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.580 13.029 -15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.383 11.331 -16.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.038 10.510 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.581 13.149 -17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.161 13.089 -17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.948 12.517 -19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.082 11.178 -19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.770 11.236 -18.839 1.00 0.00 H new ATOM 190 N PHE A 12 0.990 11.807 -11.226 1.00 0.00 N ATOM 191 CA PHE A 12 1.129 11.571 -9.815 1.00 0.00 C ATOM 192 C PHE A 12 1.516 12.874 -9.114 1.00 0.00 C ATOM 193 O PHE A 12 1.325 13.019 -7.907 1.00 0.00 O ATOM 194 CB PHE A 12 2.147 10.449 -9.582 1.00 0.00 C ATOM 195 CG PHE A 12 2.888 10.536 -8.286 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.975 11.374 -8.170 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.504 9.774 -7.194 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.677 11.460 -6.980 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.197 9.849 -6.001 1.00 0.00 C ATOM 200 CZ PHE A 12 4.287 10.697 -5.894 1.00 0.00 C ATOM 0 H PHE A 12 1.711 11.377 -11.806 1.00 0.00 H new ATOM 0 HA PHE A 12 0.182 11.243 -9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.628 9.492 -9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.869 10.457 -10.399 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.283 11.970 -9.016 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.653 9.114 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.527 12.121 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.890 9.250 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.832 10.762 -4.964 1.00 0.00 H new ATOM 210 N GLU A 13 2.061 13.823 -9.883 1.00 0.00 N ATOM 211 CA GLU A 13 2.470 15.109 -9.327 1.00 0.00 C ATOM 212 C GLU A 13 1.434 16.207 -9.593 1.00 0.00 C ATOM 213 O GLU A 13 1.352 17.180 -8.843 1.00 0.00 O ATOM 214 CB GLU A 13 3.839 15.513 -9.894 1.00 0.00 C ATOM 215 CG GLU A 13 4.049 17.013 -10.021 1.00 0.00 C ATOM 216 CD GLU A 13 4.018 17.725 -8.683 1.00 0.00 C ATOM 217 OE1 GLU A 13 4.721 17.274 -7.754 1.00 0.00 O ATOM 218 OE2 GLU A 13 3.292 18.735 -8.564 1.00 0.00 O ATOM 0 H GLU A 13 2.227 13.722 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 13 2.546 14.994 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.619 15.102 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.960 15.057 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.007 17.202 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.277 17.430 -10.668 1.00 0.00 H new ATOM 225 N ASN A 14 0.681 16.079 -10.683 1.00 0.00 N ATOM 226 CA ASN A 14 -0.299 17.102 -11.047 1.00 0.00 C ATOM 227 C ASN A 14 -1.736 16.707 -10.714 1.00 0.00 C ATOM 228 O ASN A 14 -2.577 17.574 -10.472 1.00 0.00 O ATOM 229 CB ASN A 14 -0.189 17.422 -12.538 1.00 0.00 C ATOM 230 CG ASN A 14 -1.042 18.609 -12.938 1.00 0.00 C ATOM 231 OD1 ASN A 14 -2.270 18.532 -12.945 1.00 0.00 O ATOM 232 ND2 ASN A 14 -0.392 19.717 -13.275 1.00 0.00 N ATOM 0 H ASN A 14 0.728 15.287 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.065 17.983 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.852 17.626 -12.787 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.491 16.549 -13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.912 20.549 -13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.628 19.736 -13.255 1.00 0.00 H new ATOM 239 N GLU A 15 -2.031 15.412 -10.710 1.00 0.00 N ATOM 240 CA GLU A 15 -3.391 14.959 -10.415 1.00 0.00 C ATOM 241 C GLU A 15 -3.790 15.332 -8.987 1.00 0.00 C ATOM 242 O GLU A 15 -2.997 15.198 -8.058 1.00 0.00 O ATOM 243 CB GLU A 15 -3.519 13.454 -10.637 1.00 0.00 C ATOM 244 CG GLU A 15 -3.811 13.078 -12.079 1.00 0.00 C ATOM 245 CD GLU A 15 -5.194 13.509 -12.527 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.185 12.988 -11.975 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.286 14.369 -13.428 1.00 0.00 O ATOM 0 H GLU A 15 -1.362 14.667 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.073 15.463 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.595 12.968 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.315 13.067 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.064 13.536 -12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.716 11.998 -12.195 1.00 0.00 H new ATOM 254 N GLU A 16 -5.018 15.828 -8.832 1.00 0.00 N ATOM 255 CA GLU A 16 -5.526 16.261 -7.525 1.00 0.00 C ATOM 256 C GLU A 16 -5.597 15.112 -6.522 1.00 0.00 C ATOM 257 O GLU A 16 -4.706 14.964 -5.687 1.00 0.00 O ATOM 258 CB GLU A 16 -6.898 16.929 -7.666 1.00 0.00 C ATOM 259 CG GLU A 16 -7.828 16.239 -8.651 1.00 0.00 C ATOM 260 CD GLU A 16 -8.183 17.118 -9.835 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.947 18.088 -9.646 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.698 16.835 -10.950 1.00 0.00 O ATOM 0 H GLU A 16 -5.683 15.941 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.815 16.991 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.379 16.957 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.756 17.963 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.356 15.325 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.742 15.944 -8.136 1.00 0.00 H new ATOM 269 N PHE A 17 -6.653 14.297 -6.592 1.00 0.00 N ATOM 270 CA PHE A 17 -6.802 13.171 -5.672 1.00 0.00 C ATOM 271 C PHE A 17 -5.507 12.376 -5.621 1.00 0.00 C ATOM 272 O PHE A 17 -5.069 11.934 -4.560 1.00 0.00 O ATOM 273 CB PHE A 17 -7.974 12.273 -6.110 1.00 0.00 C ATOM 274 CG PHE A 17 -7.643 10.804 -6.155 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.937 10.273 -7.223 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.032 9.959 -5.127 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.626 8.927 -7.265 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.724 8.612 -5.164 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.020 8.095 -6.235 1.00 0.00 C ATOM 0 H PHE A 17 -7.409 14.395 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.020 13.551 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.809 12.425 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.310 12.589 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.626 10.918 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.582 10.358 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.075 8.526 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.033 7.964 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.778 7.043 -6.267 1.00 0.00 H new ATOM 289 N PHE A 18 -4.908 12.203 -6.788 1.00 0.00 N ATOM 290 CA PHE A 18 -3.671 11.470 -6.916 1.00 0.00 C ATOM 291 C PHE A 18 -2.591 12.167 -6.100 1.00 0.00 C ATOM 292 O PHE A 18 -1.701 11.523 -5.557 1.00 0.00 O ATOM 293 CB PHE A 18 -3.300 11.439 -8.388 1.00 0.00 C ATOM 294 CG PHE A 18 -2.644 10.180 -8.828 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.365 9.839 -8.439 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.348 9.332 -9.649 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.794 8.654 -8.874 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.792 8.151 -10.091 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.513 7.809 -9.705 1.00 0.00 C ATOM 0 H PHE A 18 -5.270 12.568 -7.669 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.775 10.451 -6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.202 11.591 -8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.634 12.275 -8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.806 10.499 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.351 9.595 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.207 8.390 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.356 7.495 -10.738 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.073 6.885 -10.049 1.00 0.00 H new ATOM 309 N ARG A 19 -2.708 13.490 -5.996 1.00 0.00 N ATOM 310 CA ARG A 19 -1.777 14.289 -5.213 1.00 0.00 C ATOM 311 C ARG A 19 -2.182 14.228 -3.748 1.00 0.00 C ATOM 312 O ARG A 19 -1.439 13.723 -2.901 1.00 0.00 O ATOM 313 CB ARG A 19 -1.778 15.744 -5.686 1.00 0.00 C ATOM 314 CG ARG A 19 -0.731 16.044 -6.748 1.00 0.00 C ATOM 315 CD ARG A 19 0.408 16.882 -6.189 1.00 0.00 C ATOM 316 NE ARG A 19 1.620 16.092 -5.986 1.00 0.00 N ATOM 317 CZ ARG A 19 2.605 16.440 -5.162 1.00 0.00 C ATOM 318 NH1 ARG A 19 2.532 17.567 -4.465 1.00 0.00 N ATOM 319 NH2 ARG A 19 3.668 15.658 -5.032 1.00 0.00 N ATOM 0 H ARG A 19 -3.445 14.031 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.772 13.888 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.764 15.987 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.609 16.395 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.335 15.109 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.197 16.571 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.622 17.705 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.101 17.325 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 19 1.717 15.221 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.717 18.173 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.291 17.827 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.731 14.790 -5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.423 15.925 -4.400 1.00 0.00 H new ATOM 333 N LYS A 20 -3.388 14.726 -3.463 1.00 0.00 N ATOM 334 CA LYS A 20 -3.927 14.715 -2.107 1.00 0.00 C ATOM 335 C LYS A 20 -3.678 13.358 -1.461 1.00 0.00 C ATOM 336 O LYS A 20 -3.453 13.259 -0.254 1.00 0.00 O ATOM 337 CB LYS A 20 -5.427 15.025 -2.127 1.00 0.00 C ATOM 338 CG LYS A 20 -5.754 16.415 -2.656 1.00 0.00 C ATOM 339 CD LYS A 20 -6.675 16.356 -3.866 1.00 0.00 C ATOM 340 CE LYS A 20 -8.117 16.648 -3.487 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.628 15.694 -2.463 1.00 0.00 N ATOM 0 H LYS A 20 -4.009 15.142 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.423 15.484 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.935 14.282 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.823 14.927 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.226 17.002 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.831 16.928 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.342 17.076 -4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.612 15.369 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.192 17.666 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.744 16.595 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.649 15.840 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.456 14.719 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.136 15.856 -1.561 1.00 0.00 H new ATOM 355 N LEU A 21 -3.693 12.316 -2.289 1.00 0.00 N ATOM 356 CA LEU A 21 -3.441 10.962 -1.820 1.00 0.00 C ATOM 357 C LEU A 21 -1.949 10.659 -1.896 1.00 0.00 C ATOM 358 O LEU A 21 -1.393 10.018 -1.004 1.00 0.00 O ATOM 359 CB LEU A 21 -4.231 9.943 -2.649 1.00 0.00 C ATOM 360 CG LEU A 21 -5.755 9.952 -2.454 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.309 8.541 -2.567 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.141 10.564 -1.112 1.00 0.00 C ATOM 0 H LEU A 21 -3.878 12.387 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.770 10.886 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.019 10.120 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.860 8.946 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.189 10.569 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.390 8.562 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.079 8.138 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.856 7.910 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.226 10.555 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.693 9.984 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.781 11.592 -1.064 1.00 0.00 H new ATOM 374 N SER A 22 -1.296 11.150 -2.956 1.00 0.00 N ATOM 375 CA SER A 22 0.145 10.951 -3.135 1.00 0.00 C ATOM 376 C SER A 22 0.916 11.391 -1.893 1.00 0.00 C ATOM 377 O SER A 22 2.088 11.057 -1.728 1.00 0.00 O ATOM 378 CB SER A 22 0.655 11.727 -4.350 1.00 0.00 C ATOM 379 OG SER A 22 2.061 11.906 -4.293 1.00 0.00 O ATOM 0 H SER A 22 -1.742 11.686 -3.700 1.00 0.00 H new ATOM 0 HA SER A 22 0.310 9.886 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.391 11.193 -5.263 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.164 12.699 -4.396 1.00 0.00 H new ATOM 0 HG SER A 22 2.473 11.515 -5.091 1.00 0.00 H new ATOM 385 N ARG A 23 0.255 12.151 -1.028 1.00 0.00 N ATOM 386 CA ARG A 23 0.879 12.640 0.189 1.00 0.00 C ATOM 387 C ARG A 23 0.491 11.761 1.372 1.00 0.00 C ATOM 388 O ARG A 23 -0.025 10.656 1.192 1.00 0.00 O ATOM 389 CB ARG A 23 0.454 14.087 0.441 1.00 0.00 C ATOM 390 CG ARG A 23 0.359 14.923 -0.829 1.00 0.00 C ATOM 391 CD ARG A 23 1.643 15.697 -1.088 1.00 0.00 C ATOM 392 NE ARG A 23 1.407 17.137 -1.173 1.00 0.00 N ATOM 393 CZ ARG A 23 1.327 17.941 -0.115 1.00 0.00 C ATOM 394 NH1 ARG A 23 1.462 17.453 1.112 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.110 19.238 -0.284 1.00 0.00 N ATOM 0 H ARG A 23 -0.715 12.441 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 23 1.962 12.603 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.514 14.091 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.167 14.553 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.148 14.273 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.476 15.619 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.356 15.493 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.095 15.348 -2.016 1.00 0.00 H new ATOM 0 HE ARG A 23 1.297 17.551 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.628 16.456 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.400 18.075 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.004 19.619 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.049 19.855 0.526 1.00 0.00 H new ATOM 409 N GLU A 24 0.760 12.247 2.577 1.00 0.00 N ATOM 410 CA GLU A 24 0.453 11.494 3.791 1.00 0.00 C ATOM 411 C GLU A 24 -0.737 12.090 4.536 1.00 0.00 C ATOM 412 O GLU A 24 -0.724 13.261 4.917 1.00 0.00 O ATOM 413 CB GLU A 24 1.674 11.456 4.713 1.00 0.00 C ATOM 414 CG GLU A 24 2.983 11.198 3.981 1.00 0.00 C ATOM 415 CD GLU A 24 3.907 12.400 3.996 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.939 13.111 5.021 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.599 12.629 2.981 1.00 0.00 O ATOM 0 H GLU A 24 1.189 13.157 2.742 1.00 0.00 H new ATOM 0 HA GLU A 24 0.191 10.479 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.746 12.404 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.528 10.679 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.490 10.349 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.769 10.922 2.948 1.00 0.00 H new ATOM 424 N CYS A 25 -1.760 11.268 4.751 1.00 0.00 N ATOM 425 CA CYS A 25 -2.957 11.701 5.464 1.00 0.00 C ATOM 426 C CYS A 25 -3.610 10.540 6.207 1.00 0.00 C ATOM 427 O CYS A 25 -3.477 9.378 5.820 1.00 0.00 O ATOM 428 CB CYS A 25 -3.955 12.375 4.512 1.00 0.00 C ATOM 429 SG CYS A 25 -3.891 11.785 2.803 1.00 0.00 S ATOM 0 H CYS A 25 -1.784 10.297 4.441 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.650 12.439 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.963 12.221 4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.772 13.449 4.518 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.366 10.576 2.743 1.00 0.00 H new ATOM 435 N GLU A 26 -4.292 10.874 7.297 1.00 0.00 N ATOM 436 CA GLU A 26 -4.957 9.891 8.148 1.00 0.00 C ATOM 437 C GLU A 26 -5.672 8.799 7.356 1.00 0.00 C ATOM 438 O GLU A 26 -6.304 9.055 6.330 1.00 0.00 O ATOM 439 CB GLU A 26 -5.960 10.588 9.069 1.00 0.00 C ATOM 440 CG GLU A 26 -5.389 11.799 9.789 1.00 0.00 C ATOM 441 CD GLU A 26 -6.212 12.200 10.999 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.446 12.331 10.860 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.621 12.383 12.084 1.00 0.00 O ATOM 0 H GLU A 26 -4.400 11.836 7.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.174 9.407 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.824 10.899 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.319 9.872 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.368 11.582 10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.337 12.638 9.095 1.00 0.00 H new ATOM 450 N ILE A 27 -5.582 7.578 7.874 1.00 0.00 N ATOM 451 CA ILE A 27 -6.232 6.421 7.266 1.00 0.00 C ATOM 452 C ILE A 27 -6.932 5.589 8.338 1.00 0.00 C ATOM 453 O ILE A 27 -6.672 5.755 9.530 1.00 0.00 O ATOM 454 CB ILE A 27 -5.234 5.527 6.499 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.179 4.950 7.445 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.577 6.315 5.377 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.285 3.913 6.794 1.00 0.00 C ATOM 0 H ILE A 27 -5.059 7.363 8.723 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.961 6.802 6.551 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.784 4.693 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.561 5.763 7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.679 4.500 8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.876 5.673 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.341 6.670 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.042 7.168 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.561 3.547 7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.893 3.081 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.757 4.364 5.953 1.00 0.00 H new ATOM 469 N LYS A 28 -7.823 4.699 7.915 1.00 0.00 N ATOM 470 CA LYS A 28 -8.557 3.854 8.852 1.00 0.00 C ATOM 471 C LYS A 28 -8.967 2.540 8.199 1.00 0.00 C ATOM 472 O LYS A 28 -8.911 2.400 6.979 1.00 0.00 O ATOM 473 CB LYS A 28 -9.794 4.590 9.368 1.00 0.00 C ATOM 474 CG LYS A 28 -9.469 5.741 10.306 1.00 0.00 C ATOM 475 CD LYS A 28 -10.551 5.929 11.356 1.00 0.00 C ATOM 476 CE LYS A 28 -11.418 7.140 11.054 1.00 0.00 C ATOM 477 NZ LYS A 28 -10.702 8.418 11.324 1.00 0.00 N ATOM 0 H LYS A 28 -8.054 4.544 6.934 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.899 3.628 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.360 4.973 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.439 3.881 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.514 5.553 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.356 6.660 9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.175 5.036 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.091 6.046 12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.729 7.112 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.324 7.097 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.362 9.215 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.324 8.406 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.919 8.527 10.648 1.00 0.00 H new ATOM 491 N TYR A 29 -9.368 1.573 9.019 1.00 0.00 N ATOM 492 CA TYR A 29 -9.776 0.267 8.513 1.00 0.00 C ATOM 493 C TYR A 29 -11.272 0.219 8.208 1.00 0.00 C ATOM 494 O TYR A 29 -12.106 0.316 9.109 1.00 0.00 O ATOM 495 CB TYR A 29 -9.404 -0.827 9.518 1.00 0.00 C ATOM 496 CG TYR A 29 -8.747 -2.041 8.895 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.950 -1.930 7.760 1.00 0.00 C ATOM 498 CD2 TYR A 29 -8.937 -3.303 9.440 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.363 -3.042 7.188 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.350 -4.419 8.874 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.566 -4.283 7.748 1.00 0.00 C ATOM 502 OH TYR A 29 -6.985 -5.393 7.178 1.00 0.00 O ATOM 0 H TYR A 29 -9.419 1.669 10.033 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.244 0.093 7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.731 -0.406 10.265 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.305 -1.144 10.044 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.787 -0.958 7.319 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.553 -3.415 10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.748 -2.938 6.306 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.505 -5.394 9.312 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.672 -5.927 6.727 1.00 0.00 H new ATOM 512 N THR A 30 -11.599 0.055 6.927 1.00 0.00 N ATOM 513 CA THR A 30 -12.988 -0.025 6.488 1.00 0.00 C ATOM 514 C THR A 30 -13.118 -0.933 5.264 1.00 0.00 C ATOM 515 O THR A 30 -13.283 -0.463 4.139 1.00 0.00 O ATOM 516 CB THR A 30 -13.535 1.373 6.175 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.106 1.810 4.899 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.115 2.420 7.184 1.00 0.00 C ATOM 0 H THR A 30 -10.916 -0.025 6.173 1.00 0.00 H new ATOM 0 HA THR A 30 -13.576 -0.455 7.299 1.00 0.00 H new ATOM 0 HB THR A 30 -14.620 1.270 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.497 1.235 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.536 3.385 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.479 2.139 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.027 2.490 7.204 1.00 0.00 H new ATOM 526 N GLY A 31 -13.043 -2.241 5.498 1.00 0.00 N ATOM 527 CA GLY A 31 -13.152 -3.205 4.413 1.00 0.00 C ATOM 528 C GLY A 31 -14.008 -4.398 4.793 1.00 0.00 C ATOM 529 O GLY A 31 -15.194 -4.447 4.467 1.00 0.00 O ATOM 0 H GLY A 31 -12.908 -2.652 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.579 -2.717 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.156 -3.549 4.133 1.00 0.00 H new ATOM 533 N PHE A 32 -13.414 -5.353 5.505 1.00 0.00 N ATOM 534 CA PHE A 32 -14.145 -6.536 5.951 1.00 0.00 C ATOM 535 C PHE A 32 -14.400 -6.451 7.448 1.00 0.00 C ATOM 536 O PHE A 32 -14.595 -7.464 8.117 1.00 0.00 O ATOM 537 CB PHE A 32 -13.384 -7.831 5.624 1.00 0.00 C ATOM 538 CG PHE A 32 -11.882 -7.696 5.598 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.253 -7.091 4.524 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.102 -8.192 6.637 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.875 -6.978 4.481 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.716 -8.079 6.599 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.108 -7.470 5.519 1.00 0.00 C ATOM 0 H PHE A 32 -12.433 -5.331 5.784 1.00 0.00 H new ATOM 0 HA PHE A 32 -15.095 -6.563 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.653 -8.589 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.718 -8.196 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.846 -6.702 3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.577 -8.669 7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.399 -6.505 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.118 -8.466 7.411 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.032 -7.378 5.486 1.00 0.00 H new ATOM 553 N ARG A 33 -14.375 -5.227 7.967 1.00 0.00 N ATOM 554 CA ARG A 33 -14.580 -4.984 9.385 1.00 0.00 C ATOM 555 C ARG A 33 -16.046 -4.796 9.725 1.00 0.00 C ATOM 556 O ARG A 33 -16.423 -4.794 10.898 1.00 0.00 O ATOM 557 CB ARG A 33 -13.765 -3.759 9.810 1.00 0.00 C ATOM 558 CG ARG A 33 -14.584 -2.491 10.048 1.00 0.00 C ATOM 559 CD ARG A 33 -15.190 -1.959 8.759 1.00 0.00 C ATOM 560 NE ARG A 33 -15.570 -0.553 8.874 1.00 0.00 N ATOM 561 CZ ARG A 33 -16.656 -0.129 9.516 1.00 0.00 C ATOM 562 NH1 ARG A 33 -17.471 -0.997 10.102 1.00 0.00 N ATOM 563 NH2 ARG A 33 -16.929 1.168 9.573 1.00 0.00 N ATOM 0 H ARG A 33 -14.213 -4.383 7.418 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.240 -5.861 9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.223 -4.001 10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.019 -3.553 9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.379 -2.701 10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.948 -1.726 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.473 -2.076 7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.067 -2.552 8.499 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.968 0.144 8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.267 -1.996 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.302 -0.666 10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.307 1.840 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.761 1.493 10.065 1.00 0.00 H new ATOM 577 N ASP A 34 -16.872 -4.630 8.708 1.00 0.00 N ATOM 578 CA ASP A 34 -18.291 -4.433 8.928 1.00 0.00 C ATOM 579 C ASP A 34 -18.895 -5.593 9.718 1.00 0.00 C ATOM 580 O ASP A 34 -20.047 -5.518 10.149 1.00 0.00 O ATOM 581 CB ASP A 34 -19.027 -4.258 7.597 1.00 0.00 C ATOM 582 CG ASP A 34 -18.577 -5.253 6.544 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.451 -5.099 6.025 1.00 0.00 O ATOM 584 OD2 ASP A 34 -19.351 -6.184 6.238 1.00 0.00 O ATOM 0 H ASP A 34 -16.587 -4.628 7.729 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.411 -3.523 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.099 -4.369 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.865 -3.246 7.227 1.00 0.00 H new ATOM 589 N ARG A 35 -18.125 -6.669 9.914 1.00 0.00 N ATOM 590 CA ARG A 35 -18.624 -7.818 10.659 1.00 0.00 C ATOM 591 C ARG A 35 -17.737 -8.133 11.875 1.00 0.00 C ATOM 592 O ARG A 35 -18.180 -7.966 13.013 1.00 0.00 O ATOM 593 CB ARG A 35 -18.784 -9.044 9.743 1.00 0.00 C ATOM 594 CG ARG A 35 -18.897 -8.706 8.255 1.00 0.00 C ATOM 595 CD ARG A 35 -17.578 -8.217 7.660 1.00 0.00 C ATOM 596 NE ARG A 35 -17.436 -8.602 6.257 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.986 -9.789 5.853 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.644 -10.715 6.742 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.880 -10.052 4.558 1.00 0.00 N ATOM 0 H ARG A 35 -17.169 -6.764 9.571 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.611 -7.560 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.931 -9.707 9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.673 -9.597 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.231 -9.589 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.659 -7.939 8.118 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.521 -7.132 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.747 -8.626 8.234 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.697 -7.921 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.725 -10.519 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.300 -11.622 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.143 -9.345 3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.535 -10.961 4.249 1.00 0.00 H new ATOM 613 N PRO A 36 -16.487 -8.613 11.682 1.00 0.00 N ATOM 614 CA PRO A 36 -15.587 -8.960 12.765 1.00 0.00 C ATOM 615 C PRO A 36 -14.427 -7.976 12.918 1.00 0.00 C ATOM 616 O PRO A 36 -13.269 -8.385 12.944 1.00 0.00 O ATOM 617 CB PRO A 36 -15.066 -10.294 12.251 1.00 0.00 C ATOM 618 CG PRO A 36 -14.938 -10.087 10.767 1.00 0.00 C ATOM 619 CD PRO A 36 -15.822 -8.904 10.410 1.00 0.00 C ATOM 0 HA PRO A 36 -16.065 -8.966 13.745 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.107 -10.549 12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.754 -11.107 12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.901 -9.892 10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.249 -10.980 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.239 -8.055 10.053 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.537 -9.153 9.626 1.00 0.00 H new ATOM 627 N HIS A 37 -14.734 -6.683 13.007 1.00 0.00 N ATOM 628 CA HIS A 37 -13.699 -5.650 13.145 1.00 0.00 C ATOM 629 C HIS A 37 -12.612 -6.068 14.141 1.00 0.00 C ATOM 630 O HIS A 37 -11.439 -6.214 13.778 1.00 0.00 O ATOM 631 CB HIS A 37 -14.335 -4.329 13.584 1.00 0.00 C ATOM 632 CG HIS A 37 -13.361 -3.197 13.722 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.946 -2.710 14.945 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.729 -2.442 12.788 1.00 0.00 C ATOM 635 CE1 HIS A 37 -12.107 -1.708 14.758 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.958 -1.525 13.458 1.00 0.00 N ATOM 0 H HIS A 37 -15.688 -6.322 12.986 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.225 -5.520 12.172 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -15.101 -4.049 12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.838 -4.480 14.539 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.242 -3.069 15.853 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.816 -2.544 11.716 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.624 -1.135 15.536 1.00 0.00 H new ATOM 645 N GLU A 38 -13.008 -6.268 15.395 1.00 0.00 N ATOM 646 CA GLU A 38 -12.070 -6.674 16.438 1.00 0.00 C ATOM 647 C GLU A 38 -11.272 -7.901 16.008 1.00 0.00 C ATOM 648 O GLU A 38 -10.145 -8.109 16.458 1.00 0.00 O ATOM 649 CB GLU A 38 -12.816 -6.965 17.741 1.00 0.00 C ATOM 650 CG GLU A 38 -12.926 -5.760 18.661 1.00 0.00 C ATOM 651 CD GLU A 38 -13.366 -6.136 20.063 1.00 0.00 C ATOM 652 OE1 GLU A 38 -14.590 -6.175 20.309 1.00 0.00 O ATOM 653 OE2 GLU A 38 -12.487 -6.391 20.913 1.00 0.00 O ATOM 0 H GLU A 38 -13.970 -6.156 15.714 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.374 -5.852 16.603 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.818 -7.323 17.504 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.306 -7.770 18.270 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.961 -5.255 18.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.637 -5.049 18.239 1.00 0.00 H new ATOM 660 N GLU A 39 -11.848 -8.692 15.111 1.00 0.00 N ATOM 661 CA GLU A 39 -11.174 -9.872 14.593 1.00 0.00 C ATOM 662 C GLU A 39 -10.298 -9.448 13.435 1.00 0.00 C ATOM 663 O GLU A 39 -9.196 -9.961 13.235 1.00 0.00 O ATOM 664 CB GLU A 39 -12.184 -10.928 14.143 1.00 0.00 C ATOM 665 CG GLU A 39 -11.782 -12.349 14.504 1.00 0.00 C ATOM 666 CD GLU A 39 -12.967 -13.204 14.907 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.609 -12.886 15.930 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.254 -14.193 14.199 1.00 0.00 O ATOM 0 H GLU A 39 -12.781 -8.536 14.728 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.566 -10.320 15.379 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.152 -10.708 14.593 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.312 -10.859 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.280 -12.808 13.653 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.062 -12.323 15.322 1.00 0.00 H new ATOM 675 N ARG A 40 -10.808 -8.473 12.690 1.00 0.00 N ATOM 676 CA ARG A 40 -10.105 -7.915 11.558 1.00 0.00 C ATOM 677 C ARG A 40 -8.740 -7.415 11.994 1.00 0.00 C ATOM 678 O ARG A 40 -7.816 -7.329 11.189 1.00 0.00 O ATOM 679 CB ARG A 40 -10.920 -6.780 10.954 1.00 0.00 C ATOM 680 CG ARG A 40 -10.903 -6.775 9.432 1.00 0.00 C ATOM 681 CD ARG A 40 -11.269 -5.413 8.870 1.00 0.00 C ATOM 682 NE ARG A 40 -10.671 -5.175 7.558 1.00 0.00 N ATOM 683 CZ ARG A 40 -10.598 -3.982 6.977 1.00 0.00 C ATOM 684 NH1 ARG A 40 -11.036 -2.904 7.605 1.00 0.00 N ATOM 685 NH2 ARG A 40 -10.067 -3.864 5.769 1.00 0.00 N ATOM 0 H ARG A 40 -11.721 -8.052 12.860 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.967 -8.688 10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.951 -6.858 11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.532 -5.829 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.912 -7.060 9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.602 -7.523 9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.353 -5.334 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.942 -4.637 9.562 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.285 -5.975 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.433 -2.985 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.977 -1.991 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.714 -4.689 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.011 -2.948 5.324 1.00 0.00 H new ATOM 699 N GLN A 41 -8.610 -7.105 13.282 1.00 0.00 N ATOM 700 CA GLN A 41 -7.333 -6.640 13.810 1.00 0.00 C ATOM 701 C GLN A 41 -6.286 -7.732 13.606 1.00 0.00 C ATOM 702 O GLN A 41 -5.146 -7.460 13.223 1.00 0.00 O ATOM 703 CB GLN A 41 -7.456 -6.245 15.291 1.00 0.00 C ATOM 704 CG GLN A 41 -7.449 -7.413 16.267 1.00 0.00 C ATOM 705 CD GLN A 41 -6.096 -7.613 16.922 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.639 -6.773 17.696 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.447 -8.729 16.612 1.00 0.00 N ATOM 0 H GLN A 41 -9.362 -7.166 13.969 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.022 -5.745 13.272 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.634 -5.575 15.543 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.380 -5.682 15.427 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.201 -7.243 17.038 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.733 -8.324 15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.864 -9.398 15.965 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.532 -8.917 17.021 1.00 0.00 H new ATOM 716 N THR A 42 -6.707 -8.977 13.817 1.00 0.00 N ATOM 717 CA THR A 42 -5.839 -10.127 13.613 1.00 0.00 C ATOM 718 C THR A 42 -5.890 -10.530 12.152 1.00 0.00 C ATOM 719 O THR A 42 -4.890 -10.956 11.576 1.00 0.00 O ATOM 720 CB THR A 42 -6.268 -11.299 14.497 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.633 -10.850 15.789 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.190 -12.348 14.661 1.00 0.00 C ATOM 0 H THR A 42 -7.649 -9.212 14.130 1.00 0.00 H new ATOM 0 HA THR A 42 -4.819 -9.856 13.888 1.00 0.00 H new ATOM 0 HB THR A 42 -7.118 -11.750 13.985 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.905 -11.616 16.337 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.558 -13.151 15.299 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.925 -12.753 13.684 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.309 -11.896 15.118 1.00 0.00 H new ATOM 730 N ARG A 43 -7.064 -10.361 11.547 1.00 0.00 N ATOM 731 CA ARG A 43 -7.237 -10.676 10.141 1.00 0.00 C ATOM 732 C ARG A 43 -6.366 -9.746 9.308 1.00 0.00 C ATOM 733 O ARG A 43 -5.898 -10.109 8.229 1.00 0.00 O ATOM 734 CB ARG A 43 -8.705 -10.547 9.741 1.00 0.00 C ATOM 735 CG ARG A 43 -9.290 -11.835 9.191 1.00 0.00 C ATOM 736 CD ARG A 43 -10.645 -12.138 9.808 1.00 0.00 C ATOM 737 NE ARG A 43 -10.970 -13.562 9.744 1.00 0.00 N ATOM 738 CZ ARG A 43 -10.494 -14.469 10.594 1.00 0.00 C ATOM 739 NH1 ARG A 43 -9.666 -14.109 11.566 1.00 0.00 N ATOM 740 NH2 ARG A 43 -10.845 -15.742 10.468 1.00 0.00 N ATOM 0 H ARG A 43 -7.902 -10.009 12.010 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.932 -11.707 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.285 -10.233 10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.803 -9.762 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.391 -11.757 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.606 -12.660 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.651 -11.811 10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.415 -11.567 9.290 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.598 -13.879 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.390 -13.132 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.305 -14.809 12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.479 -16.025 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.481 -16.438 11.119 1.00 0.00 H new ATOM 754 N PHE A 44 -6.129 -8.550 9.843 1.00 0.00 N ATOM 755 CA PHE A 44 -5.295 -7.567 9.186 1.00 0.00 C ATOM 756 C PHE A 44 -3.832 -7.974 9.346 1.00 0.00 C ATOM 757 O PHE A 44 -3.125 -8.203 8.366 1.00 0.00 O ATOM 758 CB PHE A 44 -5.539 -6.188 9.799 1.00 0.00 C ATOM 759 CG PHE A 44 -4.312 -5.339 9.870 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.852 -4.664 8.755 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.614 -5.231 11.054 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.713 -3.890 8.820 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.471 -4.459 11.132 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.020 -3.787 10.010 1.00 0.00 C ATOM 0 H PHE A 44 -6.510 -8.244 10.738 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.540 -7.519 8.125 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.297 -5.668 9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.943 -6.313 10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.391 -4.744 7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.965 -5.756 11.930 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.364 -3.366 7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.932 -4.380 12.065 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.127 -3.182 10.065 1.00 0.00 H new ATOM 774 N GLN A 45 -3.397 -8.079 10.604 1.00 0.00 N ATOM 775 CA GLN A 45 -2.029 -8.481 10.913 1.00 0.00 C ATOM 776 C GLN A 45 -1.724 -9.828 10.265 1.00 0.00 C ATOM 777 O GLN A 45 -0.588 -10.108 9.884 1.00 0.00 O ATOM 778 CB GLN A 45 -1.830 -8.569 12.429 1.00 0.00 C ATOM 779 CG GLN A 45 -0.732 -7.659 12.954 1.00 0.00 C ATOM 780 CD GLN A 45 -0.581 -7.743 14.461 1.00 0.00 C ATOM 781 OE1 GLN A 45 -1.569 -7.812 15.193 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.659 -7.737 14.933 1.00 0.00 N ATOM 0 H GLN A 45 -3.975 -7.890 11.423 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.344 -7.732 10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.767 -8.317 12.925 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.595 -9.599 12.697 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.213 -7.926 12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.951 -6.630 12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.449 -7.679 14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.822 -7.791 15.938 1.00 0.00 H new ATOM 791 N ASN A 46 -2.763 -10.644 10.128 1.00 0.00 N ATOM 792 CA ASN A 46 -2.636 -11.954 9.504 1.00 0.00 C ATOM 793 C ASN A 46 -2.512 -11.780 7.998 1.00 0.00 C ATOM 794 O ASN A 46 -1.811 -12.535 7.325 1.00 0.00 O ATOM 795 CB ASN A 46 -3.845 -12.829 9.836 1.00 0.00 C ATOM 796 CG ASN A 46 -3.708 -14.237 9.286 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.838 -14.461 8.083 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.442 -15.192 10.169 1.00 0.00 N ATOM 0 H ASN A 46 -3.707 -10.419 10.443 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.744 -12.448 9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.971 -12.875 10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.746 -12.369 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.337 -16.158 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.343 -14.960 11.157 1.00 0.00 H new ATOM 805 N ALA A 47 -3.172 -10.746 7.490 1.00 0.00 N ATOM 806 CA ALA A 47 -3.117 -10.423 6.077 1.00 0.00 C ATOM 807 C ALA A 47 -1.714 -9.959 5.746 1.00 0.00 C ATOM 808 O ALA A 47 -1.201 -10.205 4.654 1.00 0.00 O ATOM 809 CB ALA A 47 -4.141 -9.349 5.731 1.00 0.00 C ATOM 0 H ALA A 47 -3.754 -10.116 8.043 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.359 -11.306 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.084 -9.121 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.141 -9.709 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.932 -8.448 6.307 1.00 0.00 H new ATOM 815 N CYS A 48 -1.080 -9.321 6.728 1.00 0.00 N ATOM 816 CA CYS A 48 0.291 -8.864 6.570 1.00 0.00 C ATOM 817 C CYS A 48 1.194 -10.073 6.392 1.00 0.00 C ATOM 818 O CYS A 48 2.294 -9.972 5.849 1.00 0.00 O ATOM 819 CB CYS A 48 0.732 -8.043 7.783 1.00 0.00 C ATOM 820 SG CYS A 48 -0.161 -6.484 7.983 1.00 0.00 S ATOM 0 H CYS A 48 -1.495 -9.112 7.636 1.00 0.00 H new ATOM 0 HA CYS A 48 0.359 -8.222 5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.599 -8.644 8.683 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.798 -7.830 7.697 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.422 -6.729 8.185 1.00 0.00 H new ATOM 826 N ARG A 49 0.701 -11.231 6.835 1.00 0.00 N ATOM 827 CA ARG A 49 1.450 -12.471 6.700 1.00 0.00 C ATOM 828 C ARG A 49 1.447 -12.913 5.236 1.00 0.00 C ATOM 829 O ARG A 49 2.375 -13.577 4.773 1.00 0.00 O ATOM 830 CB ARG A 49 0.856 -13.560 7.610 1.00 0.00 C ATOM 831 CG ARG A 49 0.097 -14.659 6.876 1.00 0.00 C ATOM 832 CD ARG A 49 -0.416 -15.721 7.836 1.00 0.00 C ATOM 833 NE ARG A 49 0.624 -16.685 8.194 1.00 0.00 N ATOM 834 CZ ARG A 49 1.465 -16.530 9.214 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.401 -15.449 9.983 1.00 0.00 N ATOM 836 NH2 ARG A 49 2.376 -17.459 9.467 1.00 0.00 N ATOM 0 H ARG A 49 -0.208 -11.331 7.287 1.00 0.00 H new ATOM 0 HA ARG A 49 2.481 -12.306 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.663 -14.015 8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.183 -13.089 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.741 -14.223 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.750 -15.121 6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.792 -15.241 8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.256 -16.246 7.381 1.00 0.00 H new ATOM 0 HE ARG A 49 0.710 -17.528 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.703 -14.729 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.049 -15.339 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.432 -18.292 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.021 -17.341 10.248 1.00 0.00 H new ATOM 850 N ASP A 50 0.398 -12.521 4.516 1.00 0.00 N ATOM 851 CA ASP A 50 0.265 -12.853 3.103 1.00 0.00 C ATOM 852 C ASP A 50 0.623 -11.651 2.227 1.00 0.00 C ATOM 853 O ASP A 50 0.369 -11.653 1.022 1.00 0.00 O ATOM 854 CB ASP A 50 -1.161 -13.316 2.798 1.00 0.00 C ATOM 855 CG ASP A 50 -1.404 -14.752 3.217 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.968 -15.130 4.325 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.032 -15.500 2.437 1.00 0.00 O ATOM 0 H ASP A 50 -0.374 -11.971 4.892 1.00 0.00 H new ATOM 0 HA ASP A 50 0.957 -13.664 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.869 -12.666 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.352 -13.215 1.730 1.00 0.00 H new ATOM 862 N GLY A 51 1.222 -10.630 2.839 1.00 0.00 N ATOM 863 CA GLY A 51 1.615 -9.441 2.104 1.00 0.00 C ATOM 864 C GLY A 51 0.461 -8.788 1.365 1.00 0.00 C ATOM 865 O GLY A 51 0.640 -8.268 0.267 1.00 0.00 O ATOM 0 H GLY A 51 1.442 -10.607 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.049 -8.720 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.394 -9.705 1.389 1.00 0.00 H new ATOM 869 N ARG A 52 -0.723 -8.817 1.964 1.00 0.00 N ATOM 870 CA ARG A 52 -1.904 -8.219 1.352 1.00 0.00 C ATOM 871 C ARG A 52 -2.915 -7.741 2.385 1.00 0.00 C ATOM 872 O ARG A 52 -3.332 -8.498 3.260 1.00 0.00 O ATOM 873 CB ARG A 52 -2.564 -9.216 0.413 1.00 0.00 C ATOM 874 CG ARG A 52 -1.916 -9.225 -0.950 1.00 0.00 C ATOM 875 CD ARG A 52 -1.317 -10.583 -1.284 1.00 0.00 C ATOM 876 NE ARG A 52 -2.090 -11.291 -2.303 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.106 -12.111 -2.036 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.482 -12.332 -0.782 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.748 -12.711 -3.028 1.00 0.00 N ATOM 0 H ARG A 52 -0.891 -9.248 2.873 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.569 -7.345 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.508 -10.214 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.621 -8.972 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.655 -8.959 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.135 -8.465 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.293 -10.451 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.269 -11.190 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.836 -11.148 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.992 -11.873 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.261 -12.961 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.464 -12.545 -3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.526 -13.339 -2.826 1.00 0.00 H new ATOM 893 N SER A 53 -3.325 -6.487 2.253 1.00 0.00 N ATOM 894 CA SER A 53 -4.319 -5.906 3.154 1.00 0.00 C ATOM 895 C SER A 53 -5.230 -4.922 2.427 1.00 0.00 C ATOM 896 O SER A 53 -4.936 -4.479 1.313 1.00 0.00 O ATOM 897 CB SER A 53 -3.657 -5.214 4.343 1.00 0.00 C ATOM 898 OG SER A 53 -3.269 -3.891 4.014 1.00 0.00 O ATOM 0 H SER A 53 -2.987 -5.850 1.532 1.00 0.00 H new ATOM 0 HA SER A 53 -4.927 -6.732 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.347 -5.194 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.783 -5.784 4.659 1.00 0.00 H new ATOM 0 HG SER A 53 -2.430 -3.912 3.509 1.00 0.00 H new ATOM 904 N GLU A 54 -6.322 -4.568 3.091 1.00 0.00 N ATOM 905 CA GLU A 54 -7.283 -3.615 2.555 1.00 0.00 C ATOM 906 C GLU A 54 -7.478 -2.480 3.551 1.00 0.00 C ATOM 907 O GLU A 54 -8.135 -2.649 4.578 1.00 0.00 O ATOM 908 CB GLU A 54 -8.620 -4.302 2.270 1.00 0.00 C ATOM 909 CG GLU A 54 -9.336 -3.758 1.045 1.00 0.00 C ATOM 910 CD GLU A 54 -10.289 -4.764 0.432 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.876 -5.566 1.190 1.00 0.00 O ATOM 912 OE2 GLU A 54 -10.450 -4.752 -0.807 1.00 0.00 O ATOM 0 H GLU A 54 -6.566 -4.932 4.012 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.900 -3.213 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.449 -5.370 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.269 -4.190 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.889 -2.860 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.598 -3.461 0.300 1.00 0.00 H new ATOM 919 N ILE A 55 -6.883 -1.330 3.261 1.00 0.00 N ATOM 920 CA ILE A 55 -6.973 -0.183 4.156 1.00 0.00 C ATOM 921 C ILE A 55 -7.818 0.937 3.564 1.00 0.00 C ATOM 922 O ILE A 55 -7.812 1.170 2.355 1.00 0.00 O ATOM 923 CB ILE A 55 -5.577 0.387 4.488 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.533 -0.731 4.567 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.621 1.171 5.790 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.716 -1.655 5.751 1.00 0.00 C ATOM 0 H ILE A 55 -6.335 -1.167 2.416 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.448 -0.550 5.066 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.285 1.064 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.573 -1.319 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.540 -0.285 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.629 1.566 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.327 1.996 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.938 0.514 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.940 -2.420 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.645 -1.081 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.695 -2.131 5.693 1.00 0.00 H new ATOM 938 N ALA A 56 -8.531 1.638 4.438 1.00 0.00 N ATOM 939 CA ALA A 56 -9.371 2.754 4.030 1.00 0.00 C ATOM 940 C ALA A 56 -8.583 4.054 4.108 1.00 0.00 C ATOM 941 O ALA A 56 -7.619 4.156 4.867 1.00 0.00 O ATOM 942 CB ALA A 56 -10.614 2.833 4.901 1.00 0.00 C ATOM 0 H ALA A 56 -8.543 1.450 5.440 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.687 2.595 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.230 3.674 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.184 1.909 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.321 2.973 5.941 1.00 0.00 H new ATOM 948 N PHE A 57 -8.976 5.040 3.314 1.00 0.00 N ATOM 949 CA PHE A 57 -8.274 6.315 3.301 1.00 0.00 C ATOM 950 C PHE A 57 -9.191 7.436 3.794 1.00 0.00 C ATOM 951 O PHE A 57 -10.271 7.647 3.245 1.00 0.00 O ATOM 952 CB PHE A 57 -7.791 6.609 1.880 1.00 0.00 C ATOM 953 CG PHE A 57 -6.506 7.384 1.814 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.064 8.132 2.892 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.730 7.344 0.669 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.873 8.826 2.829 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.539 8.037 0.597 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.109 8.780 1.679 1.00 0.00 C ATOM 0 H PHE A 57 -9.770 4.983 2.676 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.416 6.260 3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.661 5.665 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.566 7.166 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.658 8.173 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.061 6.763 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.539 9.404 3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.944 7.999 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.177 9.324 1.626 1.00 0.00 H new ATOM 968 N VAL A 58 -8.758 8.147 4.835 1.00 0.00 N ATOM 969 CA VAL A 58 -9.552 9.238 5.395 1.00 0.00 C ATOM 970 C VAL A 58 -9.466 10.494 4.535 1.00 0.00 C ATOM 971 O VAL A 58 -10.368 11.332 4.555 1.00 0.00 O ATOM 972 CB VAL A 58 -9.112 9.584 6.831 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.113 10.525 7.482 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.938 8.320 7.664 1.00 0.00 C ATOM 0 H VAL A 58 -7.867 7.988 5.305 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.584 8.887 5.413 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.148 10.090 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.787 10.759 8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.179 11.445 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.092 10.047 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.627 8.589 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.884 7.780 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.178 7.685 7.208 1.00 0.00 H new ATOM 984 N ALA A 59 -8.375 10.624 3.783 1.00 0.00 N ATOM 985 CA ALA A 59 -8.172 11.784 2.918 1.00 0.00 C ATOM 986 C ALA A 59 -9.427 12.107 2.113 1.00 0.00 C ATOM 987 O ALA A 59 -9.874 13.253 2.074 1.00 0.00 O ATOM 988 CB ALA A 59 -6.994 11.545 1.986 1.00 0.00 C ATOM 0 H ALA A 59 -7.618 9.941 3.755 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.955 12.642 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.853 12.417 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.092 11.377 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.191 10.669 1.367 1.00 0.00 H new ATOM 994 N THR A 60 -9.991 11.090 1.472 1.00 0.00 N ATOM 995 CA THR A 60 -11.196 11.267 0.669 1.00 0.00 C ATOM 996 C THR A 60 -12.158 10.094 0.848 1.00 0.00 C ATOM 997 O THR A 60 -13.073 9.908 0.045 1.00 0.00 O ATOM 998 CB THR A 60 -10.828 11.417 -0.808 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.255 10.221 -1.306 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.847 12.540 -1.069 1.00 0.00 C ATOM 0 H THR A 60 -9.634 10.135 1.492 1.00 0.00 H new ATOM 0 HA THR A 60 -11.696 12.173 1.010 1.00 0.00 H new ATOM 0 HB THR A 60 -11.764 11.648 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.028 10.336 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.629 12.592 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.280 13.485 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.925 12.353 -0.518 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.949 9.304 1.898 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.810 8.163 2.146 1.00 0.00 C ATOM 1010 C GLY A 61 -12.772 7.161 1.010 1.00 0.00 C ATOM 1011 O GLY A 61 -13.811 6.783 0.471 1.00 0.00 O ATOM 0 H GLY A 61 -11.201 9.434 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.504 7.673 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.834 8.507 2.291 1.00 0.00 H new ATOM 1015 N THR A 62 -11.567 6.739 0.640 1.00 0.00 N ATOM 1016 CA THR A 62 -11.391 5.782 -0.446 1.00 0.00 C ATOM 1017 C THR A 62 -10.777 4.479 0.056 1.00 0.00 C ATOM 1018 O THR A 62 -9.801 4.490 0.805 1.00 0.00 O ATOM 1019 CB THR A 62 -10.503 6.383 -1.538 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.308 5.457 -2.591 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.137 6.803 -1.037 1.00 0.00 C ATOM 0 H THR A 62 -10.698 7.045 1.077 1.00 0.00 H new ATOM 0 HA THR A 62 -12.376 5.560 -0.858 1.00 0.00 H new ATOM 0 HB THR A 62 -11.033 7.270 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.739 5.860 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.559 7.220 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.251 7.555 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.616 5.936 -0.631 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.347 3.357 -0.373 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.843 2.047 0.023 1.00 0.00 C ATOM 1031 C ASN A 63 -9.625 1.685 -0.818 1.00 0.00 C ATOM 1032 O ASN A 63 -9.587 1.964 -2.016 1.00 0.00 O ATOM 1033 CB ASN A 63 -11.930 0.983 -0.141 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.498 -0.370 0.389 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.725 -0.458 1.343 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.998 -1.435 -0.229 1.00 0.00 N ATOM 0 H ASN A 63 -12.156 3.329 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.553 2.086 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.831 1.304 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.189 0.891 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.744 -2.372 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.636 -1.315 -1.016 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.623 1.080 -0.189 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.407 0.710 -0.902 1.00 0.00 C ATOM 1045 C LEU A 64 -6.960 -0.710 -0.578 1.00 0.00 C ATOM 1046 O LEU A 64 -6.685 -1.043 0.575 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.282 1.690 -0.566 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.360 3.040 -1.284 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.997 4.175 -0.336 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.450 3.046 -2.502 1.00 0.00 C ATOM 0 H LEU A 64 -8.628 0.838 0.802 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.632 0.753 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.285 1.867 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.328 1.221 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.386 3.193 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.059 5.125 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.691 4.183 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.981 4.030 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.517 4.013 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.421 2.870 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.759 2.260 -3.191 1.00 0.00 H new ATOM 1062 N SER A 65 -6.857 -1.531 -1.617 1.00 0.00 N ATOM 1063 CA SER A 65 -6.405 -2.909 -1.471 1.00 0.00 C ATOM 1064 C SER A 65 -5.010 -3.035 -2.067 1.00 0.00 C ATOM 1065 O SER A 65 -4.848 -3.056 -3.288 1.00 0.00 O ATOM 1066 CB SER A 65 -7.369 -3.869 -2.171 1.00 0.00 C ATOM 1067 OG SER A 65 -8.712 -3.443 -2.022 1.00 0.00 O ATOM 0 H SER A 65 -7.082 -1.264 -2.575 1.00 0.00 H new ATOM 0 HA SER A 65 -6.379 -3.171 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.120 -3.931 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.254 -4.871 -1.757 1.00 0.00 H new ATOM 0 HG SER A 65 -9.290 -4.223 -1.889 1.00 0.00 H new ATOM 1073 N LEU A 66 -3.999 -3.082 -1.207 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.620 -3.161 -1.671 1.00 0.00 C ATOM 1075 C LEU A 66 -1.926 -4.445 -1.228 1.00 0.00 C ATOM 1076 O LEU A 66 -2.239 -5.014 -0.182 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.816 -1.944 -1.191 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.327 -1.241 0.076 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.638 -0.513 -0.185 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.475 -2.221 1.232 1.00 0.00 C ATOM 0 H LEU A 66 -4.107 -3.067 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.658 -3.167 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.789 -2.262 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.788 -1.213 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.581 -0.498 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.973 -0.026 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.489 0.238 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.393 -1.228 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.838 -1.692 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.185 -3.001 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.508 -2.672 1.453 1.00 0.00 H new ATOM 1092 N GLN A 67 -0.964 -4.879 -2.040 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.189 -6.079 -1.757 1.00 0.00 C ATOM 1094 C GLN A 67 1.270 -5.707 -1.512 1.00 0.00 C ATOM 1095 O GLN A 67 1.950 -5.204 -2.407 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.292 -7.069 -2.920 1.00 0.00 C ATOM 1097 CG GLN A 67 -1.700 -7.217 -3.471 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.904 -6.451 -4.763 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -0.942 -6.052 -5.420 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.162 -6.241 -5.135 1.00 0.00 N ATOM 0 H GLN A 67 -0.703 -4.410 -2.907 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.592 -6.554 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.371 -6.744 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.064 -8.044 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.910 -8.273 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.416 -6.866 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.929 -6.590 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.361 -5.731 -5.996 1.00 0.00 H new ATOM 1109 N PHE A 68 1.737 -5.938 -0.292 1.00 0.00 N ATOM 1110 CA PHE A 68 3.110 -5.610 0.077 1.00 0.00 C ATOM 1111 C PHE A 68 3.981 -6.842 0.276 1.00 0.00 C ATOM 1112 O PHE A 68 3.698 -7.710 1.101 1.00 0.00 O ATOM 1113 CB PHE A 68 3.138 -4.735 1.328 1.00 0.00 C ATOM 1114 CG PHE A 68 1.868 -4.767 2.121 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.448 -5.916 2.778 1.00 0.00 C ATOM 1116 CD2 PHE A 68 1.090 -3.629 2.200 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.275 -5.916 3.503 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.079 -3.625 2.921 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.487 -4.768 3.574 1.00 0.00 C ATOM 0 H PHE A 68 1.186 -6.351 0.460 1.00 0.00 H new ATOM 0 HA PHE A 68 3.531 -5.055 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.961 -5.057 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.346 -3.706 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.044 -6.815 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.404 -2.731 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.046 -6.812 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.677 -2.728 2.976 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.405 -4.765 4.143 1.00 0.00 H new ATOM 1129 N PHE A 69 5.058 -6.873 -0.491 1.00 0.00 N ATOM 1130 CA PHE A 69 6.039 -7.949 -0.446 1.00 0.00 C ATOM 1131 C PHE A 69 7.361 -7.465 -1.035 1.00 0.00 C ATOM 1132 O PHE A 69 7.377 -6.543 -1.851 1.00 0.00 O ATOM 1133 CB PHE A 69 5.545 -9.174 -1.216 1.00 0.00 C ATOM 1134 CG PHE A 69 4.775 -10.153 -0.375 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.201 -10.484 0.904 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.627 -10.750 -0.871 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.492 -11.392 1.669 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.917 -11.656 -0.108 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.351 -11.977 1.162 1.00 0.00 C ATOM 0 H PHE A 69 5.280 -6.145 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 69 6.186 -8.237 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.913 -8.842 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.402 -9.684 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.094 -10.028 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.284 -10.504 -1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.832 -11.643 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.023 -12.113 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.797 -12.686 1.759 1.00 0.00 H new ATOM 1149 N PRO A 70 8.488 -8.075 -0.643 1.00 0.00 N ATOM 1150 CA PRO A 70 9.802 -7.684 -1.159 1.00 0.00 C ATOM 1151 C PRO A 70 9.873 -7.804 -2.678 1.00 0.00 C ATOM 1152 O PRO A 70 9.802 -8.903 -3.228 1.00 0.00 O ATOM 1153 CB PRO A 70 10.766 -8.671 -0.493 1.00 0.00 C ATOM 1154 CG PRO A 70 10.030 -9.191 0.696 1.00 0.00 C ATOM 1155 CD PRO A 70 8.576 -9.185 0.318 1.00 0.00 C ATOM 0 HA PRO A 70 10.035 -6.642 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.036 -9.478 -1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.693 -8.179 -0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.363 -10.197 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.209 -8.565 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.272 -10.131 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.935 -9.021 1.184 1.00 0.00 H new ATOM 1163 N ALA A 71 10.007 -6.665 -3.349 1.00 0.00 N ATOM 1164 CA ALA A 71 10.080 -6.632 -4.806 1.00 0.00 C ATOM 1165 C ALA A 71 11.198 -7.528 -5.337 1.00 0.00 C ATOM 1166 O ALA A 71 11.178 -7.934 -6.498 1.00 0.00 O ATOM 1167 CB ALA A 71 10.274 -5.203 -5.291 1.00 0.00 C ATOM 0 H ALA A 71 10.068 -5.749 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 71 9.137 -7.017 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.327 -5.192 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.435 -4.590 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.200 -4.801 -4.879 1.00 0.00 H new ATOM 1173 N SER A 72 12.172 -7.833 -4.483 1.00 0.00 N ATOM 1174 CA SER A 72 13.293 -8.680 -4.880 1.00 0.00 C ATOM 1175 C SER A 72 13.012 -10.153 -4.583 1.00 0.00 C ATOM 1176 O SER A 72 13.935 -10.965 -4.523 1.00 0.00 O ATOM 1177 CB SER A 72 14.568 -8.237 -4.159 1.00 0.00 C ATOM 1178 OG SER A 72 14.993 -6.964 -4.611 1.00 0.00 O ATOM 0 H SER A 72 12.208 -7.508 -3.517 1.00 0.00 H new ATOM 0 HA SER A 72 13.429 -8.572 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.389 -8.204 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.358 -8.969 -4.328 1.00 0.00 H new ATOM 0 HG SER A 72 15.808 -6.703 -4.134 1.00 0.00 H new ATOM 1319 N PRO A 81 6.991 -12.601 5.171 1.00 0.00 N ATOM 1320 CA PRO A 81 7.355 -11.327 4.548 1.00 0.00 C ATOM 1321 C PRO A 81 8.467 -10.606 5.299 1.00 0.00 C ATOM 1322 O PRO A 81 8.848 -11.002 6.401 1.00 0.00 O ATOM 1323 CB PRO A 81 6.058 -10.500 4.606 1.00 0.00 C ATOM 1324 CG PRO A 81 5.085 -11.315 5.398 1.00 0.00 C ATOM 1325 CD PRO A 81 5.537 -12.742 5.278 1.00 0.00 C ATOM 0 HA PRO A 81 7.737 -11.475 3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.232 -9.533 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.677 -10.302 3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.070 -10.998 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.072 -11.194 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.249 -13.334 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.110 -13.231 4.402 1.00 0.00 H new ATOM 1333 N SER A 82 8.975 -9.539 4.696 1.00 0.00 N ATOM 1334 CA SER A 82 10.036 -8.749 5.307 1.00 0.00 C ATOM 1335 C SER A 82 9.486 -7.418 5.806 1.00 0.00 C ATOM 1336 O SER A 82 8.411 -6.990 5.389 1.00 0.00 O ATOM 1337 CB SER A 82 11.166 -8.505 4.304 1.00 0.00 C ATOM 1338 OG SER A 82 12.393 -8.256 4.967 1.00 0.00 O ATOM 0 H SER A 82 8.669 -9.201 3.784 1.00 0.00 H new ATOM 0 HA SER A 82 10.434 -9.306 6.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.271 -9.372 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.914 -7.657 3.668 1.00 0.00 H new ATOM 0 HG SER A 82 12.957 -7.682 4.407 1.00 0.00 H new ATOM 1344 N ARG A 83 10.227 -6.763 6.695 1.00 0.00 N ATOM 1345 CA ARG A 83 9.796 -5.477 7.237 1.00 0.00 C ATOM 1346 C ARG A 83 9.920 -4.372 6.187 1.00 0.00 C ATOM 1347 O ARG A 83 9.482 -3.242 6.410 1.00 0.00 O ATOM 1348 CB ARG A 83 10.587 -5.112 8.500 1.00 0.00 C ATOM 1349 CG ARG A 83 11.069 -6.312 9.307 1.00 0.00 C ATOM 1350 CD ARG A 83 10.618 -6.225 10.756 1.00 0.00 C ATOM 1351 NE ARG A 83 11.535 -6.917 11.659 1.00 0.00 N ATOM 1352 CZ ARG A 83 11.196 -7.351 12.872 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.963 -7.168 13.331 1.00 0.00 N ATOM 1354 NH2 ARG A 83 12.092 -7.969 13.628 1.00 0.00 N ATOM 0 H ARG A 83 11.122 -7.097 7.053 1.00 0.00 H new ATOM 0 HA ARG A 83 8.746 -5.571 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.450 -4.512 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.962 -4.487 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.687 -7.230 8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.157 -6.366 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.542 -5.178 11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.621 -6.656 10.852 1.00 0.00 H new ATOM 0 HE ARG A 83 12.491 -7.077 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.269 -6.693 12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.710 -7.503 14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.040 -8.112 13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.833 -8.302 14.557 1.00 0.00 H new ATOM 1368 N GLU A 84 10.501 -4.706 5.033 1.00 0.00 N ATOM 1369 CA GLU A 84 10.657 -3.748 3.946 1.00 0.00 C ATOM 1370 C GLU A 84 9.299 -3.254 3.475 1.00 0.00 C ATOM 1371 O GLU A 84 9.045 -2.051 3.424 1.00 0.00 O ATOM 1372 CB GLU A 84 11.413 -4.385 2.779 1.00 0.00 C ATOM 1373 CG GLU A 84 12.921 -4.406 2.971 1.00 0.00 C ATOM 1374 CD GLU A 84 13.566 -5.646 2.383 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.160 -6.764 2.764 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.477 -5.499 1.541 1.00 0.00 O ATOM 0 H GLU A 84 10.870 -5.635 4.831 1.00 0.00 H new ATOM 0 HA GLU A 84 11.231 -2.899 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.058 -5.406 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.179 -3.840 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.355 -3.520 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.149 -4.352 4.036 1.00 0.00 H new ATOM 1383 N TYR A 85 8.429 -4.194 3.125 1.00 0.00 N ATOM 1384 CA TYR A 85 7.096 -3.858 2.652 1.00 0.00 C ATOM 1385 C TYR A 85 6.047 -4.134 3.727 1.00 0.00 C ATOM 1386 O TYR A 85 4.924 -3.649 3.648 1.00 0.00 O ATOM 1387 CB TYR A 85 6.789 -4.619 1.366 1.00 0.00 C ATOM 1388 CG TYR A 85 7.499 -4.046 0.155 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.814 -3.589 0.240 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.854 -3.959 -1.072 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.458 -3.064 -0.865 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.494 -3.436 -2.180 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.794 -2.991 -2.071 1.00 0.00 C ATOM 1394 OH TYR A 85 9.432 -2.470 -3.173 1.00 0.00 O ATOM 0 H TYR A 85 8.625 -5.194 3.161 1.00 0.00 H new ATOM 0 HA TYR A 85 7.062 -2.791 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.078 -5.663 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.713 -4.605 1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.337 -3.646 1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.835 -4.306 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.476 -2.713 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.978 -3.376 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 85 8.826 -2.491 -3.943 1.00 0.00 H new ATOM 1404 N VAL A 86 6.435 -4.883 4.753 1.00 0.00 N ATOM 1405 CA VAL A 86 5.543 -5.172 5.867 1.00 0.00 C ATOM 1406 C VAL A 86 6.356 -5.357 7.137 1.00 0.00 C ATOM 1407 O VAL A 86 7.043 -6.363 7.311 1.00 0.00 O ATOM 1408 CB VAL A 86 4.672 -6.421 5.652 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.222 -6.031 5.419 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.189 -7.278 4.505 1.00 0.00 C ATOM 0 H VAL A 86 7.362 -5.301 4.835 1.00 0.00 H new ATOM 0 HA VAL A 86 4.869 -4.319 5.947 1.00 0.00 H new ATOM 0 HB VAL A 86 4.729 -7.020 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.623 -6.929 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.848 -5.486 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.153 -5.397 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.547 -8.151 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.185 -6.695 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.206 -7.603 4.724 1.00 0.00 H new ATOM 1420 N ASP A 87 6.264 -4.375 8.011 1.00 0.00 N ATOM 1421 CA ASP A 87 6.987 -4.381 9.277 1.00 0.00 C ATOM 1422 C ASP A 87 6.019 -4.369 10.446 1.00 0.00 C ATOM 1423 O ASP A 87 4.933 -3.803 10.356 1.00 0.00 O ATOM 1424 CB ASP A 87 7.914 -3.161 9.355 1.00 0.00 C ATOM 1425 CG ASP A 87 8.629 -3.050 10.690 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.942 -2.923 11.725 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.878 -3.084 10.700 1.00 0.00 O ATOM 0 H ASP A 87 5.686 -3.547 7.868 1.00 0.00 H new ATOM 0 HA ASP A 87 7.584 -5.291 9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.653 -3.220 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.331 -2.256 9.184 1.00 0.00 H new ATOM 1515 N GLY A 93 4.330 1.339 17.937 1.00 0.00 N ATOM 1516 CA GLY A 93 3.465 0.247 18.343 1.00 0.00 C ATOM 1517 C GLY A 93 2.556 -0.228 17.228 1.00 0.00 C ATOM 1518 O GLY A 93 2.003 -1.322 17.299 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.077 -0.587 18.687 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.857 0.566 19.190 1.00 0.00 H new ATOM 1522 N LYS A 94 2.404 0.596 16.194 1.00 0.00 N ATOM 1523 CA LYS A 94 1.558 0.256 15.054 1.00 0.00 C ATOM 1524 C LYS A 94 2.373 -0.488 14.003 1.00 0.00 C ATOM 1525 O LYS A 94 3.577 -0.687 14.165 1.00 0.00 O ATOM 1526 CB LYS A 94 0.935 1.515 14.433 1.00 0.00 C ATOM 1527 CG LYS A 94 0.921 2.727 15.354 1.00 0.00 C ATOM 1528 CD LYS A 94 2.088 3.658 15.066 1.00 0.00 C ATOM 1529 CE LYS A 94 2.471 4.470 16.294 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.759 5.890 15.953 1.00 0.00 N ATOM 0 H LYS A 94 2.858 1.507 16.123 1.00 0.00 H new ATOM 0 HA LYS A 94 0.752 -0.386 15.410 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.484 1.769 13.526 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.088 1.290 14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.017 3.268 15.231 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.965 2.397 16.392 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.946 3.075 14.732 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.824 4.332 14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.662 4.429 17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.348 4.025 16.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.016 6.409 16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.548 5.931 15.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.915 6.323 15.527 1.00 0.00 H new ATOM 1544 N VAL A 95 1.714 -0.906 12.929 1.00 0.00 N ATOM 1545 CA VAL A 95 2.388 -1.639 11.862 1.00 0.00 C ATOM 1546 C VAL A 95 2.230 -0.936 10.512 1.00 0.00 C ATOM 1547 O VAL A 95 1.117 -0.780 10.008 1.00 0.00 O ATOM 1548 CB VAL A 95 1.855 -3.091 11.768 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.352 -3.128 11.998 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.208 -3.736 10.429 1.00 0.00 C ATOM 0 H VAL A 95 0.718 -0.751 12.773 1.00 0.00 H new ATOM 0 HA VAL A 95 3.449 -1.668 12.109 1.00 0.00 H new ATOM 0 HB VAL A 95 2.343 -3.670 12.552 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.002 -4.157 11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.126 -2.733 12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.147 -2.520 11.243 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.817 -4.753 10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.768 -3.156 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.291 -3.760 10.311 1.00 0.00 H new ATOM 1560 N TYR A 96 3.361 -0.535 9.925 1.00 0.00 N ATOM 1561 CA TYR A 96 3.368 0.130 8.619 1.00 0.00 C ATOM 1562 C TYR A 96 3.894 -0.797 7.534 1.00 0.00 C ATOM 1563 O TYR A 96 4.807 -1.589 7.763 1.00 0.00 O ATOM 1564 CB TYR A 96 4.192 1.426 8.636 1.00 0.00 C ATOM 1565 CG TYR A 96 5.165 1.543 9.786 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.166 0.604 9.985 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.072 2.603 10.675 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.050 0.720 11.043 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.947 2.729 11.732 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.935 1.786 11.914 1.00 0.00 C ATOM 1571 OH TYR A 96 7.809 1.906 12.970 1.00 0.00 O ATOM 0 H TYR A 96 4.287 -0.660 10.335 1.00 0.00 H new ATOM 0 HA TYR A 96 2.333 0.389 8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.746 1.500 7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.508 2.274 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.257 -0.230 9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.299 3.344 10.536 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.825 -0.018 11.187 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.859 3.562 12.414 1.00 0.00 H new ATOM 0 HH TYR A 96 7.592 2.711 13.485 1.00 0.00 H new ATOM 1581 N LEU A 97 3.301 -0.694 6.349 1.00 0.00 N ATOM 1582 CA LEU A 97 3.699 -1.526 5.225 1.00 0.00 C ATOM 1583 C LEU A 97 3.701 -0.732 3.922 1.00 0.00 C ATOM 1584 O LEU A 97 2.899 0.182 3.741 1.00 0.00 O ATOM 1585 CB LEU A 97 2.768 -2.738 5.102 1.00 0.00 C ATOM 1586 CG LEU A 97 1.283 -2.461 5.374 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.035 -2.063 6.824 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.771 -1.379 4.444 1.00 0.00 C ATOM 0 H LEU A 97 2.544 -0.042 6.145 1.00 0.00 H new ATOM 0 HA LEU A 97 4.715 -1.875 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.865 -3.148 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.109 -3.508 5.794 1.00 0.00 H new ATOM 0 HG LEU A 97 0.739 -3.387 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.028 -1.876 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.358 -2.869 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.598 -1.159 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.283 -1.193 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.339 -0.463 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.889 -1.702 3.410 1.00 0.00 H new ATOM 1600 N LYS A 98 4.605 -1.103 3.020 1.00 0.00 N ATOM 1601 CA LYS A 98 4.722 -0.452 1.721 1.00 0.00 C ATOM 1602 C LYS A 98 4.451 -1.460 0.610 1.00 0.00 C ATOM 1603 O LYS A 98 5.090 -2.510 0.548 1.00 0.00 O ATOM 1604 CB LYS A 98 6.120 0.146 1.550 1.00 0.00 C ATOM 1605 CG LYS A 98 6.285 0.956 0.273 1.00 0.00 C ATOM 1606 CD LYS A 98 7.628 1.669 0.235 1.00 0.00 C ATOM 1607 CE LYS A 98 8.727 0.760 -0.293 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.842 0.831 -1.775 1.00 0.00 N ATOM 0 H LYS A 98 5.273 -1.859 3.168 1.00 0.00 H new ATOM 0 HA LYS A 98 3.987 0.351 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.340 0.784 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.854 -0.660 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.197 0.297 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.481 1.688 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.553 2.555 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.888 2.012 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.678 1.041 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.523 -0.268 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.675 0.291 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.987 0.428 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.944 1.824 -2.068 1.00 0.00 H new ATOM 1622 N ALA A 99 3.496 -1.148 -0.260 1.00 0.00 N ATOM 1623 CA ALA A 99 3.146 -2.050 -1.351 1.00 0.00 C ATOM 1624 C ALA A 99 3.159 -1.340 -2.704 1.00 0.00 C ATOM 1625 O ALA A 99 2.701 -0.203 -2.823 1.00 0.00 O ATOM 1626 CB ALA A 99 1.779 -2.667 -1.099 1.00 0.00 C ATOM 0 H ALA A 99 2.954 -0.284 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 99 3.900 -2.836 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.526 -3.339 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.799 -3.227 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.030 -1.878 -1.033 1.00 0.00 H new ATOM 1632 N PRO A 100 3.678 -2.014 -3.749 1.00 0.00 N ATOM 1633 CA PRO A 100 3.744 -1.464 -5.095 1.00 0.00 C ATOM 1634 C PRO A 100 2.509 -1.827 -5.915 1.00 0.00 C ATOM 1635 O PRO A 100 2.192 -3.005 -6.085 1.00 0.00 O ATOM 1636 CB PRO A 100 4.986 -2.150 -5.660 1.00 0.00 C ATOM 1637 CG PRO A 100 5.016 -3.495 -4.999 1.00 0.00 C ATOM 1638 CD PRO A 100 4.242 -3.375 -3.703 1.00 0.00 C ATOM 0 HA PRO A 100 3.786 -0.375 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.927 -2.244 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.888 -1.580 -5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.570 -4.251 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.043 -3.806 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.458 -4.130 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.890 -3.509 -2.837 1.00 0.00 H new ATOM 1646 N MET A 101 1.805 -0.814 -6.409 1.00 0.00 N ATOM 1647 CA MET A 101 0.597 -1.041 -7.196 1.00 0.00 C ATOM 1648 C MET A 101 0.560 -0.149 -8.431 1.00 0.00 C ATOM 1649 O MET A 101 1.395 0.742 -8.594 1.00 0.00 O ATOM 1650 CB MET A 101 -0.644 -0.792 -6.338 1.00 0.00 C ATOM 1651 CG MET A 101 -0.648 0.568 -5.657 1.00 0.00 C ATOM 1652 SD MET A 101 -1.181 0.486 -3.937 1.00 0.00 S ATOM 1653 CE MET A 101 -2.926 0.855 -4.104 1.00 0.00 C ATOM 0 H MET A 101 2.048 0.168 -6.280 1.00 0.00 H new ATOM 0 HA MET A 101 0.606 -2.079 -7.529 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.532 -0.879 -6.964 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.713 -1.570 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.354 0.995 -5.702 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.307 1.242 -6.205 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.479 0.367 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.077 1.933 -4.046 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.285 0.490 -5.066 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.417 -0.395 -9.298 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.572 0.383 -10.521 1.00 0.00 C ATOM 1665 C ILE A 102 -1.789 1.300 -10.439 1.00 0.00 C ATOM 1666 O ILE A 102 -2.930 0.842 -10.468 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.707 -0.535 -11.756 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.572 -1.352 -11.955 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.020 0.282 -13.005 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.743 -0.536 -12.463 1.00 0.00 C ATOM 0 H ILE A 102 -1.115 -1.129 -9.175 1.00 0.00 H new ATOM 0 HA ILE A 102 0.326 0.991 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.535 -1.223 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.847 -1.816 -11.008 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.371 -2.160 -12.659 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.111 -0.385 -13.863 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.957 0.820 -12.863 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.216 0.996 -13.184 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.613 -1.182 -12.580 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.488 -0.094 -13.426 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.972 0.256 -11.749 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.532 2.601 -10.352 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.600 3.592 -10.283 1.00 0.00 C ATOM 1684 C LEU A 103 -2.684 4.352 -11.599 1.00 0.00 C ATOM 1685 O LEU A 103 -1.685 4.499 -12.282 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.372 4.566 -9.125 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.000 4.146 -7.795 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.742 5.198 -6.725 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.494 3.910 -7.966 1.00 0.00 C ATOM 0 H LEU A 103 -0.591 2.994 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.541 3.072 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.299 4.690 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.770 5.541 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.538 3.213 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.196 4.881 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.668 5.319 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.177 6.148 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.927 3.612 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.970 4.828 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.656 3.121 -8.700 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.884 4.814 -11.945 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.132 5.553 -13.195 1.00 0.00 C ATOM 1703 C ASN A 104 -2.884 5.695 -14.080 1.00 0.00 C ATOM 1704 O ASN A 104 -2.171 6.696 -14.011 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.669 6.944 -12.864 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.381 7.585 -14.038 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.782 8.339 -14.806 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.667 7.290 -14.183 1.00 0.00 N ATOM 0 H ASN A 104 -4.717 4.690 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.860 4.972 -13.761 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.356 6.874 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.844 7.583 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.199 7.693 -14.954 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.123 6.660 -13.523 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.650 4.685 -14.922 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.512 4.691 -15.841 1.00 0.00 C ATOM 1717 C GLY A 105 -0.238 5.262 -15.243 1.00 0.00 C ATOM 1718 O GLY A 105 0.389 6.138 -15.836 1.00 0.00 O ATOM 0 H GLY A 105 -3.235 3.852 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.320 3.670 -16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.776 5.269 -16.727 1.00 0.00 H new ATOM 1722 N VAL A 106 0.142 4.762 -14.071 1.00 0.00 N ATOM 1723 CA VAL A 106 1.340 5.220 -13.381 1.00 0.00 C ATOM 1724 C VAL A 106 1.740 4.231 -12.290 1.00 0.00 C ATOM 1725 O VAL A 106 0.883 3.642 -11.630 1.00 0.00 O ATOM 1726 CB VAL A 106 1.124 6.609 -12.735 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.274 6.963 -11.802 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.949 7.679 -13.798 1.00 0.00 C ATOM 0 H VAL A 106 -0.370 4.032 -13.576 1.00 0.00 H new ATOM 0 HA VAL A 106 2.132 5.293 -14.126 1.00 0.00 H new ATOM 0 HB VAL A 106 0.210 6.563 -12.143 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.096 7.944 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.343 6.217 -11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.207 6.982 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.799 8.647 -13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.840 7.719 -14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.082 7.441 -14.415 1.00 0.00 H new ATOM 1738 N CYS A 107 3.042 4.070 -12.087 1.00 0.00 N ATOM 1739 CA CYS A 107 3.542 3.172 -11.056 1.00 0.00 C ATOM 1740 C CYS A 107 3.468 3.862 -9.699 1.00 0.00 C ATOM 1741 O CYS A 107 4.070 4.918 -9.500 1.00 0.00 O ATOM 1742 CB CYS A 107 4.983 2.757 -11.360 1.00 0.00 C ATOM 1743 SG CYS A 107 6.139 4.142 -11.445 1.00 0.00 S ATOM 0 H CYS A 107 3.768 4.548 -12.621 1.00 0.00 H new ATOM 0 HA CYS A 107 2.924 2.274 -11.037 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.320 2.061 -10.592 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.004 2.220 -12.308 1.00 0.00 H new ATOM 0 HG CYS A 107 5.758 5.076 -10.625 1.00 0.00 H new ATOM 1749 N VAL A 108 2.711 3.282 -8.775 1.00 0.00 N ATOM 1750 CA VAL A 108 2.549 3.875 -7.454 1.00 0.00 C ATOM 1751 C VAL A 108 2.872 2.888 -6.338 1.00 0.00 C ATOM 1752 O VAL A 108 3.076 1.698 -6.577 1.00 0.00 O ATOM 1753 CB VAL A 108 1.119 4.402 -7.256 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.831 5.533 -8.234 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.112 3.274 -7.418 1.00 0.00 C ATOM 0 H VAL A 108 2.203 2.408 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 108 3.256 4.703 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 108 1.028 4.796 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.185 5.896 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.536 6.347 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.936 5.167 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.896 3.663 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.199 2.850 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.311 2.500 -6.677 1.00 0.00 H new ATOM 1765 N ILE A 109 2.919 3.407 -5.117 1.00 0.00 N ATOM 1766 CA ILE A 109 3.221 2.602 -3.943 1.00 0.00 C ATOM 1767 C ILE A 109 2.490 3.138 -2.715 1.00 0.00 C ATOM 1768 O ILE A 109 2.803 4.225 -2.227 1.00 0.00 O ATOM 1769 CB ILE A 109 4.733 2.596 -3.643 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.541 2.410 -4.934 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.066 1.506 -2.634 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.023 2.208 -4.700 1.00 0.00 C ATOM 0 H ILE A 109 2.750 4.392 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 109 2.889 1.587 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 109 5.005 3.559 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.148 1.551 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.398 3.283 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.137 1.513 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.520 1.688 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.780 0.535 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.529 2.084 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.432 3.077 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.177 1.318 -4.090 1.00 0.00 H new ATOM 1784 N TRP A 110 1.525 2.376 -2.212 1.00 0.00 N ATOM 1785 CA TRP A 110 0.773 2.793 -1.034 1.00 0.00 C ATOM 1786 C TRP A 110 1.387 2.210 0.228 1.00 0.00 C ATOM 1787 O TRP A 110 1.631 1.006 0.312 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.695 2.370 -1.130 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.518 2.869 0.021 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.363 3.943 0.019 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.564 2.326 1.349 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.929 4.102 1.262 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.455 3.122 2.094 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.940 1.243 1.983 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.736 2.872 3.436 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.221 1.001 3.312 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.109 1.809 4.027 1.00 0.00 C ATOM 0 H TRP A 110 1.247 1.474 -2.598 1.00 0.00 H new ATOM 0 HA TRP A 110 0.818 3.881 -0.988 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.117 2.745 -2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.754 1.282 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.558 4.575 -0.835 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.593 4.831 1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.252 0.610 1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.424 3.495 3.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.745 0.170 3.810 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.304 1.590 5.066 1.00 0.00 H new ATOM 1808 N LYS A 111 1.631 3.064 1.214 1.00 0.00 N ATOM 1809 CA LYS A 111 2.210 2.615 2.469 1.00 0.00 C ATOM 1810 C LYS A 111 1.671 3.420 3.647 1.00 0.00 C ATOM 1811 O LYS A 111 1.378 4.611 3.521 1.00 0.00 O ATOM 1812 CB LYS A 111 3.738 2.702 2.422 1.00 0.00 C ATOM 1813 CG LYS A 111 4.276 4.120 2.506 1.00 0.00 C ATOM 1814 CD LYS A 111 4.045 4.874 1.208 1.00 0.00 C ATOM 1815 CE LYS A 111 5.225 5.772 0.868 1.00 0.00 C ATOM 1816 NZ LYS A 111 6.111 5.158 -0.159 1.00 0.00 N ATOM 0 H LYS A 111 1.438 4.064 1.168 1.00 0.00 H new ATOM 0 HA LYS A 111 1.923 1.573 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.151 2.118 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.090 2.244 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.791 4.648 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.343 4.094 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.881 4.164 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.140 5.476 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.858 6.732 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.801 5.973 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.769 5.876 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.651 4.379 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.533 4.790 -0.941 1.00 0.00 H new ATOM 1830 N GLY A 112 1.544 2.757 4.787 1.00 0.00 N ATOM 1831 CA GLY A 112 1.042 3.413 5.982 1.00 0.00 C ATOM 1832 C GLY A 112 0.907 2.456 7.148 1.00 0.00 C ATOM 1833 O GLY A 112 0.921 1.238 6.958 1.00 0.00 O ATOM 0 H GLY A 112 1.780 1.772 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.714 4.226 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.072 3.861 5.768 1.00 0.00 H new ATOM 1837 N TRP A 113 0.774 2.996 8.358 1.00 0.00 N ATOM 1838 CA TRP A 113 0.637 2.159 9.544 1.00 0.00 C ATOM 1839 C TRP A 113 -0.751 2.265 10.154 1.00 0.00 C ATOM 1840 O TRP A 113 -1.416 3.297 10.059 1.00 0.00 O ATOM 1841 CB TRP A 113 1.687 2.512 10.604 1.00 0.00 C ATOM 1842 CG TRP A 113 1.574 3.906 11.141 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.402 4.958 10.867 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.590 4.399 12.059 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.985 6.076 11.549 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.876 5.758 12.287 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.509 3.826 12.706 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.105 6.550 13.135 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.272 4.614 13.547 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.962 5.963 13.754 1.00 0.00 C ATOM 0 H TRP A 113 0.758 3.999 8.540 1.00 0.00 H new ATOM 0 HA TRP A 113 0.795 1.132 9.216 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.602 1.808 11.432 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.680 2.380 10.174 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.259 4.917 10.211 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.429 6.993 11.512 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.757 2.786 12.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.342 7.591 13.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.122 4.181 14.053 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.579 6.552 14.417 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.162 1.185 10.806 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.454 1.127 11.474 1.00 0.00 C ATOM 1863 C ILE A 114 -2.258 0.681 12.911 1.00 0.00 C ATOM 1864 O ILE A 114 -1.338 -0.083 13.206 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.452 0.164 10.781 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.724 -0.903 9.947 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.432 0.948 9.924 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.074 -0.365 8.688 1.00 0.00 C ATOM 0 H ILE A 114 -0.612 0.330 10.886 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.881 2.129 11.427 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.009 -0.359 11.559 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.960 -1.373 10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.435 -1.682 9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.127 0.259 9.443 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.988 1.645 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.885 1.503 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.582 -1.179 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.835 0.079 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.337 0.392 8.954 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.117 1.147 13.807 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.003 0.771 15.204 1.00 0.00 C ATOM 1882 C ASP A 115 -3.729 -0.551 15.437 1.00 0.00 C ATOM 1883 O ASP A 115 -4.856 -0.746 14.981 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.535 1.887 16.112 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.008 1.757 16.431 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.833 1.930 15.514 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.332 1.485 17.603 1.00 0.00 O ATOM 0 H ASP A 115 -3.890 1.778 13.593 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.952 0.631 15.458 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.969 1.887 17.043 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.359 2.850 15.632 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.045 -1.467 16.107 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.572 -2.802 16.365 1.00 0.00 C ATOM 1894 C LEU A 116 -4.655 -2.835 17.446 1.00 0.00 C ATOM 1895 O LEU A 116 -4.997 -3.908 17.944 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.420 -3.723 16.754 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.159 -3.557 15.893 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.018 -3.099 16.739 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.827 -4.851 15.161 1.00 0.00 C ATOM 0 H LEU A 116 -2.112 -1.308 16.487 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.051 -3.142 15.447 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.160 -3.540 17.797 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.758 -4.757 16.686 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.360 -2.788 15.147 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.899 -2.989 16.107 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.218 -2.141 17.203 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.218 -3.838 17.515 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.070 -4.708 14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.653 -5.645 15.887 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.659 -5.127 14.514 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.206 -1.681 17.801 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.257 -1.632 18.810 1.00 0.00 C ATOM 1913 C HIS A 117 -7.551 -1.108 18.200 1.00 0.00 C ATOM 1914 O HIS A 117 -8.584 -1.777 18.218 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.838 -0.741 19.984 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.390 -0.860 20.348 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.955 -1.347 21.563 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.272 -0.551 19.648 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.635 -1.329 21.596 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.196 -0.852 20.447 1.00 0.00 N ATOM 0 H HIS A 117 -4.946 -0.775 17.410 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.422 -2.644 19.180 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.056 0.298 19.735 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.444 -0.994 20.854 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.234 -0.144 18.648 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.019 -1.650 22.423 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.216 -0.727 20.193 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.474 0.100 17.665 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.617 0.756 17.041 1.00 0.00 C ATOM 1931 C ARG A 118 -8.714 0.405 15.557 1.00 0.00 C ATOM 1932 O ARG A 118 -9.800 0.431 14.978 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.510 2.275 17.209 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.788 2.710 18.479 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.761 2.932 19.627 1.00 0.00 C ATOM 1936 NE ARG A 118 -8.773 4.323 20.073 1.00 0.00 N ATOM 1937 CZ ARG A 118 -9.530 4.775 21.070 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -10.337 3.950 21.726 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -9.480 6.055 21.412 1.00 0.00 N ATOM 0 H ARG A 118 -6.618 0.655 17.650 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.520 0.400 17.536 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.988 2.690 16.347 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.513 2.702 17.210 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.058 1.951 18.761 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.235 3.629 18.287 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.764 2.643 19.313 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.490 2.286 20.462 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.166 4.987 19.592 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -10.379 2.964 21.467 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -10.915 4.302 22.489 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.862 6.693 20.911 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.060 6.402 22.176 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.567 0.094 14.949 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.496 -0.252 13.526 1.00 0.00 C ATOM 1955 C LEU A 119 -7.461 1.003 12.659 1.00 0.00 C ATOM 1956 O LEU A 119 -7.918 1.005 11.515 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.673 -1.128 13.108 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.967 -2.323 14.024 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.814 -3.354 13.296 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.675 -2.955 14.524 1.00 0.00 C ATOM 0 H LEU A 119 -6.665 0.075 15.425 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.573 -0.813 13.377 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.566 -0.505 13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.485 -1.502 12.102 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.525 -1.960 14.887 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.014 -4.195 13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.757 -2.900 12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.279 -3.707 12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.910 -3.800 15.171 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.087 -3.302 13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.102 -2.217 15.085 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.909 2.064 13.217 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.791 3.336 12.516 1.00 0.00 C ATOM 1974 C ASP A 120 -5.381 3.892 12.670 1.00 0.00 C ATOM 1975 O ASP A 120 -4.761 3.745 13.724 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.814 4.339 13.053 1.00 0.00 C ATOM 1977 CG ASP A 120 -7.822 4.401 14.568 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -6.731 4.521 15.163 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -8.920 4.328 15.159 1.00 0.00 O ATOM 0 H ASP A 120 -6.530 2.073 14.164 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.991 3.169 11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.593 5.329 12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.808 4.066 12.698 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.871 4.527 11.619 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.532 5.081 11.678 1.00 0.00 C ATOM 1986 C GLY A 121 -3.282 6.148 10.632 1.00 0.00 C ATOM 1987 O GLY A 121 -4.164 6.951 10.329 1.00 0.00 O ATOM 0 H GLY A 121 -5.358 4.667 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.364 5.505 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.807 4.277 11.549 1.00 0.00 H new ATOM 1991 N MET A 122 -2.070 6.158 10.085 1.00 0.00 N ATOM 1992 CA MET A 122 -1.694 7.139 9.073 1.00 0.00 C ATOM 1993 C MET A 122 -1.223 6.455 7.794 1.00 0.00 C ATOM 1994 O MET A 122 -0.464 5.487 7.837 1.00 0.00 O ATOM 1995 CB MET A 122 -0.591 8.054 9.605 1.00 0.00 C ATOM 1996 CG MET A 122 -1.009 8.870 10.817 1.00 0.00 C ATOM 1997 SD MET A 122 -0.483 10.590 10.713 1.00 0.00 S ATOM 1998 CE MET A 122 -2.048 11.427 10.939 1.00 0.00 C ATOM 0 H MET A 122 -1.331 5.497 10.326 1.00 0.00 H new ATOM 0 HA MET A 122 -2.576 7.736 8.841 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.277 7.449 9.867 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.279 8.732 8.811 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.094 8.832 10.919 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.588 8.419 11.716 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.315 11.953 10.023 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.821 10.696 11.175 1.00 0.00 H new ATOM 0 HE3 MET A 122 -1.963 12.143 11.757 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.678 6.970 6.657 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.292 6.402 5.379 1.00 0.00 C ATOM 2010 C GLY A 123 -0.701 7.437 4.446 1.00 0.00 C ATOM 2011 O GLY A 123 -0.680 8.627 4.761 1.00 0.00 O ATOM 0 H GLY A 123 -2.307 7.771 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.565 5.606 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.163 5.947 4.908 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.218 6.986 3.294 1.00 0.00 N ATOM 2016 CA CYS A 124 0.378 7.886 2.316 1.00 0.00 C ATOM 2017 C CYS A 124 0.710 7.149 1.024 1.00 0.00 C ATOM 2018 O CYS A 124 0.999 5.952 1.035 1.00 0.00 O ATOM 2019 CB CYS A 124 1.644 8.526 2.890 1.00 0.00 C ATOM 2020 SG CYS A 124 2.992 7.360 3.196 1.00 0.00 S ATOM 0 H CYS A 124 -0.228 6.005 3.015 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.348 8.666 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.993 9.295 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.392 9.027 3.825 1.00 0.00 H new ATOM 0 HG CYS A 124 2.499 6.209 3.544 1.00 0.00 H new ATOM 2026 N LEU A 125 0.675 7.874 -0.090 1.00 0.00 N ATOM 2027 CA LEU A 125 0.983 7.286 -1.391 1.00 0.00 C ATOM 2028 C LEU A 125 2.340 7.779 -1.890 1.00 0.00 C ATOM 2029 O LEU A 125 2.836 8.813 -1.445 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.108 7.630 -2.409 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.348 6.732 -2.369 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.392 7.212 -3.371 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.968 5.286 -2.645 1.00 0.00 C ATOM 0 H LEU A 125 0.438 8.866 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 125 1.023 6.203 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.421 8.661 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.323 7.582 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.781 6.790 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.265 6.561 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.688 8.232 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.971 7.186 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.861 4.662 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.510 5.212 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.260 4.945 -1.889 1.00 0.00 H new ATOM 2045 N GLU A 126 2.940 7.032 -2.810 1.00 0.00 N ATOM 2046 CA GLU A 126 4.237 7.394 -3.364 1.00 0.00 C ATOM 2047 C GLU A 126 4.361 6.881 -4.792 1.00 0.00 C ATOM 2048 O GLU A 126 3.668 5.945 -5.181 1.00 0.00 O ATOM 2049 CB GLU A 126 5.366 6.823 -2.504 1.00 0.00 C ATOM 2050 CG GLU A 126 6.633 7.663 -2.530 1.00 0.00 C ATOM 2051 CD GLU A 126 6.796 8.509 -1.283 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.007 7.930 -0.196 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.713 9.750 -1.392 1.00 0.00 O ATOM 0 H GLU A 126 2.547 6.170 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 126 4.318 8.481 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.019 6.735 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.600 5.816 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.497 7.007 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.617 8.312 -3.406 1.00 0.00 H new ATOM 2060 N PHE A 127 5.239 7.492 -5.574 1.00 0.00 N ATOM 2061 CA PHE A 127 5.436 7.076 -6.948 1.00 0.00 C ATOM 2062 C PHE A 127 6.762 6.327 -7.078 1.00 0.00 C ATOM 2063 O PHE A 127 7.719 6.617 -6.360 1.00 0.00 O ATOM 2064 CB PHE A 127 5.382 8.302 -7.866 1.00 0.00 C ATOM 2065 CG PHE A 127 6.115 8.138 -9.159 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.492 8.169 -9.184 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.426 7.957 -10.345 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.179 8.020 -10.371 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.105 7.807 -11.536 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.486 7.840 -11.550 1.00 0.00 C ATOM 0 H PHE A 127 5.823 8.275 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 127 4.641 6.394 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.339 8.534 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.796 9.158 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.040 8.312 -8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.346 7.933 -10.338 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.259 8.044 -10.377 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.558 7.664 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.021 7.725 -12.481 1.00 0.00 H new ATOM 2080 N ASP A 128 6.808 5.354 -7.982 1.00 0.00 N ATOM 2081 CA ASP A 128 8.014 4.559 -8.181 1.00 0.00 C ATOM 2082 C ASP A 128 8.931 5.184 -9.230 1.00 0.00 C ATOM 2083 O ASP A 128 8.623 5.179 -10.419 1.00 0.00 O ATOM 2084 CB ASP A 128 7.642 3.134 -8.600 1.00 0.00 C ATOM 2085 CG ASP A 128 8.471 2.086 -7.886 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.658 2.358 -7.606 1.00 0.00 O ATOM 2087 OD2 ASP A 128 7.934 0.994 -7.605 1.00 0.00 O ATOM 0 H ASP A 128 6.027 5.098 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 128 8.553 4.532 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.586 2.961 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.777 3.028 -9.676 1.00 0.00 H new ATOM 2092 N GLU A 129 10.064 5.716 -8.781 1.00 0.00 N ATOM 2093 CA GLU A 129 11.030 6.337 -9.682 1.00 0.00 C ATOM 2094 C GLU A 129 12.050 5.314 -10.178 1.00 0.00 C ATOM 2095 O GLU A 129 12.646 5.485 -11.242 1.00 0.00 O ATOM 2096 CB GLU A 129 11.747 7.495 -8.980 1.00 0.00 C ATOM 2097 CG GLU A 129 11.153 8.862 -9.288 1.00 0.00 C ATOM 2098 CD GLU A 129 12.052 10.001 -8.850 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.737 9.852 -7.817 1.00 0.00 O ATOM 2100 OE2 GLU A 129 12.070 11.042 -9.540 1.00 0.00 O ATOM 0 H GLU A 129 10.336 5.730 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 129 10.486 6.726 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.716 7.330 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.797 7.491 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.969 8.941 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.187 8.955 -8.791 1.00 0.00 H new