USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 568 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 67 CYS SG : rot 142:sc= 2.14 USER MOD Set 1.2: A 70 CYS SG : rot -39:sc= 1.34 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.725 K(o=4.3,f=-2.2) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.0839 K(o=4.3,f=-2.6) USER MOD Set 2.1: A 47 SER OG : rot 100:sc= 0.339 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.141 K(o=0.48,f=-0.72) USER MOD Set 3.1: A 40 CYS SG : rot 122:sc= 2.11 USER MOD Set 3.2: A 43 CYS SG : rot -42:sc= 1.12 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.424 K(o=4.1,f=-2.1) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.419 K(o=4.1,f=-1.6) USER MOD Set 4.1: A 12 CYS SG : rot 152:sc= 1.99 USER MOD Set 4.2: A 15 CYS SG : rot -44:sc= 2.2 USER MOD Set 4.3: A 17 LYS NZ :NH3+ 162:sc= 1.38 (180deg=-0.257) USER MOD Set 4.4: A 28 HIS : no HE2:sc= 0.14 K(o=5.7,f=2.4) USER MOD Set 5.1: A 23 HIS : no HD1:sc=-0.00543 X(o=-0.0054,f=-0.025) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.8) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0757 X(o=-0.076,f=-0.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00742 X(o=-0.0074,f=-0.0074) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 101:sc= 0.166 USER MOD Single : A 76 SER OG : rot 180:sc= 0.112 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.341 K(o=0.34,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 12.480 16.676 -16.165 1.00 0.00 N ATOM 110 CA PHE A 10 12.301 15.422 -15.422 1.00 0.00 C ATOM 111 C PHE A 10 13.442 14.430 -15.704 1.00 0.00 C ATOM 112 O PHE A 10 13.518 13.867 -16.796 1.00 0.00 O ATOM 113 CB PHE A 10 10.920 14.843 -15.786 1.00 0.00 C ATOM 114 CG PHE A 10 9.758 15.773 -15.488 1.00 0.00 C ATOM 115 CD1 PHE A 10 9.174 15.784 -14.207 1.00 0.00 C ATOM 116 CD2 PHE A 10 9.273 16.641 -16.484 1.00 0.00 C ATOM 117 CE1 PHE A 10 8.106 16.654 -13.928 1.00 0.00 C ATOM 118 CE2 PHE A 10 8.202 17.509 -16.206 1.00 0.00 C ATOM 119 CZ PHE A 10 7.616 17.511 -14.929 1.00 0.00 C ATOM 0 HA PHE A 10 12.338 15.615 -14.350 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.910 14.596 -16.848 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.774 13.911 -15.240 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.547 15.123 -13.438 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.725 16.641 -17.465 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.661 16.664 -12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.831 18.173 -16.973 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.788 18.171 -14.716 1.00 0.00 H new ATOM 129 N THR A 11 14.324 14.188 -14.727 1.00 0.00 N ATOM 130 CA THR A 11 15.535 13.354 -14.890 1.00 0.00 C ATOM 131 C THR A 11 15.549 12.154 -13.930 1.00 0.00 C ATOM 132 O THR A 11 15.257 12.292 -12.740 1.00 0.00 O ATOM 133 CB THR A 11 16.806 14.212 -14.736 1.00 0.00 C ATOM 134 OG1 THR A 11 16.753 15.324 -15.604 1.00 0.00 O ATOM 135 CG2 THR A 11 18.103 13.464 -15.042 1.00 0.00 C ATOM 0 H THR A 11 14.221 14.568 -13.786 1.00 0.00 H new ATOM 0 HA THR A 11 15.517 12.943 -15.900 1.00 0.00 H new ATOM 0 HB THR A 11 16.821 14.508 -13.687 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.565 15.862 -15.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.951 14.137 -14.911 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.203 12.617 -14.363 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.081 13.104 -16.071 1.00 0.00 H new ATOM 143 N CYS A 12 15.913 10.979 -14.453 1.00 0.00 N ATOM 144 CA CYS A 12 16.067 9.712 -13.743 1.00 0.00 C ATOM 145 C CYS A 12 17.266 9.745 -12.780 1.00 0.00 C ATOM 146 O CYS A 12 18.382 10.113 -13.157 1.00 0.00 O ATOM 147 CB CYS A 12 16.200 8.614 -14.810 1.00 0.00 C ATOM 148 SG CYS A 12 16.403 6.982 -14.041 1.00 0.00 S ATOM 0 H CYS A 12 16.120 10.885 -15.447 1.00 0.00 H new ATOM 0 HA CYS A 12 15.201 9.513 -13.112 1.00 0.00 H new ATOM 0 HB2 CYS A 12 15.316 8.612 -15.448 1.00 0.00 H new ATOM 0 HB3 CYS A 12 17.055 8.827 -15.452 1.00 0.00 H new ATOM 0 HG CYS A 12 15.928 6.067 -14.833 1.00 0.00 H new ATOM 153 N GLU A 13 17.045 9.328 -11.533 1.00 0.00 N ATOM 154 CA GLU A 13 18.092 9.246 -10.503 1.00 0.00 C ATOM 155 C GLU A 13 18.947 7.963 -10.592 1.00 0.00 C ATOM 156 O GLU A 13 19.956 7.849 -9.891 1.00 0.00 O ATOM 157 CB GLU A 13 17.473 9.441 -9.107 1.00 0.00 C ATOM 158 CG GLU A 13 16.545 8.302 -8.664 1.00 0.00 C ATOM 159 CD GLU A 13 15.953 8.593 -7.271 1.00 0.00 C ATOM 160 OE1 GLU A 13 16.615 8.290 -6.248 1.00 0.00 O ATOM 161 OE2 GLU A 13 14.827 9.141 -7.186 1.00 0.00 O ATOM 0 H GLU A 13 16.126 9.034 -11.202 1.00 0.00 H new ATOM 0 HA GLU A 13 18.794 10.059 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.276 9.544 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.912 10.376 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.740 8.179 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.099 7.363 -8.641 1.00 0.00 H new ATOM 168 N TYR A 14 18.565 7.006 -11.449 1.00 0.00 N ATOM 169 CA TYR A 14 19.200 5.684 -11.552 1.00 0.00 C ATOM 170 C TYR A 14 20.091 5.518 -12.798 1.00 0.00 C ATOM 171 O TYR A 14 21.098 4.807 -12.723 1.00 0.00 O ATOM 172 CB TYR A 14 18.113 4.603 -11.534 1.00 0.00 C ATOM 173 CG TYR A 14 17.221 4.579 -10.306 1.00 0.00 C ATOM 174 CD1 TYR A 14 17.646 3.906 -9.142 1.00 0.00 C ATOM 175 CD2 TYR A 14 15.948 5.181 -10.345 1.00 0.00 C ATOM 176 CE1 TYR A 14 16.798 3.829 -8.021 1.00 0.00 C ATOM 177 CE2 TYR A 14 15.095 5.102 -9.224 1.00 0.00 C ATOM 178 CZ TYR A 14 15.517 4.424 -8.061 1.00 0.00 C ATOM 179 OH TYR A 14 14.683 4.344 -6.987 1.00 0.00 O ATOM 0 H TYR A 14 17.792 7.131 -12.102 1.00 0.00 H new ATOM 0 HA TYR A 14 19.864 5.582 -10.694 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.483 4.734 -12.414 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.594 3.630 -11.628 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.624 3.449 -9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.625 5.703 -11.233 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.127 3.315 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.118 5.561 -9.256 1.00 0.00 H new ATOM 0 HH TYR A 14 13.844 4.809 -7.189 1.00 0.00 H new ATOM 189 N CYS A 15 19.747 6.164 -13.924 1.00 0.00 N ATOM 190 CA CYS A 15 20.502 6.099 -15.190 1.00 0.00 C ATOM 191 C CYS A 15 20.761 7.467 -15.870 1.00 0.00 C ATOM 192 O CYS A 15 21.305 7.521 -16.978 1.00 0.00 O ATOM 193 CB CYS A 15 19.869 5.052 -16.121 1.00 0.00 C ATOM 194 SG CYS A 15 18.251 5.566 -16.734 1.00 0.00 S ATOM 0 H CYS A 15 18.920 6.758 -13.983 1.00 0.00 H new ATOM 0 HA CYS A 15 21.511 5.771 -14.941 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.534 4.871 -16.966 1.00 0.00 H new ATOM 0 HB3 CYS A 15 19.769 4.107 -15.586 1.00 0.00 H new ATOM 0 HG CYS A 15 17.555 6.065 -15.756 1.00 0.00 H new ATOM 199 N ASN A 16 20.418 8.576 -15.199 1.00 0.00 N ATOM 200 CA ASN A 16 20.646 9.966 -15.630 1.00 0.00 C ATOM 201 C ASN A 16 19.992 10.369 -16.977 1.00 0.00 C ATOM 202 O ASN A 16 20.342 11.401 -17.559 1.00 0.00 O ATOM 203 CB ASN A 16 22.151 10.293 -15.518 1.00 0.00 C ATOM 204 CG ASN A 16 22.459 11.785 -15.462 1.00 0.00 C ATOM 205 OD1 ASN A 16 21.695 12.601 -14.963 1.00 0.00 O ATOM 206 ND2 ASN A 16 23.621 12.189 -15.928 1.00 0.00 N ATOM 0 H ASN A 16 19.950 8.527 -14.294 1.00 0.00 H new ATOM 0 HA ASN A 16 20.101 10.612 -14.941 1.00 0.00 H new ATOM 0 HB2 ASN A 16 22.550 9.816 -14.623 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.672 9.857 -16.371 1.00 0.00 H new ATOM 0 HD21 ASN A 16 23.878 13.174 -15.872 1.00 0.00 H new ATOM 0 HD22 ASN A 16 24.265 11.517 -16.346 1.00 0.00 H new ATOM 213 N LYS A 17 19.024 9.587 -17.479 1.00 0.00 N ATOM 214 CA LYS A 17 18.174 9.960 -18.623 1.00 0.00 C ATOM 215 C LYS A 17 17.237 11.101 -18.253 1.00 0.00 C ATOM 216 O LYS A 17 16.718 11.143 -17.140 1.00 0.00 O ATOM 217 CB LYS A 17 17.331 8.771 -19.089 1.00 0.00 C ATOM 218 CG LYS A 17 18.162 7.732 -19.835 1.00 0.00 C ATOM 219 CD LYS A 17 17.274 6.510 -20.108 1.00 0.00 C ATOM 220 CE LYS A 17 18.037 5.281 -20.599 1.00 0.00 C ATOM 221 NZ LYS A 17 19.091 4.854 -19.637 1.00 0.00 N ATOM 0 H LYS A 17 18.806 8.666 -17.098 1.00 0.00 H new ATOM 0 HA LYS A 17 18.838 10.276 -19.428 1.00 0.00 H new ATOM 0 HB2 LYS A 17 16.857 8.303 -18.226 1.00 0.00 H new ATOM 0 HB3 LYS A 17 16.531 9.127 -19.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.536 8.146 -20.771 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.031 7.445 -19.243 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.740 6.251 -19.194 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.523 6.779 -20.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.338 4.460 -20.758 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.495 5.501 -21.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.371 3.874 -19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.919 5.477 -19.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.720 4.913 -18.667 1.00 0.00 H new ATOM 235 N VAL A 18 16.980 11.988 -19.205 1.00 0.00 N ATOM 236 CA VAL A 18 16.123 13.171 -19.028 1.00 0.00 C ATOM 237 C VAL A 18 14.996 13.232 -20.062 1.00 0.00 C ATOM 238 O VAL A 18 15.179 12.925 -21.243 1.00 0.00 O ATOM 239 CB VAL A 18 16.963 14.457 -18.910 1.00 0.00 C ATOM 240 CG1 VAL A 18 17.992 14.657 -20.021 1.00 0.00 C ATOM 241 CG2 VAL A 18 16.099 15.715 -18.815 1.00 0.00 C ATOM 0 H VAL A 18 17.366 11.911 -20.146 1.00 0.00 H new ATOM 0 HA VAL A 18 15.604 13.077 -18.074 1.00 0.00 H new ATOM 0 HB VAL A 18 17.511 14.308 -17.979 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.534 15.588 -19.852 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.694 13.823 -20.021 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.483 14.703 -20.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.741 16.592 -18.734 1.00 0.00 H new ATOM 0 HG22 VAL A 18 15.480 15.800 -19.708 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.459 15.651 -17.935 1.00 0.00 H new ATOM 251 N PHE A 19 13.814 13.617 -19.579 1.00 0.00 N ATOM 252 CA PHE A 19 12.518 13.571 -20.249 1.00 0.00 C ATOM 253 C PHE A 19 11.807 14.933 -20.136 1.00 0.00 C ATOM 254 O PHE A 19 11.961 15.657 -19.145 1.00 0.00 O ATOM 255 CB PHE A 19 11.682 12.440 -19.615 1.00 0.00 C ATOM 256 CG PHE A 19 12.344 11.067 -19.635 1.00 0.00 C ATOM 257 CD1 PHE A 19 13.164 10.660 -18.561 1.00 0.00 C ATOM 258 CD2 PHE A 19 12.174 10.206 -20.736 1.00 0.00 C ATOM 259 CE1 PHE A 19 13.826 9.419 -18.599 1.00 0.00 C ATOM 260 CE2 PHE A 19 12.841 8.965 -20.775 1.00 0.00 C ATOM 261 CZ PHE A 19 13.677 8.573 -19.713 1.00 0.00 C ATOM 0 H PHE A 19 13.734 13.998 -18.636 1.00 0.00 H new ATOM 0 HA PHE A 19 12.648 13.365 -21.312 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.461 12.706 -18.581 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.728 12.375 -20.138 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.284 11.306 -17.704 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.531 10.497 -21.553 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.450 9.115 -17.771 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.710 8.311 -21.625 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.201 7.629 -19.753 1.00 0.00 H new ATOM 271 N LYS A 20 11.003 15.286 -21.149 1.00 0.00 N ATOM 272 CA LYS A 20 10.293 16.581 -21.221 1.00 0.00 C ATOM 273 C LYS A 20 9.025 16.648 -20.356 1.00 0.00 C ATOM 274 O LYS A 20 8.546 17.745 -20.070 1.00 0.00 O ATOM 275 CB LYS A 20 9.963 16.917 -22.687 1.00 0.00 C ATOM 276 CG LYS A 20 11.229 17.134 -23.536 1.00 0.00 C ATOM 277 CD LYS A 20 10.925 17.676 -24.941 1.00 0.00 C ATOM 278 CE LYS A 20 10.093 16.697 -25.782 1.00 0.00 C ATOM 279 NZ LYS A 20 9.870 17.216 -27.158 1.00 0.00 N ATOM 0 H LYS A 20 10.823 14.680 -21.949 1.00 0.00 H new ATOM 0 HA LYS A 20 10.972 17.327 -20.808 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.373 16.109 -23.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.347 17.815 -22.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.891 17.829 -23.020 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.766 16.190 -23.625 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.389 18.621 -24.854 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.862 17.887 -25.456 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.603 15.735 -25.833 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.132 16.524 -25.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.305 16.531 -27.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.362 18.122 -27.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.787 17.358 -27.628 1.00 0.00 H new ATOM 293 N PHE A 21 8.491 15.496 -19.937 1.00 0.00 N ATOM 294 CA PHE A 21 7.199 15.373 -19.252 1.00 0.00 C ATOM 295 C PHE A 21 7.250 14.403 -18.062 1.00 0.00 C ATOM 296 O PHE A 21 8.004 13.424 -18.071 1.00 0.00 O ATOM 297 CB PHE A 21 6.128 14.923 -20.259 1.00 0.00 C ATOM 298 CG PHE A 21 6.036 15.767 -21.520 1.00 0.00 C ATOM 299 CD1 PHE A 21 5.553 17.089 -21.454 1.00 0.00 C ATOM 300 CD2 PHE A 21 6.452 15.238 -22.758 1.00 0.00 C ATOM 301 CE1 PHE A 21 5.494 17.879 -22.617 1.00 0.00 C ATOM 302 CE2 PHE A 21 6.389 16.027 -23.921 1.00 0.00 C ATOM 303 CZ PHE A 21 5.914 17.349 -23.851 1.00 0.00 C ATOM 0 H PHE A 21 8.958 14.599 -20.068 1.00 0.00 H new ATOM 0 HA PHE A 21 6.946 16.353 -18.847 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.331 13.891 -20.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.158 14.932 -19.763 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.227 17.497 -20.509 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.820 14.224 -22.814 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.126 18.893 -22.562 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.706 15.617 -24.869 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.872 17.956 -24.743 1.00 0.00 H new ATOM 313 N LYS A 22 6.395 14.644 -17.059 1.00 0.00 N ATOM 314 CA LYS A 22 6.327 13.855 -15.817 1.00 0.00 C ATOM 315 C LYS A 22 5.946 12.397 -16.071 1.00 0.00 C ATOM 316 O LYS A 22 6.595 11.496 -15.547 1.00 0.00 O ATOM 317 CB LYS A 22 5.351 14.537 -14.843 1.00 0.00 C ATOM 318 CG LYS A 22 5.462 13.974 -13.417 1.00 0.00 C ATOM 319 CD LYS A 22 4.532 14.731 -12.460 1.00 0.00 C ATOM 320 CE LYS A 22 4.695 14.200 -11.031 1.00 0.00 C ATOM 321 NZ LYS A 22 3.790 14.897 -10.080 1.00 0.00 N ATOM 0 H LYS A 22 5.718 15.406 -17.087 1.00 0.00 H new ATOM 0 HA LYS A 22 7.321 13.825 -15.371 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.549 15.609 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.331 14.407 -15.204 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.206 12.914 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.492 14.053 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.759 15.797 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.497 14.617 -12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.487 13.130 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.729 14.329 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.928 14.512 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.006 15.914 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.802 14.753 -10.372 1.00 0.00 H new ATOM 335 N HIS A 23 4.941 12.155 -16.918 1.00 0.00 N ATOM 336 CA HIS A 23 4.481 10.803 -17.263 1.00 0.00 C ATOM 337 C HIS A 23 5.563 9.981 -17.985 1.00 0.00 C ATOM 338 O HIS A 23 5.711 8.789 -17.710 1.00 0.00 O ATOM 339 CB HIS A 23 3.183 10.880 -18.084 1.00 0.00 C ATOM 340 CG HIS A 23 3.318 11.556 -19.428 1.00 0.00 C ATOM 341 ND1 HIS A 23 3.702 10.965 -20.612 1.00 0.00 N ATOM 342 CD2 HIS A 23 3.080 12.876 -19.702 1.00 0.00 C ATOM 343 CE1 HIS A 23 3.709 11.905 -21.571 1.00 0.00 C ATOM 344 NE2 HIS A 23 3.325 13.091 -21.064 1.00 0.00 N ATOM 0 H HIS A 23 4.419 12.895 -17.387 1.00 0.00 H new ATOM 0 HA HIS A 23 4.272 10.275 -16.333 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.808 9.868 -18.239 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.432 11.412 -17.500 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.759 13.623 -18.991 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.983 11.734 -22.601 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.231 13.971 -21.571 1.00 0.00 H new ATOM 352 N SER A 24 6.365 10.617 -18.847 1.00 0.00 N ATOM 353 CA SER A 24 7.478 9.967 -19.553 1.00 0.00 C ATOM 354 C SER A 24 8.561 9.470 -18.589 1.00 0.00 C ATOM 355 O SER A 24 9.011 8.329 -18.716 1.00 0.00 O ATOM 356 CB SER A 24 8.094 10.915 -20.588 1.00 0.00 C ATOM 357 OG SER A 24 7.118 11.298 -21.543 1.00 0.00 O ATOM 0 H SER A 24 6.260 11.605 -19.077 1.00 0.00 H new ATOM 0 HA SER A 24 7.064 9.098 -20.065 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.493 11.799 -20.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.930 10.426 -21.088 1.00 0.00 H new ATOM 0 HG SER A 24 7.522 11.905 -22.198 1.00 0.00 H new ATOM 363 N LEU A 25 8.926 10.269 -17.574 1.00 0.00 N ATOM 364 CA LEU A 25 9.828 9.812 -16.510 1.00 0.00 C ATOM 365 C LEU A 25 9.161 8.755 -15.612 1.00 0.00 C ATOM 366 O LEU A 25 9.771 7.726 -15.338 1.00 0.00 O ATOM 367 CB LEU A 25 10.355 11.013 -15.698 1.00 0.00 C ATOM 368 CG LEU A 25 11.220 10.593 -14.486 1.00 0.00 C ATOM 369 CD1 LEU A 25 12.508 9.881 -14.904 1.00 0.00 C ATOM 370 CD2 LEU A 25 11.616 11.792 -13.633 1.00 0.00 C ATOM 0 H LEU A 25 8.610 11.233 -17.470 1.00 0.00 H new ATOM 0 HA LEU A 25 10.684 9.324 -16.976 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.944 11.656 -16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.510 11.605 -15.346 1.00 0.00 H new ATOM 0 HG LEU A 25 10.594 9.909 -13.913 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.078 9.608 -14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.260 8.981 -15.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.105 10.546 -15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.223 11.456 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.191 12.494 -14.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.719 12.285 -13.259 1.00 0.00 H new ATOM 382 N GLN A 26 7.918 8.961 -15.170 1.00 0.00 N ATOM 383 CA GLN A 26 7.225 8.027 -14.269 1.00 0.00 C ATOM 384 C GLN A 26 7.054 6.624 -14.875 1.00 0.00 C ATOM 385 O GLN A 26 7.223 5.627 -14.172 1.00 0.00 O ATOM 386 CB GLN A 26 5.859 8.610 -13.870 1.00 0.00 C ATOM 387 CG GLN A 26 5.975 9.715 -12.803 1.00 0.00 C ATOM 388 CD GLN A 26 6.446 9.221 -11.432 1.00 0.00 C ATOM 389 OE1 GLN A 26 6.388 8.047 -11.087 1.00 0.00 O ATOM 390 NE2 GLN A 26 6.931 10.105 -10.584 1.00 0.00 N ATOM 0 H GLN A 26 7.362 9.777 -15.424 1.00 0.00 H new ATOM 0 HA GLN A 26 7.851 7.907 -13.385 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.368 9.015 -14.755 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.223 7.810 -13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.668 10.477 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.004 10.197 -12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.989 11.088 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.249 9.806 -9.662 1.00 0.00 H new ATOM 399 N ALA A 27 6.789 6.530 -16.180 1.00 0.00 N ATOM 400 CA ALA A 27 6.730 5.254 -16.891 1.00 0.00 C ATOM 401 C ALA A 27 8.121 4.644 -17.148 1.00 0.00 C ATOM 402 O ALA A 27 8.266 3.421 -17.101 1.00 0.00 O ATOM 403 CB ALA A 27 5.948 5.469 -18.184 1.00 0.00 C ATOM 0 H ALA A 27 6.609 7.340 -16.774 1.00 0.00 H new ATOM 0 HA ALA A 27 6.219 4.522 -16.266 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.889 4.530 -18.734 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.942 5.814 -17.947 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.454 6.217 -18.795 1.00 0.00 H new ATOM 409 N HIS A 28 9.156 5.470 -17.351 1.00 0.00 N ATOM 410 CA HIS A 28 10.544 5.009 -17.426 1.00 0.00 C ATOM 411 C HIS A 28 11.031 4.418 -16.090 1.00 0.00 C ATOM 412 O HIS A 28 11.639 3.347 -16.074 1.00 0.00 O ATOM 413 CB HIS A 28 11.457 6.160 -17.885 1.00 0.00 C ATOM 414 CG HIS A 28 12.914 5.820 -17.719 1.00 0.00 C ATOM 415 ND1 HIS A 28 13.617 4.910 -18.469 1.00 0.00 N ATOM 416 CD2 HIS A 28 13.719 6.198 -16.678 1.00 0.00 C ATOM 417 CE1 HIS A 28 14.812 4.726 -17.894 1.00 0.00 C ATOM 418 NE2 HIS A 28 14.935 5.496 -16.784 1.00 0.00 N ATOM 0 H HIS A 28 9.052 6.478 -17.468 1.00 0.00 H new ATOM 0 HA HIS A 28 10.589 4.205 -18.161 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.254 6.389 -18.931 1.00 0.00 H new ATOM 0 HB3 HIS A 28 11.226 7.058 -17.312 1.00 0.00 H new ATOM 0 HD1 HIS A 28 13.286 4.453 -19.318 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.465 6.912 -15.908 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.574 4.056 -18.264 1.00 0.00 H new ATOM 426 N LEU A 29 10.739 5.078 -14.962 1.00 0.00 N ATOM 427 CA LEU A 29 11.214 4.693 -13.624 1.00 0.00 C ATOM 428 C LEU A 29 10.814 3.266 -13.215 1.00 0.00 C ATOM 429 O LEU A 29 11.537 2.649 -12.430 1.00 0.00 O ATOM 430 CB LEU A 29 10.710 5.715 -12.583 1.00 0.00 C ATOM 431 CG LEU A 29 11.481 7.048 -12.553 1.00 0.00 C ATOM 432 CD1 LEU A 29 10.762 8.034 -11.630 1.00 0.00 C ATOM 433 CD2 LEU A 29 12.912 6.891 -12.039 1.00 0.00 C ATOM 0 H LEU A 29 10.153 5.913 -14.952 1.00 0.00 H new ATOM 0 HA LEU A 29 12.303 4.698 -13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.659 5.925 -12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.763 5.260 -11.594 1.00 0.00 H new ATOM 0 HG LEU A 29 11.519 7.410 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.308 8.977 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.751 8.208 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.714 7.620 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.407 7.862 -12.040 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.893 6.494 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.458 6.205 -12.686 1.00 0.00 H new ATOM 445 N ARG A 30 9.738 2.708 -13.793 1.00 0.00 N ATOM 446 CA ARG A 30 9.240 1.342 -13.527 1.00 0.00 C ATOM 447 C ARG A 30 10.312 0.250 -13.651 1.00 0.00 C ATOM 448 O ARG A 30 10.244 -0.744 -12.926 1.00 0.00 O ATOM 449 CB ARG A 30 8.074 1.028 -14.483 1.00 0.00 C ATOM 450 CG ARG A 30 6.860 1.947 -14.269 1.00 0.00 C ATOM 451 CD ARG A 30 5.761 1.648 -15.295 1.00 0.00 C ATOM 452 NE ARG A 30 4.618 2.569 -15.136 1.00 0.00 N ATOM 453 CZ ARG A 30 3.658 2.798 -16.015 1.00 0.00 C ATOM 454 NH1 ARG A 30 3.613 2.193 -17.170 1.00 0.00 N ATOM 455 NH2 ARG A 30 2.715 3.654 -15.751 1.00 0.00 N ATOM 0 H ARG A 30 9.172 3.207 -14.479 1.00 0.00 H new ATOM 0 HA ARG A 30 8.912 1.331 -12.488 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.419 1.124 -15.512 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.767 -0.009 -14.345 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.469 1.811 -13.261 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.168 2.989 -14.353 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.166 1.738 -16.303 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.421 0.619 -15.179 1.00 0.00 H new ATOM 0 HE ARG A 30 4.564 3.082 -14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.335 1.517 -17.420 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.856 2.396 -17.823 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.714 4.153 -14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.977 3.826 -16.434 1.00 0.00 H new ATOM 469 N ILE A 31 11.314 0.431 -14.521 1.00 0.00 N ATOM 470 CA ILE A 31 12.413 -0.536 -14.711 1.00 0.00 C ATOM 471 C ILE A 31 13.402 -0.575 -13.533 1.00 0.00 C ATOM 472 O ILE A 31 14.086 -1.580 -13.327 1.00 0.00 O ATOM 473 CB ILE A 31 13.149 -0.303 -16.047 1.00 0.00 C ATOM 474 CG1 ILE A 31 14.119 0.898 -16.017 1.00 0.00 C ATOM 475 CG2 ILE A 31 12.145 -0.239 -17.216 1.00 0.00 C ATOM 476 CD1 ILE A 31 14.856 1.112 -17.340 1.00 0.00 C ATOM 0 H ILE A 31 11.389 1.255 -15.118 1.00 0.00 H new ATOM 0 HA ILE A 31 11.941 -1.518 -14.747 1.00 0.00 H new ATOM 0 HB ILE A 31 13.794 -1.166 -16.211 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.561 1.801 -15.769 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.849 0.747 -15.222 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.683 -0.074 -18.149 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.595 -1.178 -17.275 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.446 0.581 -17.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.521 1.971 -17.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.441 0.224 -17.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.132 1.294 -18.134 1.00 0.00 H new ATOM 570 N PRO A 37 10.180 -10.740 -8.126 1.00 0.00 N ATOM 571 CA PRO A 37 9.962 -11.882 -9.020 1.00 0.00 C ATOM 572 C PRO A 37 8.512 -12.382 -9.088 1.00 0.00 C ATOM 573 O PRO A 37 8.039 -12.739 -10.169 1.00 0.00 O ATOM 574 CB PRO A 37 10.882 -12.988 -8.492 1.00 0.00 C ATOM 575 CG PRO A 37 11.042 -12.664 -7.008 1.00 0.00 C ATOM 576 CD PRO A 37 11.005 -11.140 -6.994 1.00 0.00 C ATOM 0 HA PRO A 37 10.182 -11.580 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.444 -13.975 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.843 -12.986 -9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.239 -13.094 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.979 -13.050 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.586 -10.770 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.010 -10.726 -7.080 1.00 0.00 H new ATOM 584 N TYR A 38 7.799 -12.430 -7.958 1.00 0.00 N ATOM 585 CA TYR A 38 6.464 -13.037 -7.874 1.00 0.00 C ATOM 586 C TYR A 38 5.378 -12.014 -8.227 1.00 0.00 C ATOM 587 O TYR A 38 4.800 -11.360 -7.356 1.00 0.00 O ATOM 588 CB TYR A 38 6.256 -13.720 -6.515 1.00 0.00 C ATOM 589 CG TYR A 38 7.220 -14.862 -6.270 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.057 -16.081 -6.956 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.300 -14.694 -5.388 1.00 0.00 C ATOM 592 CE1 TYR A 38 7.975 -17.131 -6.756 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.218 -15.739 -5.178 1.00 0.00 C ATOM 594 CZ TYR A 38 9.059 -16.962 -5.867 1.00 0.00 C ATOM 595 OH TYR A 38 9.952 -17.969 -5.664 1.00 0.00 O ATOM 0 H TYR A 38 8.131 -12.048 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 38 6.383 -13.829 -8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.369 -12.980 -5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.235 -14.096 -6.457 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.228 -16.211 -7.636 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.427 -13.756 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.850 -18.065 -7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.042 -15.607 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 38 10.633 -17.678 -5.022 1.00 0.00 H new ATOM 605 N LYS A 39 5.139 -11.859 -9.533 1.00 0.00 N ATOM 606 CA LYS A 39 4.205 -10.895 -10.135 1.00 0.00 C ATOM 607 C LYS A 39 2.792 -11.467 -10.282 1.00 0.00 C ATOM 608 O LYS A 39 2.618 -12.647 -10.598 1.00 0.00 O ATOM 609 CB LYS A 39 4.751 -10.421 -11.493 1.00 0.00 C ATOM 610 CG LYS A 39 6.020 -9.573 -11.329 1.00 0.00 C ATOM 611 CD LYS A 39 6.679 -9.286 -12.682 1.00 0.00 C ATOM 612 CE LYS A 39 7.965 -8.476 -12.477 1.00 0.00 C ATOM 613 NZ LYS A 39 8.647 -8.195 -13.767 1.00 0.00 N ATOM 0 H LYS A 39 5.613 -12.428 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 39 4.126 -10.042 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.969 -11.286 -12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.988 -9.838 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.770 -8.633 -10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.726 -10.093 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.906 -10.223 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.990 -8.735 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.728 -7.536 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.640 -9.024 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.512 -7.646 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.895 -9.092 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.012 -7.650 -14.384 1.00 0.00 H new ATOM 627 N CYS A 40 1.792 -10.608 -10.100 1.00 0.00 N ATOM 628 CA CYS A 40 0.379 -10.919 -10.292 1.00 0.00 C ATOM 629 C CYS A 40 0.015 -10.995 -11.797 1.00 0.00 C ATOM 630 O CYS A 40 0.450 -10.138 -12.578 1.00 0.00 O ATOM 631 CB CYS A 40 -0.425 -9.865 -9.530 1.00 0.00 C ATOM 632 SG CYS A 40 -2.208 -10.153 -9.652 1.00 0.00 S ATOM 0 H CYS A 40 1.949 -9.644 -9.805 1.00 0.00 H new ATOM 0 HA CYS A 40 0.139 -11.906 -9.898 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.128 -9.871 -8.481 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.190 -8.876 -9.923 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.709 -10.284 -8.460 1.00 0.00 H new ATOM 637 N PRO A 41 -0.784 -11.990 -12.232 1.00 0.00 N ATOM 638 CA PRO A 41 -1.312 -12.068 -13.593 1.00 0.00 C ATOM 639 C PRO A 41 -2.504 -11.118 -13.830 1.00 0.00 C ATOM 640 O PRO A 41 -2.867 -10.886 -14.984 1.00 0.00 O ATOM 641 CB PRO A 41 -1.718 -13.535 -13.761 1.00 0.00 C ATOM 642 CG PRO A 41 -2.156 -13.942 -12.357 1.00 0.00 C ATOM 643 CD PRO A 41 -1.219 -13.141 -11.456 1.00 0.00 C ATOM 0 HA PRO A 41 -0.570 -11.751 -14.325 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.527 -13.648 -14.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.887 -14.144 -14.115 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.201 -13.694 -12.173 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.050 -15.015 -12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.731 -12.825 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.366 -13.746 -11.148 1.00 0.00 H new ATOM 651 N GLN A 42 -3.118 -10.577 -12.767 1.00 0.00 N ATOM 652 CA GLN A 42 -4.348 -9.771 -12.836 1.00 0.00 C ATOM 653 C GLN A 42 -4.126 -8.266 -12.593 1.00 0.00 C ATOM 654 O GLN A 42 -4.913 -7.472 -13.119 1.00 0.00 O ATOM 655 CB GLN A 42 -5.390 -10.341 -11.855 1.00 0.00 C ATOM 656 CG GLN A 42 -5.976 -11.698 -12.280 1.00 0.00 C ATOM 657 CD GLN A 42 -6.914 -11.595 -13.486 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.555 -11.889 -14.618 1.00 0.00 O ATOM 659 NE2 GLN A 42 -8.146 -11.175 -13.288 1.00 0.00 N ATOM 0 H GLN A 42 -2.767 -10.689 -11.816 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.717 -9.843 -13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.929 -10.448 -10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.203 -9.623 -11.748 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.160 -12.381 -12.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.519 -12.132 -11.440 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.456 -10.927 -12.348 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.791 -11.097 -14.074 1.00 0.00 H new ATOM 668 N CYS A 43 -3.097 -7.847 -11.839 1.00 0.00 N ATOM 669 CA CYS A 43 -2.810 -6.432 -11.575 1.00 0.00 C ATOM 670 C CYS A 43 -1.296 -6.124 -11.492 1.00 0.00 C ATOM 671 O CYS A 43 -0.448 -6.985 -11.741 1.00 0.00 O ATOM 672 CB CYS A 43 -3.605 -6.009 -10.325 1.00 0.00 C ATOM 673 SG CYS A 43 -2.941 -6.762 -8.829 1.00 0.00 S ATOM 0 H CYS A 43 -2.438 -8.486 -11.394 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.139 -5.827 -12.420 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.581 -4.924 -10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.650 -6.295 -10.444 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.652 -8.008 -9.062 1.00 0.00 H new ATOM 678 N SER A 44 -0.948 -4.876 -11.165 1.00 0.00 N ATOM 679 CA SER A 44 0.436 -4.368 -11.087 1.00 0.00 C ATOM 680 C SER A 44 1.246 -4.891 -9.882 1.00 0.00 C ATOM 681 O SER A 44 2.414 -4.534 -9.719 1.00 0.00 O ATOM 682 CB SER A 44 0.429 -2.832 -11.074 1.00 0.00 C ATOM 683 OG SER A 44 -0.297 -2.316 -12.183 1.00 0.00 O ATOM 0 H SER A 44 -1.641 -4.163 -10.939 1.00 0.00 H new ATOM 0 HA SER A 44 0.939 -4.750 -11.975 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.016 -2.475 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.453 -2.460 -11.100 1.00 0.00 H new ATOM 0 HG SER A 44 -0.289 -1.337 -12.152 1.00 0.00 H new ATOM 689 N TYR A 45 0.640 -5.715 -9.022 1.00 0.00 N ATOM 690 CA TYR A 45 1.245 -6.293 -7.822 1.00 0.00 C ATOM 691 C TYR A 45 2.468 -7.183 -8.115 1.00 0.00 C ATOM 692 O TYR A 45 2.476 -7.978 -9.060 1.00 0.00 O ATOM 693 CB TYR A 45 0.163 -7.091 -7.085 1.00 0.00 C ATOM 694 CG TYR A 45 0.644 -7.824 -5.840 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.246 -9.097 -5.939 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.500 -7.217 -4.577 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.703 -9.757 -4.783 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.944 -7.880 -3.417 1.00 0.00 C ATOM 699 CZ TYR A 45 1.544 -9.154 -3.517 1.00 0.00 C ATOM 700 OH TYR A 45 1.969 -9.800 -2.400 1.00 0.00 O ATOM 0 H TYR A 45 -0.328 -6.009 -9.150 1.00 0.00 H new ATOM 0 HA TYR A 45 1.623 -5.476 -7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.640 -6.411 -6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.265 -7.818 -7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.356 -9.566 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.047 -6.240 -4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.175 -10.725 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.826 -7.414 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 45 1.786 -9.246 -1.612 1.00 0.00 H new ATOM 710 N ALA A 46 3.479 -7.084 -7.250 1.00 0.00 N ATOM 711 CA ALA A 46 4.631 -7.984 -7.197 1.00 0.00 C ATOM 712 C ALA A 46 5.162 -8.160 -5.758 1.00 0.00 C ATOM 713 O ALA A 46 5.068 -7.236 -4.945 1.00 0.00 O ATOM 714 CB ALA A 46 5.715 -7.448 -8.139 1.00 0.00 C ATOM 0 H ALA A 46 3.519 -6.350 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 46 4.323 -8.977 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.581 -8.109 -8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.325 -7.405 -9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.011 -6.448 -7.822 1.00 0.00 H new ATOM 720 N SER A 47 5.763 -9.317 -5.450 1.00 0.00 N ATOM 721 CA SER A 47 6.420 -9.596 -4.160 1.00 0.00 C ATOM 722 C SER A 47 7.706 -10.429 -4.299 1.00 0.00 C ATOM 723 O SER A 47 7.971 -11.041 -5.336 1.00 0.00 O ATOM 724 CB SER A 47 5.439 -10.288 -3.206 1.00 0.00 C ATOM 725 OG SER A 47 5.914 -10.199 -1.867 1.00 0.00 O ATOM 0 H SER A 47 5.809 -10.101 -6.100 1.00 0.00 H new ATOM 0 HA SER A 47 6.719 -8.632 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.456 -9.824 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.321 -11.334 -3.489 1.00 0.00 H new ATOM 0 HG SER A 47 5.447 -9.474 -1.402 1.00 0.00 H new ATOM 731 N ALA A 48 8.511 -10.460 -3.234 1.00 0.00 N ATOM 732 CA ALA A 48 9.713 -11.292 -3.108 1.00 0.00 C ATOM 733 C ALA A 48 9.422 -12.726 -2.607 1.00 0.00 C ATOM 734 O ALA A 48 10.327 -13.561 -2.586 1.00 0.00 O ATOM 735 CB ALA A 48 10.704 -10.554 -2.201 1.00 0.00 C ATOM 0 H ALA A 48 8.339 -9.888 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 48 10.144 -11.437 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.609 -11.151 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.957 -9.591 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.252 -10.394 -1.222 1.00 0.00 H new ATOM 741 N ILE A 49 8.172 -13.020 -2.219 1.00 0.00 N ATOM 742 CA ILE A 49 7.738 -14.292 -1.624 1.00 0.00 C ATOM 743 C ILE A 49 6.568 -14.898 -2.418 1.00 0.00 C ATOM 744 O ILE A 49 5.577 -14.218 -2.695 1.00 0.00 O ATOM 745 CB ILE A 49 7.344 -14.049 -0.147 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.443 -13.374 0.703 1.00 0.00 C ATOM 747 CG2 ILE A 49 6.872 -15.336 0.548 1.00 0.00 C ATOM 748 CD1 ILE A 49 9.655 -14.266 0.977 1.00 0.00 C ATOM 0 H ILE A 49 7.407 -12.352 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 49 8.559 -15.008 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 49 6.513 -13.346 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.778 -12.470 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.012 -13.062 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.607 -15.115 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.001 -15.733 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.673 -16.075 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.381 -13.719 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.336 -15.158 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.114 -14.557 0.032 1.00 0.00 H new ATOM 760 N LYS A 50 6.636 -16.202 -2.720 1.00 0.00 N ATOM 761 CA LYS A 50 5.565 -16.941 -3.423 1.00 0.00 C ATOM 762 C LYS A 50 4.287 -17.061 -2.583 1.00 0.00 C ATOM 763 O LYS A 50 3.183 -16.910 -3.103 1.00 0.00 O ATOM 764 CB LYS A 50 6.104 -18.319 -3.846 1.00 0.00 C ATOM 765 CG LYS A 50 5.203 -18.994 -4.891 1.00 0.00 C ATOM 766 CD LYS A 50 5.792 -20.336 -5.342 1.00 0.00 C ATOM 767 CE LYS A 50 4.882 -20.989 -6.390 1.00 0.00 C ATOM 768 NZ LYS A 50 5.418 -22.299 -6.843 1.00 0.00 N ATOM 0 H LYS A 50 7.440 -16.783 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 50 5.278 -16.378 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.109 -18.206 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.186 -18.961 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.209 -19.152 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.085 -18.337 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.787 -20.183 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.904 -20.999 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.886 -21.129 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.777 -20.323 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.777 -22.710 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.358 -22.162 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.495 -22.943 -6.030 1.00 0.00 H new ATOM 782 N ALA A 51 4.433 -17.251 -1.270 1.00 0.00 N ATOM 783 CA ALA A 51 3.320 -17.239 -0.318 1.00 0.00 C ATOM 784 C ALA A 51 2.618 -15.866 -0.240 1.00 0.00 C ATOM 785 O ALA A 51 1.389 -15.828 -0.184 1.00 0.00 O ATOM 786 CB ALA A 51 3.824 -17.706 1.052 1.00 0.00 C ATOM 0 H ALA A 51 5.339 -17.420 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 51 2.557 -17.932 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.999 -17.699 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.222 -18.717 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.609 -17.034 1.399 1.00 0.00 H new ATOM 792 N ASN A 52 3.348 -14.742 -0.329 1.00 0.00 N ATOM 793 CA ASN A 52 2.713 -13.417 -0.427 1.00 0.00 C ATOM 794 C ASN A 52 1.847 -13.300 -1.695 1.00 0.00 C ATOM 795 O ASN A 52 0.701 -12.855 -1.614 1.00 0.00 O ATOM 796 CB ASN A 52 3.766 -12.296 -0.393 1.00 0.00 C ATOM 797 CG ASN A 52 4.418 -12.054 0.957 1.00 0.00 C ATOM 798 OD1 ASN A 52 4.073 -12.625 1.983 1.00 0.00 O ATOM 799 ND2 ASN A 52 5.395 -11.177 0.987 1.00 0.00 N ATOM 0 H ASN A 52 4.368 -14.723 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 52 2.061 -13.305 0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.546 -12.532 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.296 -11.369 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.868 -10.970 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.681 -10.702 0.131 1.00 0.00 H new ATOM 806 N LEU A 53 2.340 -13.778 -2.847 1.00 0.00 N ATOM 807 CA LEU A 53 1.552 -13.826 -4.082 1.00 0.00 C ATOM 808 C LEU A 53 0.322 -14.744 -3.954 1.00 0.00 C ATOM 809 O LEU A 53 -0.743 -14.388 -4.449 1.00 0.00 O ATOM 810 CB LEU A 53 2.463 -14.210 -5.264 1.00 0.00 C ATOM 811 CG LEU A 53 1.729 -14.287 -6.619 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.147 -12.938 -7.048 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.672 -14.768 -7.718 1.00 0.00 C ATOM 0 H LEU A 53 3.289 -14.139 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 53 1.148 -12.832 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.270 -13.481 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.924 -15.176 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 53 0.911 -14.993 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.642 -13.048 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.433 -12.595 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.951 -12.209 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.134 -14.815 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.508 -14.074 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.049 -15.759 -7.466 1.00 0.00 H new ATOM 825 N ASN A 54 0.404 -15.873 -3.243 1.00 0.00 N ATOM 826 CA ASN A 54 -0.759 -16.732 -2.978 1.00 0.00 C ATOM 827 C ASN A 54 -1.831 -16.030 -2.112 1.00 0.00 C ATOM 828 O ASN A 54 -3.020 -16.083 -2.430 1.00 0.00 O ATOM 829 CB ASN A 54 -0.265 -18.047 -2.351 1.00 0.00 C ATOM 830 CG ASN A 54 -1.405 -19.027 -2.121 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.903 -19.661 -3.038 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.868 -19.170 -0.899 1.00 0.00 N ATOM 0 H ASN A 54 1.273 -16.218 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.261 -16.952 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.480 -18.503 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.228 -17.835 -1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.642 -19.810 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.453 -18.641 -0.131 1.00 0.00 H new ATOM 839 N VAL A 55 -1.411 -15.307 -1.065 1.00 0.00 N ATOM 840 CA VAL A 55 -2.286 -14.476 -0.202 1.00 0.00 C ATOM 841 C VAL A 55 -2.886 -13.285 -0.963 1.00 0.00 C ATOM 842 O VAL A 55 -3.962 -12.795 -0.614 1.00 0.00 O ATOM 843 CB VAL A 55 -1.506 -14.020 1.051 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.269 -13.033 1.947 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.172 -15.237 1.922 1.00 0.00 C ATOM 0 H VAL A 55 -0.432 -15.278 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.130 -15.088 0.117 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.620 -13.515 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.650 -12.765 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.509 -12.135 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.191 -13.497 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.622 -14.912 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.095 -15.728 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.561 -15.937 1.351 1.00 0.00 H new ATOM 855 N HIS A 56 -2.240 -12.853 -2.043 1.00 0.00 N ATOM 856 CA HIS A 56 -2.750 -11.836 -2.965 1.00 0.00 C ATOM 857 C HIS A 56 -3.720 -12.393 -4.029 1.00 0.00 C ATOM 858 O HIS A 56 -4.781 -11.817 -4.258 1.00 0.00 O ATOM 859 CB HIS A 56 -1.547 -11.116 -3.585 1.00 0.00 C ATOM 860 CG HIS A 56 -1.977 -10.073 -4.569 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.600 -8.890 -4.260 1.00 0.00 N ATOM 862 CD2 HIS A 56 -1.963 -10.193 -5.929 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.971 -8.305 -5.403 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.609 -9.063 -6.466 1.00 0.00 N ATOM 0 H HIS A 56 -1.322 -13.209 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.360 -11.128 -2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.954 -10.651 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.904 -11.842 -4.081 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.753 -8.521 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.533 -11.008 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.488 -7.359 -5.470 1.00 0.00 H new ATOM 872 N LEU A 57 -3.418 -13.533 -4.656 1.00 0.00 N ATOM 873 CA LEU A 57 -4.261 -14.161 -5.685 1.00 0.00 C ATOM 874 C LEU A 57 -5.641 -14.579 -5.155 1.00 0.00 C ATOM 875 O LEU A 57 -6.631 -14.467 -5.878 1.00 0.00 O ATOM 876 CB LEU A 57 -3.534 -15.389 -6.238 1.00 0.00 C ATOM 877 CG LEU A 57 -2.391 -15.088 -7.220 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.544 -16.348 -7.380 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.923 -14.689 -8.595 1.00 0.00 C ATOM 0 H LEU A 57 -2.565 -14.058 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.432 -13.420 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.131 -15.960 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.262 -16.027 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.805 -14.260 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.727 -16.152 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.135 -16.637 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.164 -17.156 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.087 -14.484 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.522 -15.503 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.540 -13.796 -8.501 1.00 0.00 H new ATOM 891 N ARG A 58 -5.743 -14.985 -3.882 1.00 0.00 N ATOM 892 CA ARG A 58 -7.038 -15.283 -3.230 1.00 0.00 C ATOM 893 C ARG A 58 -7.967 -14.066 -3.070 1.00 0.00 C ATOM 894 O ARG A 58 -9.153 -14.245 -2.797 1.00 0.00 O ATOM 895 CB ARG A 58 -6.819 -16.037 -1.912 1.00 0.00 C ATOM 896 CG ARG A 58 -6.134 -15.203 -0.823 1.00 0.00 C ATOM 897 CD ARG A 58 -5.958 -15.999 0.474 1.00 0.00 C ATOM 898 NE ARG A 58 -7.244 -16.227 1.167 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.435 -16.933 2.267 1.00 0.00 C ATOM 900 NH1 ARG A 58 -6.459 -17.537 2.883 1.00 0.00 N ATOM 901 NH2 ARG A 58 -8.628 -17.047 2.775 1.00 0.00 N ATOM 0 H ARG A 58 -4.936 -15.118 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.579 -15.937 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.783 -16.382 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.217 -16.924 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.160 -14.869 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.725 -14.309 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.493 -16.959 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.279 -15.464 1.138 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.069 -15.794 0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.509 -17.474 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.645 -18.073 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.420 -16.590 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.770 -17.593 3.625 1.00 0.00 H new ATOM 915 N LYS A 59 -7.459 -12.845 -3.287 1.00 0.00 N ATOM 916 CA LYS A 59 -8.256 -11.601 -3.388 1.00 0.00 C ATOM 917 C LYS A 59 -8.892 -11.412 -4.776 1.00 0.00 C ATOM 918 O LYS A 59 -9.870 -10.675 -4.906 1.00 0.00 O ATOM 919 CB LYS A 59 -7.405 -10.369 -3.015 1.00 0.00 C ATOM 920 CG LYS A 59 -6.650 -10.531 -1.687 1.00 0.00 C ATOM 921 CD LYS A 59 -5.998 -9.220 -1.228 1.00 0.00 C ATOM 922 CE LYS A 59 -5.258 -9.458 0.095 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.669 -8.201 0.630 1.00 0.00 N ATOM 0 H LYS A 59 -6.458 -12.684 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.073 -11.699 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.687 -10.177 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.052 -9.494 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.340 -10.880 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.883 -11.297 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.303 -8.861 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.757 -8.448 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.948 -9.877 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.468 -10.194 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.177 -8.401 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.992 -7.814 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.425 -7.507 0.799 1.00 0.00 H new ATOM 937 N HIS A 60 -8.371 -12.094 -5.800 1.00 0.00 N ATOM 938 CA HIS A 60 -8.839 -12.050 -7.195 1.00 0.00 C ATOM 939 C HIS A 60 -9.933 -13.093 -7.539 1.00 0.00 C ATOM 940 O HIS A 60 -10.102 -13.476 -8.700 1.00 0.00 O ATOM 941 CB HIS A 60 -7.632 -12.102 -8.151 1.00 0.00 C ATOM 942 CG HIS A 60 -6.803 -10.844 -8.163 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.236 -9.587 -8.529 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.462 -10.753 -7.905 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.193 -8.751 -8.499 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.069 -9.415 -8.141 1.00 0.00 N ATOM 0 H HIS A 60 -7.576 -12.721 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.351 -11.097 -7.331 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.996 -12.941 -7.870 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.991 -12.298 -9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.820 -11.558 -7.580 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.240 -7.697 -8.728 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.129 -9.029 -8.058 1.00 0.00 H new ATOM 1012 N PHE A 65 -11.735 -11.637 -16.858 1.00 0.00 N ATOM 1013 CA PHE A 65 -10.765 -12.224 -17.783 1.00 0.00 C ATOM 1014 C PHE A 65 -10.968 -11.565 -19.156 1.00 0.00 C ATOM 1015 O PHE A 65 -12.110 -11.408 -19.597 1.00 0.00 O ATOM 1016 CB PHE A 65 -10.955 -13.749 -17.839 1.00 0.00 C ATOM 1017 CG PHE A 65 -10.659 -14.470 -16.536 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -11.643 -14.544 -15.531 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -9.401 -15.062 -16.318 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -11.377 -15.212 -14.324 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -9.132 -15.725 -15.108 1.00 0.00 C ATOM 1022 CZ PHE A 65 -10.122 -15.806 -14.112 1.00 0.00 C ATOM 0 HA PHE A 65 -9.742 -12.044 -17.451 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.983 -13.964 -18.133 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.310 -14.154 -18.618 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.608 -14.085 -15.689 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.640 -15.007 -17.082 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.137 -15.269 -13.559 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.163 -16.173 -14.943 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.918 -16.324 -13.186 1.00 0.00 H new ATOM 1032 N ALA A 66 -9.885 -11.151 -19.819 1.00 0.00 N ATOM 1033 CA ALA A 66 -9.930 -10.311 -21.020 1.00 0.00 C ATOM 1034 C ALA A 66 -9.299 -10.970 -22.259 1.00 0.00 C ATOM 1035 O ALA A 66 -8.292 -11.678 -22.160 1.00 0.00 O ATOM 1036 CB ALA A 66 -9.261 -8.968 -20.696 1.00 0.00 C ATOM 0 H ALA A 66 -8.937 -11.394 -19.532 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.976 -10.160 -21.288 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.284 -8.328 -21.578 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.797 -8.482 -19.881 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.226 -9.139 -20.399 1.00 0.00 H new ATOM 1042 N CYS A 67 -9.879 -10.691 -23.428 1.00 0.00 N ATOM 1043 CA CYS A 67 -9.408 -11.155 -24.728 1.00 0.00 C ATOM 1044 C CYS A 67 -8.099 -10.461 -25.162 1.00 0.00 C ATOM 1045 O CYS A 67 -7.845 -9.293 -24.852 1.00 0.00 O ATOM 1046 CB CYS A 67 -10.567 -10.982 -25.711 1.00 0.00 C ATOM 1047 SG CYS A 67 -10.197 -11.722 -27.333 1.00 0.00 S ATOM 0 H CYS A 67 -10.719 -10.116 -23.494 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.130 -12.208 -24.689 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.465 -11.442 -25.298 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.781 -9.921 -25.836 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.268 -12.286 -27.807 1.00 0.00 H new ATOM 1052 N ASP A 68 -7.263 -11.207 -25.885 1.00 0.00 N ATOM 1053 CA ASP A 68 -6.005 -10.735 -26.481 1.00 0.00 C ATOM 1054 C ASP A 68 -6.182 -10.267 -27.942 1.00 0.00 C ATOM 1055 O ASP A 68 -5.274 -9.662 -28.520 1.00 0.00 O ATOM 1056 CB ASP A 68 -4.960 -11.855 -26.359 1.00 0.00 C ATOM 1057 CG ASP A 68 -3.534 -11.376 -26.691 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -3.025 -10.459 -26.000 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -2.891 -11.948 -27.604 1.00 0.00 O ATOM 0 H ASP A 68 -7.446 -12.191 -26.081 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.663 -9.854 -25.937 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.978 -12.254 -25.345 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.229 -12.672 -27.028 1.00 0.00 H new ATOM 1064 N TYR A 69 -7.352 -10.530 -28.537 1.00 0.00 N ATOM 1065 CA TYR A 69 -7.644 -10.330 -29.964 1.00 0.00 C ATOM 1066 C TYR A 69 -8.765 -9.300 -30.228 1.00 0.00 C ATOM 1067 O TYR A 69 -8.865 -8.784 -31.346 1.00 0.00 O ATOM 1068 CB TYR A 69 -7.988 -11.692 -30.584 1.00 0.00 C ATOM 1069 CG TYR A 69 -6.935 -12.771 -30.413 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -5.825 -12.821 -31.281 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -7.071 -13.732 -29.390 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -4.854 -13.829 -31.127 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -6.102 -14.741 -29.236 1.00 0.00 C ATOM 1074 CZ TYR A 69 -4.990 -14.793 -30.102 1.00 0.00 C ATOM 1075 OH TYR A 69 -4.059 -15.775 -29.948 1.00 0.00 O ATOM 0 H TYR A 69 -8.150 -10.901 -28.021 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.755 -9.908 -30.433 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.921 -12.046 -30.146 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.170 -11.551 -31.650 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.719 -12.085 -32.065 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.920 -13.694 -28.724 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.004 -13.866 -31.793 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.210 -15.477 -28.453 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.310 -16.349 -29.194 1.00 0.00 H new ATOM 1085 N CYS A 70 -9.587 -8.981 -29.220 1.00 0.00 N ATOM 1086 CA CYS A 70 -10.594 -7.910 -29.235 1.00 0.00 C ATOM 1087 C CYS A 70 -10.802 -7.291 -27.829 1.00 0.00 C ATOM 1088 O CYS A 70 -10.077 -7.602 -26.879 1.00 0.00 O ATOM 1089 CB CYS A 70 -11.899 -8.435 -29.861 1.00 0.00 C ATOM 1090 SG CYS A 70 -12.730 -9.633 -28.787 1.00 0.00 S ATOM 0 H CYS A 70 -9.568 -9.484 -28.333 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.232 -7.092 -29.858 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -12.569 -7.598 -30.058 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.679 -8.900 -30.822 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.843 -10.399 -28.224 1.00 0.00 H new ATOM 1095 N SER A 71 -11.788 -6.398 -27.693 1.00 0.00 N ATOM 1096 CA SER A 71 -12.123 -5.681 -26.446 1.00 0.00 C ATOM 1097 C SER A 71 -12.978 -6.492 -25.449 1.00 0.00 C ATOM 1098 O SER A 71 -13.364 -5.967 -24.400 1.00 0.00 O ATOM 1099 CB SER A 71 -12.825 -4.356 -26.777 1.00 0.00 C ATOM 1100 OG SER A 71 -12.041 -3.571 -27.667 1.00 0.00 O ATOM 0 H SER A 71 -12.398 -6.142 -28.470 1.00 0.00 H new ATOM 0 HA SER A 71 -11.172 -5.502 -25.944 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.798 -4.558 -27.226 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.007 -3.798 -25.859 1.00 0.00 H new ATOM 0 HG SER A 71 -12.510 -2.733 -27.864 1.00 0.00 H new ATOM 1106 N PHE A 72 -13.308 -7.751 -25.758 1.00 0.00 N ATOM 1107 CA PHE A 72 -14.196 -8.605 -24.956 1.00 0.00 C ATOM 1108 C PHE A 72 -13.657 -8.936 -23.549 1.00 0.00 C ATOM 1109 O PHE A 72 -12.454 -9.144 -23.355 1.00 0.00 O ATOM 1110 CB PHE A 72 -14.460 -9.897 -25.744 1.00 0.00 C ATOM 1111 CG PHE A 72 -15.313 -10.937 -25.040 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -16.717 -10.857 -25.097 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -14.701 -11.998 -24.344 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -17.505 -11.837 -24.467 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -15.488 -12.981 -23.720 1.00 0.00 C ATOM 1116 CZ PHE A 72 -16.890 -12.899 -23.780 1.00 0.00 C ATOM 0 H PHE A 72 -12.957 -8.218 -26.594 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.116 -8.046 -24.784 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.944 -9.634 -26.685 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.501 -10.350 -25.994 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.190 -10.042 -25.625 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.624 -12.056 -24.290 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.582 -11.774 -24.511 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.016 -13.798 -23.195 1.00 0.00 H new ATOM 0 HZ PHE A 72 -17.496 -13.652 -23.298 1.00 0.00 H new ATOM 1126 N THR A 73 -14.574 -9.058 -22.582 1.00 0.00 N ATOM 1127 CA THR A 73 -14.309 -9.595 -21.236 1.00 0.00 C ATOM 1128 C THR A 73 -15.404 -10.568 -20.780 1.00 0.00 C ATOM 1129 O THR A 73 -16.565 -10.470 -21.185 1.00 0.00 O ATOM 1130 CB THR A 73 -14.135 -8.513 -20.156 1.00 0.00 C ATOM 1131 OG1 THR A 73 -15.297 -7.728 -19.997 1.00 0.00 O ATOM 1132 CG2 THR A 73 -12.984 -7.546 -20.407 1.00 0.00 C ATOM 0 H THR A 73 -15.546 -8.780 -22.714 1.00 0.00 H new ATOM 0 HA THR A 73 -13.360 -10.122 -21.340 1.00 0.00 H new ATOM 0 HB THR A 73 -13.919 -9.093 -19.259 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.144 -7.055 -19.301 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.936 -6.819 -19.596 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.047 -8.100 -20.453 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.145 -7.026 -21.352 1.00 0.00 H new ATOM 1140 N CYS A 74 -15.025 -11.498 -19.905 1.00 0.00 N ATOM 1141 CA CYS A 74 -15.894 -12.484 -19.253 1.00 0.00 C ATOM 1142 C CYS A 74 -15.429 -12.738 -17.805 1.00 0.00 C ATOM 1143 O CYS A 74 -14.487 -12.098 -17.336 1.00 0.00 O ATOM 1144 CB CYS A 74 -15.906 -13.759 -20.112 1.00 0.00 C ATOM 1145 SG CYS A 74 -14.227 -14.431 -20.271 1.00 0.00 S ATOM 0 H CYS A 74 -14.052 -11.591 -19.614 1.00 0.00 H new ATOM 0 HA CYS A 74 -16.916 -12.113 -19.179 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -16.561 -14.504 -19.660 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.310 -13.536 -21.099 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.078 -15.425 -19.447 1.00 0.00 H new ATOM 1151 N LEU A 75 -16.083 -13.654 -17.080 1.00 0.00 N ATOM 1152 CA LEU A 75 -15.829 -13.914 -15.651 1.00 0.00 C ATOM 1153 C LEU A 75 -15.170 -15.280 -15.355 1.00 0.00 C ATOM 1154 O LEU A 75 -15.168 -15.736 -14.209 1.00 0.00 O ATOM 1155 CB LEU A 75 -17.131 -13.660 -14.859 1.00 0.00 C ATOM 1156 CG LEU A 75 -16.899 -12.899 -13.538 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -16.545 -11.430 -13.800 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -18.171 -12.927 -12.691 1.00 0.00 C ATOM 0 H LEU A 75 -16.815 -14.246 -17.472 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.069 -13.212 -15.309 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.822 -13.092 -15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.609 -14.615 -14.642 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.075 -13.388 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.387 -10.919 -12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.635 -11.376 -14.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.361 -10.950 -14.339 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.000 -12.388 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -18.984 -12.453 -13.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.437 -13.960 -12.468 1.00 0.00 H new ATOM 1170 N SER A 76 -14.614 -15.943 -16.378 1.00 0.00 N ATOM 1171 CA SER A 76 -13.871 -17.207 -16.250 1.00 0.00 C ATOM 1172 C SER A 76 -12.832 -17.382 -17.362 1.00 0.00 C ATOM 1173 O SER A 76 -13.111 -17.097 -18.531 1.00 0.00 O ATOM 1174 CB SER A 76 -14.853 -18.386 -16.274 1.00 0.00 C ATOM 1175 OG SER A 76 -14.161 -19.625 -16.323 1.00 0.00 O ATOM 0 H SER A 76 -14.669 -15.609 -17.340 1.00 0.00 H new ATOM 0 HA SER A 76 -13.336 -17.180 -15.301 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.486 -18.354 -15.387 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.511 -18.298 -17.139 1.00 0.00 H new ATOM 0 HG SER A 76 -14.808 -20.361 -16.336 1.00 0.00 H new ATOM 1181 N LYS A 77 -11.663 -17.946 -17.031 1.00 0.00 N ATOM 1182 CA LYS A 77 -10.652 -18.377 -18.016 1.00 0.00 C ATOM 1183 C LYS A 77 -11.178 -19.448 -18.986 1.00 0.00 C ATOM 1184 O LYS A 77 -10.752 -19.486 -20.139 1.00 0.00 O ATOM 1185 CB LYS A 77 -9.368 -18.836 -17.299 1.00 0.00 C ATOM 1186 CG LYS A 77 -9.548 -20.068 -16.391 1.00 0.00 C ATOM 1187 CD LYS A 77 -8.280 -20.422 -15.599 1.00 0.00 C ATOM 1188 CE LYS A 77 -7.126 -20.864 -16.511 1.00 0.00 C ATOM 1189 NZ LYS A 77 -5.934 -21.273 -15.723 1.00 0.00 N ATOM 0 H LYS A 77 -11.386 -18.119 -16.065 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.413 -17.512 -18.634 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.609 -19.061 -18.048 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.988 -18.010 -16.698 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.365 -19.882 -15.694 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.839 -20.923 -17.002 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.967 -19.557 -15.014 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.507 -21.220 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.453 -21.695 -17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.858 -20.047 -17.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.174 -21.565 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.608 -20.472 -15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.185 -22.068 -15.102 1.00 0.00 H new ATOM 1203 N GLY A 78 -12.145 -20.266 -18.559 1.00 0.00 N ATOM 1204 CA GLY A 78 -12.844 -21.225 -19.423 1.00 0.00 C ATOM 1205 C GLY A 78 -13.742 -20.532 -20.451 1.00 0.00 C ATOM 1206 O GLY A 78 -13.707 -20.867 -21.635 1.00 0.00 O ATOM 0 H GLY A 78 -12.469 -20.282 -17.592 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.112 -21.844 -19.942 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.447 -21.892 -18.808 1.00 0.00 H new ATOM 1210 N HIS A 79 -14.476 -19.495 -20.036 1.00 0.00 N ATOM 1211 CA HIS A 79 -15.288 -18.673 -20.943 1.00 0.00 C ATOM 1212 C HIS A 79 -14.409 -17.889 -21.937 1.00 0.00 C ATOM 1213 O HIS A 79 -14.780 -17.745 -23.104 1.00 0.00 O ATOM 1214 CB HIS A 79 -16.197 -17.754 -20.112 1.00 0.00 C ATOM 1215 CG HIS A 79 -17.317 -17.105 -20.892 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -17.300 -16.712 -22.214 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -18.568 -16.821 -20.412 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -18.507 -16.211 -22.523 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -19.317 -16.250 -21.451 1.00 0.00 N ATOM 0 H HIS A 79 -14.525 -19.200 -19.061 1.00 0.00 H new ATOM 0 HA HIS A 79 -15.918 -19.322 -21.551 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.628 -18.333 -19.296 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.586 -16.972 -19.660 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -16.506 -16.789 -22.849 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.917 -17.005 -19.407 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -18.787 -15.831 -23.494 1.00 0.00 H new ATOM 1227 N LEU A 80 -13.217 -17.447 -21.521 1.00 0.00 N ATOM 1228 CA LEU A 80 -12.231 -16.808 -22.397 1.00 0.00 C ATOM 1229 C LEU A 80 -11.663 -17.793 -23.434 1.00 0.00 C ATOM 1230 O LEU A 80 -11.596 -17.474 -24.620 1.00 0.00 O ATOM 1231 CB LEU A 80 -11.125 -16.178 -21.528 1.00 0.00 C ATOM 1232 CG LEU A 80 -9.974 -15.542 -22.326 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -10.446 -14.440 -23.276 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -8.952 -14.939 -21.365 1.00 0.00 C ATOM 0 H LEU A 80 -12.907 -17.525 -20.552 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.719 -16.021 -22.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.572 -15.417 -20.889 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.715 -16.945 -20.871 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.534 -16.339 -22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.590 -14.029 -23.811 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.156 -14.856 -23.991 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.930 -13.649 -22.703 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.138 -14.490 -21.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.433 -14.175 -20.755 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.554 -15.722 -20.719 1.00 0.00 H new ATOM 1246 N LYS A 81 -11.312 -19.015 -23.013 1.00 0.00 N ATOM 1247 CA LYS A 81 -10.849 -20.094 -23.903 1.00 0.00 C ATOM 1248 C LYS A 81 -11.902 -20.438 -24.964 1.00 0.00 C ATOM 1249 O LYS A 81 -11.575 -20.520 -26.146 1.00 0.00 O ATOM 1250 CB LYS A 81 -10.449 -21.292 -23.021 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.858 -22.514 -23.742 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.658 -22.186 -24.646 1.00 0.00 C ATOM 1253 CE LYS A 81 -7.687 -23.365 -24.833 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.364 -24.626 -25.235 1.00 0.00 N ATOM 0 H LYS A 81 -11.341 -19.288 -22.031 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.976 -19.777 -24.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.722 -20.946 -22.287 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.331 -21.617 -22.468 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.549 -23.248 -22.998 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.638 -22.980 -24.345 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.025 -21.870 -25.623 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.114 -21.342 -24.222 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.947 -23.101 -25.589 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.146 -23.532 -23.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.682 -25.249 -25.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.738 -25.104 -24.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.147 -24.408 -25.884 1.00 0.00 H new ATOM 1268 N VAL A 82 -13.176 -20.526 -24.569 1.00 0.00 N ATOM 1269 CA VAL A 82 -14.317 -20.725 -25.484 1.00 0.00 C ATOM 1270 C VAL A 82 -14.527 -19.523 -26.416 1.00 0.00 C ATOM 1271 O VAL A 82 -14.740 -19.719 -27.612 1.00 0.00 O ATOM 1272 CB VAL A 82 -15.593 -21.053 -24.679 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -16.863 -21.074 -25.539 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -15.473 -22.437 -24.025 1.00 0.00 C ATOM 0 H VAL A 82 -13.454 -20.461 -23.590 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.088 -21.574 -26.128 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.680 -20.259 -23.937 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -17.723 -21.311 -24.912 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -17.007 -20.096 -25.999 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -16.763 -21.830 -26.318 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -16.381 -22.653 -23.461 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -15.337 -23.194 -24.797 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.616 -22.448 -23.351 1.00 0.00 H new ATOM 1284 N HIS A 83 -14.411 -18.284 -25.923 1.00 0.00 N ATOM 1285 CA HIS A 83 -14.494 -17.076 -26.757 1.00 0.00 C ATOM 1286 C HIS A 83 -13.427 -17.075 -27.863 1.00 0.00 C ATOM 1287 O HIS A 83 -13.748 -16.842 -29.028 1.00 0.00 O ATOM 1288 CB HIS A 83 -14.380 -15.818 -25.876 1.00 0.00 C ATOM 1289 CG HIS A 83 -14.211 -14.542 -26.667 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -15.215 -13.784 -27.217 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -13.027 -13.940 -27.000 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -14.662 -12.749 -27.866 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -13.310 -12.795 -27.773 1.00 0.00 N ATOM 0 H HIS A 83 -14.257 -18.089 -24.934 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.465 -17.071 -27.251 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.273 -15.736 -25.256 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.532 -15.933 -25.201 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -16.214 -13.976 -27.144 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.043 -14.284 -26.718 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.217 -11.985 -28.390 1.00 0.00 H new ATOM 1301 N ILE A 84 -12.168 -17.384 -27.531 1.00 0.00 N ATOM 1302 CA ILE A 84 -11.078 -17.441 -28.517 1.00 0.00 C ATOM 1303 C ILE A 84 -11.337 -18.556 -29.542 1.00 0.00 C ATOM 1304 O ILE A 84 -11.243 -18.307 -30.744 1.00 0.00 O ATOM 1305 CB ILE A 84 -9.707 -17.560 -27.810 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -9.434 -16.283 -26.974 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -8.576 -17.756 -28.839 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -8.255 -16.406 -26.001 1.00 0.00 C ATOM 0 H ILE A 84 -11.875 -17.601 -26.578 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.049 -16.508 -29.079 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.734 -18.429 -27.152 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.244 -15.452 -27.653 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.332 -16.034 -26.409 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.621 -17.837 -28.319 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.757 -18.667 -29.410 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.549 -16.903 -29.517 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.133 -15.470 -25.457 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.449 -17.214 -25.295 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.344 -16.622 -26.559 1.00 0.00 H new ATOM 1320 N GLU A 85 -11.748 -19.745 -29.095 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.072 -20.882 -29.970 1.00 0.00 C ATOM 1322 C GLU A 85 -13.238 -20.615 -30.940 1.00 0.00 C ATOM 1323 O GLU A 85 -13.223 -21.124 -32.064 1.00 0.00 O ATOM 1324 CB GLU A 85 -12.385 -22.120 -29.117 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.105 -22.749 -28.547 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.359 -23.953 -27.621 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -12.522 -24.371 -27.403 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -10.356 -24.510 -27.111 1.00 0.00 O ATOM 0 H GLU A 85 -11.868 -19.951 -28.103 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.191 -21.049 -30.589 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.050 -21.841 -28.299 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.915 -22.856 -29.722 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.469 -23.067 -29.373 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.553 -21.988 -27.994 1.00 0.00 H new ATOM 1335 N ARG A 86 -14.236 -19.815 -30.537 1.00 0.00 N ATOM 1336 CA ARG A 86 -15.425 -19.500 -31.353 1.00 0.00 C ATOM 1337 C ARG A 86 -15.264 -18.265 -32.244 1.00 0.00 C ATOM 1338 O ARG A 86 -15.790 -18.256 -33.359 1.00 0.00 O ATOM 1339 CB ARG A 86 -16.656 -19.364 -30.442 1.00 0.00 C ATOM 1340 CG ARG A 86 -17.088 -20.720 -29.863 1.00 0.00 C ATOM 1341 CD ARG A 86 -18.334 -20.559 -28.990 1.00 0.00 C ATOM 1342 NE ARG A 86 -18.779 -21.855 -28.443 1.00 0.00 N ATOM 1343 CZ ARG A 86 -19.762 -22.054 -27.582 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -20.482 -21.074 -27.114 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -20.044 -23.257 -27.172 1.00 0.00 N ATOM 0 H ARG A 86 -14.243 -19.361 -29.624 1.00 0.00 H new ATOM 0 HA ARG A 86 -15.560 -20.334 -32.042 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -16.431 -18.676 -29.627 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -17.481 -18.930 -31.007 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.293 -21.419 -30.674 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -16.276 -21.145 -29.273 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.121 -19.871 -28.172 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.137 -20.115 -29.578 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.276 -22.683 -28.762 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.295 -20.116 -27.411 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.233 -21.264 -26.451 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.505 -24.052 -27.515 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.804 -23.404 -26.507 1.00 0.00 H new ATOM 1359 N VAL A 87 -14.562 -17.228 -31.773 1.00 0.00 N ATOM 1360 CA VAL A 87 -14.514 -15.902 -32.425 1.00 0.00 C ATOM 1361 C VAL A 87 -13.219 -15.653 -33.212 1.00 0.00 C ATOM 1362 O VAL A 87 -13.271 -15.009 -34.262 1.00 0.00 O ATOM 1363 CB VAL A 87 -14.774 -14.782 -31.390 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -14.861 -13.391 -32.034 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -16.103 -15.003 -30.648 1.00 0.00 C ATOM 0 H VAL A 87 -14.004 -17.280 -30.921 1.00 0.00 H new ATOM 0 HA VAL A 87 -15.312 -15.889 -33.167 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.926 -14.825 -30.707 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.044 -12.644 -31.262 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.923 -13.166 -32.542 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.677 -13.375 -32.756 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -16.256 -14.199 -29.928 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -16.924 -15.009 -31.365 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -16.073 -15.958 -30.124 1.00 0.00 H new ATOM 1375 N HIS A 88 -12.069 -16.163 -32.753 1.00 0.00 N ATOM 1376 CA HIS A 88 -10.748 -15.795 -33.301 1.00 0.00 C ATOM 1377 C HIS A 88 -9.947 -16.960 -33.908 1.00 0.00 C ATOM 1378 O HIS A 88 -9.195 -16.753 -34.865 1.00 0.00 O ATOM 1379 CB HIS A 88 -9.940 -15.097 -32.198 1.00 0.00 C ATOM 1380 CG HIS A 88 -10.622 -13.873 -31.642 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -10.907 -12.713 -32.327 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -11.065 -13.702 -30.361 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -11.498 -11.855 -31.483 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -11.617 -12.409 -30.253 1.00 0.00 N ATOM 0 H HIS A 88 -12.023 -16.841 -31.993 1.00 0.00 H new ATOM 0 HA HIS A 88 -10.932 -15.127 -34.142 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.759 -15.803 -31.388 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.966 -14.812 -32.596 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -11.003 -14.432 -29.567 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.832 -10.862 -31.747 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.022 -11.980 -29.421 1.00 0.00 H new