USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=23 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 139:sc= 2.16 USER MOD Set 1.2: A 70 CYS SG : rot -43:sc= 1.58 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.686 K(o=4.6,f=-2.1) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.151 K(o=4.6,f=-2.6) USER MOD Set 2.1: A 74 CYS SG : rot 146:sc= 0.25 USER MOD Set 2.2: A 79 HIS :FLIP no HD1:sc= 0.355 F(o=-0.19,f=0.6) USER MOD Set 3.1: A 45 TYR OH : rot 8:sc= 0.772 USER MOD Set 3.2: A 47 SER OG : rot 137:sc= 0.665 USER MOD Set 3.3: A 52 ASN : amide:sc= 1.32 K(o=2.8,f=1.1) USER MOD Set 4.1: A 40 CYS SG : rot 90:sc= 1.95 USER MOD Set 4.2: A 43 CYS SG : rot -41:sc= 0.824 USER MOD Set 4.3: A 56 HIS : no HE2:sc= 0.251 K(o=3.6,f=-2.6) USER MOD Set 4.4: A 60 HIS : no HD1:sc= 0.6 K(o=3.6,f=-3!) USER MOD Set 5.1: A 12 CYS SG : rot 110:sc= 1.99 USER MOD Set 5.2: A 15 CYS SG : rot -38:sc= 2.27 USER MOD Set 5.3: A 17 LYS NZ :NH3+ 167:sc= 1.41 (180deg=-0.229) USER MOD Set 5.4: A 28 HIS : no HD1:sc= 0.0866 K(o=5.8,f=2.3) 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 X(o=0,f=0) 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 23 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.037) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.43) 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 X(o=0,f=-0.25) USER MOD Single : A 44 SER OG : 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=0.000309 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 3.377 15.236 -3.029 1.00 0.00 N ATOM 110 CA PHE A 10 4.317 14.174 -2.651 1.00 0.00 C ATOM 111 C PHE A 10 5.425 14.016 -3.708 1.00 0.00 C ATOM 112 O PHE A 10 5.147 14.074 -4.905 1.00 0.00 O ATOM 113 CB PHE A 10 3.527 12.870 -2.443 1.00 0.00 C ATOM 114 CG PHE A 10 2.462 12.956 -1.362 1.00 0.00 C ATOM 115 CD1 PHE A 10 1.179 13.447 -1.667 1.00 0.00 C ATOM 116 CD2 PHE A 10 2.762 12.566 -0.042 1.00 0.00 C ATOM 117 CE1 PHE A 10 0.200 13.549 -0.662 1.00 0.00 C ATOM 118 CE2 PHE A 10 1.783 12.665 0.963 1.00 0.00 C ATOM 119 CZ PHE A 10 0.501 13.153 0.653 1.00 0.00 C ATOM 0 HA PHE A 10 4.817 14.435 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.053 12.591 -3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.224 12.072 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.945 13.747 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.746 12.190 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.782 13.931 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.016 12.366 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.252 13.224 1.424 1.00 0.00 H new ATOM 129 N THR A 11 6.679 13.804 -3.288 1.00 0.00 N ATOM 130 CA THR A 11 7.854 13.823 -4.178 1.00 0.00 C ATOM 131 C THR A 11 8.812 12.661 -3.889 1.00 0.00 C ATOM 132 O THR A 11 9.123 12.384 -2.727 1.00 0.00 O ATOM 133 CB THR A 11 8.592 15.168 -4.050 1.00 0.00 C ATOM 134 OG1 THR A 11 7.696 16.252 -4.223 1.00 0.00 O ATOM 135 CG2 THR A 11 9.685 15.345 -5.099 1.00 0.00 C ATOM 0 H THR A 11 6.912 13.613 -2.313 1.00 0.00 H new ATOM 0 HA THR A 11 7.495 13.703 -5.200 1.00 0.00 H new ATOM 0 HB THR A 11 9.033 15.160 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.184 17.097 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.170 16.311 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.423 14.550 -4.994 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.244 15.301 -6.095 1.00 0.00 H new ATOM 143 N CYS A 12 9.303 11.999 -4.941 1.00 0.00 N ATOM 144 CA CYS A 12 10.287 10.917 -4.873 1.00 0.00 C ATOM 145 C CYS A 12 11.684 11.439 -4.487 1.00 0.00 C ATOM 146 O CYS A 12 12.183 12.416 -5.053 1.00 0.00 O ATOM 147 CB CYS A 12 10.274 10.187 -6.222 1.00 0.00 C ATOM 148 SG CYS A 12 11.476 8.824 -6.229 1.00 0.00 S ATOM 0 H CYS A 12 9.015 12.210 -5.897 1.00 0.00 H new ATOM 0 HA CYS A 12 10.022 10.213 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.275 9.798 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.508 10.889 -7.023 1.00 0.00 H new ATOM 0 HG CYS A 12 10.844 7.688 -6.227 1.00 0.00 H new ATOM 153 N GLU A 13 12.335 10.767 -3.537 1.00 0.00 N ATOM 154 CA GLU A 13 13.697 11.091 -3.090 1.00 0.00 C ATOM 155 C GLU A 13 14.802 10.467 -3.968 1.00 0.00 C ATOM 156 O GLU A 13 15.977 10.808 -3.809 1.00 0.00 O ATOM 157 CB GLU A 13 13.861 10.736 -1.601 1.00 0.00 C ATOM 158 CG GLU A 13 13.832 9.230 -1.308 1.00 0.00 C ATOM 159 CD GLU A 13 13.956 8.968 0.206 1.00 0.00 C ATOM 160 OE1 GLU A 13 15.093 8.976 0.740 1.00 0.00 O ATOM 161 OE2 GLU A 13 12.917 8.760 0.880 1.00 0.00 O ATOM 0 H GLU A 13 11.928 9.970 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 13 13.828 12.167 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.805 11.147 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.067 11.221 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.903 8.799 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.648 8.736 -1.836 1.00 0.00 H new ATOM 168 N TYR A 14 14.440 9.571 -4.896 1.00 0.00 N ATOM 169 CA TYR A 14 15.382 8.822 -5.740 1.00 0.00 C ATOM 170 C TYR A 14 15.445 9.323 -7.196 1.00 0.00 C ATOM 171 O TYR A 14 16.509 9.235 -7.814 1.00 0.00 O ATOM 172 CB TYR A 14 15.013 7.333 -5.709 1.00 0.00 C ATOM 173 CG TYR A 14 15.080 6.672 -4.345 1.00 0.00 C ATOM 174 CD1 TYR A 14 16.319 6.239 -3.834 1.00 0.00 C ATOM 175 CD2 TYR A 14 13.901 6.465 -3.600 1.00 0.00 C ATOM 176 CE1 TYR A 14 16.382 5.599 -2.581 1.00 0.00 C ATOM 177 CE2 TYR A 14 13.960 5.825 -2.346 1.00 0.00 C ATOM 178 CZ TYR A 14 15.202 5.389 -1.833 1.00 0.00 C ATOM 179 OH TYR A 14 15.272 4.766 -0.624 1.00 0.00 O ATOM 0 H TYR A 14 13.464 9.342 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 14 16.377 8.983 -5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.002 7.219 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.678 6.797 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.222 6.398 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.951 6.798 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.334 5.268 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.056 5.668 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 14 14.374 4.700 -0.237 1.00 0.00 H new ATOM 189 N CYS A 15 14.337 9.849 -7.741 1.00 0.00 N ATOM 190 CA CYS A 15 14.253 10.376 -9.115 1.00 0.00 C ATOM 191 C CYS A 15 13.537 11.743 -9.255 1.00 0.00 C ATOM 192 O CYS A 15 13.331 12.227 -10.372 1.00 0.00 O ATOM 193 CB CYS A 15 13.710 9.289 -10.057 1.00 0.00 C ATOM 194 SG CYS A 15 11.973 8.903 -9.753 1.00 0.00 S ATOM 0 H CYS A 15 13.457 9.922 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 15 15.270 10.620 -9.422 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.829 9.617 -11.090 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.305 8.383 -9.940 1.00 0.00 H new ATOM 0 HG CYS A 15 11.741 8.927 -8.474 1.00 0.00 H new ATOM 199 N ASN A 16 13.193 12.392 -8.133 1.00 0.00 N ATOM 200 CA ASN A 16 12.607 13.743 -8.047 1.00 0.00 C ATOM 201 C ASN A 16 11.252 13.942 -8.771 1.00 0.00 C ATOM 202 O ASN A 16 10.807 15.079 -8.952 1.00 0.00 O ATOM 203 CB ASN A 16 13.670 14.807 -8.397 1.00 0.00 C ATOM 204 CG ASN A 16 14.930 14.688 -7.554 1.00 0.00 C ATOM 205 OD1 ASN A 16 15.963 14.204 -7.994 1.00 0.00 O ATOM 206 ND2 ASN A 16 14.891 15.118 -6.311 1.00 0.00 N ATOM 0 H ASN A 16 13.321 11.970 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 16 12.315 13.879 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.934 14.716 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.241 15.800 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.720 15.047 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.032 15.523 -5.938 1.00 0.00 H new ATOM 213 N LYS A 17 10.568 12.853 -9.153 1.00 0.00 N ATOM 214 CA LYS A 17 9.195 12.873 -9.685 1.00 0.00 C ATOM 215 C LYS A 17 8.183 13.334 -8.636 1.00 0.00 C ATOM 216 O LYS A 17 8.368 13.115 -7.438 1.00 0.00 O ATOM 217 CB LYS A 17 8.808 11.481 -10.196 1.00 0.00 C ATOM 218 CG LYS A 17 9.516 11.119 -11.501 1.00 0.00 C ATOM 219 CD LYS A 17 9.144 9.675 -11.869 1.00 0.00 C ATOM 220 CE LYS A 17 9.949 9.099 -13.035 1.00 0.00 C ATOM 221 NZ LYS A 17 11.416 9.146 -12.785 1.00 0.00 N ATOM 0 H LYS A 17 10.961 11.913 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 17 9.174 13.588 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.051 10.738 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.729 11.440 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.218 11.802 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.596 11.215 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.287 9.040 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.084 9.637 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.645 8.067 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.719 9.656 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.907 8.556 -13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.750 10.128 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.617 8.787 -11.830 1.00 0.00 H new ATOM 235 N VAL A 18 7.098 13.936 -9.113 1.00 0.00 N ATOM 236 CA VAL A 18 6.043 14.563 -8.298 1.00 0.00 C ATOM 237 C VAL A 18 4.698 13.853 -8.504 1.00 0.00 C ATOM 238 O VAL A 18 4.324 13.529 -9.634 1.00 0.00 O ATOM 239 CB VAL A 18 5.953 16.072 -8.605 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.902 16.764 -7.736 1.00 0.00 C ATOM 241 CG2 VAL A 18 7.290 16.783 -8.343 1.00 0.00 C ATOM 0 H VAL A 18 6.915 14.007 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 18 6.303 14.456 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 18 5.682 16.143 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.868 17.825 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.925 16.317 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.162 16.643 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.188 17.844 -8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.568 16.661 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.063 16.349 -8.977 1.00 0.00 H new ATOM 251 N PHE A 19 3.971 13.623 -7.408 1.00 0.00 N ATOM 252 CA PHE A 19 2.741 12.829 -7.329 1.00 0.00 C ATOM 253 C PHE A 19 1.662 13.532 -6.484 1.00 0.00 C ATOM 254 O PHE A 19 1.962 14.245 -5.521 1.00 0.00 O ATOM 255 CB PHE A 19 3.072 11.438 -6.756 1.00 0.00 C ATOM 256 CG PHE A 19 4.109 10.666 -7.556 1.00 0.00 C ATOM 257 CD1 PHE A 19 3.725 9.924 -8.690 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.469 10.733 -7.198 1.00 0.00 C ATOM 259 CE1 PHE A 19 4.699 9.282 -9.479 1.00 0.00 C ATOM 260 CE2 PHE A 19 6.440 10.089 -7.985 1.00 0.00 C ATOM 261 CZ PHE A 19 6.060 9.377 -9.139 1.00 0.00 C ATOM 0 H PHE A 19 4.239 14.007 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 19 2.332 12.719 -8.333 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.431 11.555 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.156 10.850 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.681 9.847 -8.955 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.767 11.281 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.400 8.715 -10.348 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.481 10.141 -7.703 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.809 8.907 -9.759 1.00 0.00 H new ATOM 271 N LYS A 20 0.387 13.314 -6.837 1.00 0.00 N ATOM 272 CA LYS A 20 -0.771 13.991 -6.220 1.00 0.00 C ATOM 273 C LYS A 20 -1.149 13.433 -4.840 1.00 0.00 C ATOM 274 O LYS A 20 -1.663 14.178 -4.003 1.00 0.00 O ATOM 275 CB LYS A 20 -1.949 13.933 -7.211 1.00 0.00 C ATOM 276 CG LYS A 20 -3.123 14.832 -6.795 1.00 0.00 C ATOM 277 CD LYS A 20 -4.193 14.895 -7.893 1.00 0.00 C ATOM 278 CE LYS A 20 -5.369 15.762 -7.429 1.00 0.00 C ATOM 279 NZ LYS A 20 -6.423 15.861 -8.475 1.00 0.00 N ATOM 0 H LYS A 20 0.124 12.654 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.498 15.028 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.601 14.232 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.298 12.904 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.566 14.453 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.757 15.837 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.765 15.307 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.542 13.890 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.797 15.340 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.009 16.760 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.203 16.455 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.020 16.287 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.783 14.911 -8.696 1.00 0.00 H new ATOM 293 N PHE A 21 -0.878 12.150 -4.589 1.00 0.00 N ATOM 294 CA PHE A 21 -1.287 11.436 -3.371 1.00 0.00 C ATOM 295 C PHE A 21 -0.163 10.577 -2.772 1.00 0.00 C ATOM 296 O PHE A 21 0.744 10.122 -3.476 1.00 0.00 O ATOM 297 CB PHE A 21 -2.510 10.557 -3.672 1.00 0.00 C ATOM 298 CG PHE A 21 -3.697 11.273 -4.297 1.00 0.00 C ATOM 299 CD1 PHE A 21 -4.508 12.115 -3.514 1.00 0.00 C ATOM 300 CD2 PHE A 21 -4.003 11.077 -5.658 1.00 0.00 C ATOM 301 CE1 PHE A 21 -5.625 12.753 -4.087 1.00 0.00 C ATOM 302 CE2 PHE A 21 -5.123 11.708 -6.229 1.00 0.00 C ATOM 303 CZ PHE A 21 -5.936 12.545 -5.443 1.00 0.00 C ATOM 0 H PHE A 21 -0.356 11.563 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.537 12.193 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.201 9.753 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.838 10.091 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.273 12.272 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.376 10.441 -6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.243 13.402 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.359 11.550 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.798 13.027 -5.880 1.00 0.00 H new ATOM 313 N LYS A 22 -0.278 10.286 -1.469 1.00 0.00 N ATOM 314 CA LYS A 22 0.650 9.426 -0.714 1.00 0.00 C ATOM 315 C LYS A 22 0.725 8.013 -1.292 1.00 0.00 C ATOM 316 O LYS A 22 1.817 7.473 -1.454 1.00 0.00 O ATOM 317 CB LYS A 22 0.208 9.421 0.762 1.00 0.00 C ATOM 318 CG LYS A 22 1.242 8.784 1.702 1.00 0.00 C ATOM 319 CD LYS A 22 0.828 9.005 3.167 1.00 0.00 C ATOM 320 CE LYS A 22 1.836 8.430 4.170 1.00 0.00 C ATOM 321 NZ LYS A 22 1.755 6.949 4.275 1.00 0.00 N ATOM 0 H LYS A 22 -1.038 10.650 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 22 1.661 9.827 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.019 10.446 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.735 8.881 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.324 7.717 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.225 9.220 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.713 10.074 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.146 8.546 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.844 8.715 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.659 8.871 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.456 6.611 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.802 6.675 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.951 6.524 3.346 1.00 0.00 H new ATOM 335 N HIS A 23 -0.420 7.439 -1.672 1.00 0.00 N ATOM 336 CA HIS A 23 -0.492 6.107 -2.283 1.00 0.00 C ATOM 337 C HIS A 23 0.144 6.059 -3.683 1.00 0.00 C ATOM 338 O HIS A 23 0.764 5.056 -4.035 1.00 0.00 O ATOM 339 CB HIS A 23 -1.945 5.605 -2.279 1.00 0.00 C ATOM 340 CG HIS A 23 -2.937 6.454 -3.041 1.00 0.00 C ATOM 341 ND1 HIS A 23 -3.863 7.316 -2.493 1.00 0.00 N ATOM 342 CD2 HIS A 23 -3.149 6.448 -4.395 1.00 0.00 C ATOM 343 CE1 HIS A 23 -4.610 7.820 -3.492 1.00 0.00 C ATOM 344 NE2 HIS A 23 -4.210 7.321 -4.674 1.00 0.00 N ATOM 0 H HIS A 23 -1.330 7.888 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 23 0.105 5.427 -1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.963 4.598 -2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.280 5.528 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.595 5.871 -5.121 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.417 8.526 -3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.601 7.535 -5.592 1.00 0.00 H new ATOM 352 N SER A 24 0.069 7.150 -4.458 1.00 0.00 N ATOM 353 CA SER A 24 0.721 7.262 -5.773 1.00 0.00 C ATOM 354 C SER A 24 2.248 7.230 -5.646 1.00 0.00 C ATOM 355 O SER A 24 2.907 6.466 -6.355 1.00 0.00 O ATOM 356 CB SER A 24 0.293 8.549 -6.486 1.00 0.00 C ATOM 357 OG SER A 24 -1.118 8.644 -6.591 1.00 0.00 O ATOM 0 H SER A 24 -0.449 7.986 -4.189 1.00 0.00 H new ATOM 0 HA SER A 24 0.404 6.403 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.677 9.412 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.735 8.578 -7.482 1.00 0.00 H new ATOM 0 HG SER A 24 -1.357 9.477 -7.049 1.00 0.00 H new ATOM 363 N LEU A 25 2.815 7.987 -4.697 1.00 0.00 N ATOM 364 CA LEU A 25 4.247 7.926 -4.388 1.00 0.00 C ATOM 365 C LEU A 25 4.650 6.555 -3.817 1.00 0.00 C ATOM 366 O LEU A 25 5.631 5.976 -4.274 1.00 0.00 O ATOM 367 CB LEU A 25 4.636 9.086 -3.448 1.00 0.00 C ATOM 368 CG LEU A 25 6.109 9.042 -2.990 1.00 0.00 C ATOM 369 CD1 LEU A 25 7.103 9.114 -4.151 1.00 0.00 C ATOM 370 CD2 LEU A 25 6.415 10.209 -2.056 1.00 0.00 C ATOM 0 H LEU A 25 2.296 8.654 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 25 4.805 8.044 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.450 10.032 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.990 9.063 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 25 6.228 8.084 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.120 9.079 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.941 8.270 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.956 10.045 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.458 10.161 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.235 11.149 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.771 10.152 -1.179 1.00 0.00 H new ATOM 382 N GLN A 26 3.897 5.990 -2.868 1.00 0.00 N ATOM 383 CA GLN A 26 4.213 4.678 -2.282 1.00 0.00 C ATOM 384 C GLN A 26 4.227 3.547 -3.322 1.00 0.00 C ATOM 385 O GLN A 26 5.112 2.690 -3.286 1.00 0.00 O ATOM 386 CB GLN A 26 3.223 4.359 -1.151 1.00 0.00 C ATOM 387 CG GLN A 26 3.554 5.120 0.148 1.00 0.00 C ATOM 388 CD GLN A 26 4.865 4.688 0.813 1.00 0.00 C ATOM 389 OE1 GLN A 26 5.379 3.593 0.626 1.00 0.00 O ATOM 390 NE2 GLN A 26 5.461 5.535 1.628 1.00 0.00 N ATOM 0 H GLN A 26 3.057 6.423 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 26 5.224 4.740 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.213 4.615 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.233 3.287 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.606 6.186 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.737 4.980 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.051 6.453 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.333 5.272 2.088 1.00 0.00 H new ATOM 399 N ALA A 27 3.306 3.566 -4.290 1.00 0.00 N ATOM 400 CA ALA A 27 3.290 2.607 -5.392 1.00 0.00 C ATOM 401 C ALA A 27 4.409 2.853 -6.425 1.00 0.00 C ATOM 402 O ALA A 27 4.908 1.891 -7.014 1.00 0.00 O ATOM 403 CB ALA A 27 1.904 2.642 -6.031 1.00 0.00 C ATOM 0 H ALA A 27 2.550 4.250 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 27 3.493 1.612 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.867 1.933 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.154 2.372 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.701 3.646 -6.404 1.00 0.00 H new ATOM 409 N HIS A 28 4.847 4.104 -6.609 1.00 0.00 N ATOM 410 CA HIS A 28 6.024 4.446 -7.414 1.00 0.00 C ATOM 411 C HIS A 28 7.335 3.972 -6.761 1.00 0.00 C ATOM 412 O HIS A 28 8.185 3.393 -7.437 1.00 0.00 O ATOM 413 CB HIS A 28 6.048 5.960 -7.674 1.00 0.00 C ATOM 414 CG HIS A 28 7.359 6.417 -8.260 1.00 0.00 C ATOM 415 ND1 HIS A 28 7.795 6.184 -9.540 1.00 0.00 N ATOM 416 CD2 HIS A 28 8.388 7.010 -7.578 1.00 0.00 C ATOM 417 CE1 HIS A 28 9.058 6.618 -9.638 1.00 0.00 C ATOM 418 NE2 HIS A 28 9.481 7.136 -8.458 1.00 0.00 N ATOM 0 H HIS A 28 4.388 4.917 -6.198 1.00 0.00 H new ATOM 0 HA HIS A 28 5.948 3.920 -8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.237 6.223 -8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.865 6.490 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.366 7.326 -6.546 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.658 6.563 -10.534 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.397 7.533 -8.251 1.00 0.00 H new ATOM 426 N LEU A 29 7.501 4.163 -5.445 1.00 0.00 N ATOM 427 CA LEU A 29 8.718 3.809 -4.696 1.00 0.00 C ATOM 428 C LEU A 29 9.097 2.319 -4.801 1.00 0.00 C ATOM 429 O LEU A 29 10.268 1.977 -4.619 1.00 0.00 O ATOM 430 CB LEU A 29 8.559 4.236 -3.221 1.00 0.00 C ATOM 431 CG LEU A 29 8.679 5.753 -2.961 1.00 0.00 C ATOM 432 CD1 LEU A 29 8.288 6.062 -1.516 1.00 0.00 C ATOM 433 CD2 LEU A 29 10.098 6.277 -3.183 1.00 0.00 C ATOM 0 H LEU A 29 6.778 4.577 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 29 9.544 4.353 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.586 3.898 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.313 3.721 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 29 8.012 6.244 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.374 7.134 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.259 5.747 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.951 5.526 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.125 7.349 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.784 5.767 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.398 6.090 -4.214 1.00 0.00 H new ATOM 445 N ARG A 30 8.153 1.445 -5.186 1.00 0.00 N ATOM 446 CA ARG A 30 8.389 0.014 -5.454 1.00 0.00 C ATOM 447 C ARG A 30 9.457 -0.263 -6.525 1.00 0.00 C ATOM 448 O ARG A 30 10.010 -1.362 -6.523 1.00 0.00 O ATOM 449 CB ARG A 30 7.071 -0.664 -5.863 1.00 0.00 C ATOM 450 CG ARG A 30 5.968 -0.557 -4.795 1.00 0.00 C ATOM 451 CD ARG A 30 4.706 -1.332 -5.193 1.00 0.00 C ATOM 452 NE ARG A 30 4.140 -0.844 -6.468 1.00 0.00 N ATOM 453 CZ ARG A 30 3.287 -1.481 -7.247 1.00 0.00 C ATOM 454 NH1 ARG A 30 2.738 -2.610 -6.909 1.00 0.00 N ATOM 455 NH2 ARG A 30 2.956 -1.001 -8.408 1.00 0.00 N ATOM 0 H ARG A 30 7.180 1.719 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 30 8.774 -0.402 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.713 -0.215 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.263 -1.717 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.344 -0.939 -3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.715 0.492 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.944 -2.392 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.959 -1.239 -4.405 1.00 0.00 H new ATOM 0 HE ARG A 30 4.440 0.081 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.962 -3.037 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.083 -3.069 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.357 -0.120 -8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.295 -1.505 -8.999 1.00 0.00 H new ATOM 469 N ILE A 31 9.772 0.689 -7.412 1.00 0.00 N ATOM 470 CA ILE A 31 10.841 0.528 -8.417 1.00 0.00 C ATOM 471 C ILE A 31 12.252 0.772 -7.854 1.00 0.00 C ATOM 472 O ILE A 31 13.234 0.271 -8.402 1.00 0.00 O ATOM 473 CB ILE A 31 10.583 1.390 -9.669 1.00 0.00 C ATOM 474 CG1 ILE A 31 10.925 2.887 -9.491 1.00 0.00 C ATOM 475 CG2 ILE A 31 9.157 1.155 -10.207 1.00 0.00 C ATOM 476 CD1 ILE A 31 10.740 3.702 -10.773 1.00 0.00 C ATOM 0 H ILE A 31 9.298 1.591 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 31 10.809 -0.520 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 31 11.288 1.052 -10.429 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.295 3.307 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.958 2.980 -9.154 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.995 1.773 -11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.036 0.104 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.430 1.422 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.996 4.744 -10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.390 3.306 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.702 3.637 -11.099 1.00 0.00 H new ATOM 570 N PRO A 37 10.309 -10.663 -7.891 1.00 0.00 N ATOM 571 CA PRO A 37 10.134 -11.694 -8.923 1.00 0.00 C ATOM 572 C PRO A 37 8.712 -12.256 -9.036 1.00 0.00 C ATOM 573 O PRO A 37 8.273 -12.621 -10.128 1.00 0.00 O ATOM 574 CB PRO A 37 11.107 -12.814 -8.539 1.00 0.00 C ATOM 575 CG PRO A 37 11.359 -12.621 -7.046 1.00 0.00 C ATOM 576 CD PRO A 37 11.267 -11.109 -6.887 1.00 0.00 C ATOM 0 HA PRO A 37 10.327 -11.254 -9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.680 -13.796 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.034 -12.744 -9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.616 -13.138 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.336 -13.001 -6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.936 -10.841 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.239 -10.640 -7.038 1.00 0.00 H new ATOM 584 N TYR A 38 7.991 -12.342 -7.917 1.00 0.00 N ATOM 585 CA TYR A 38 6.659 -12.945 -7.849 1.00 0.00 C ATOM 586 C TYR A 38 5.578 -11.926 -8.233 1.00 0.00 C ATOM 587 O TYR A 38 5.068 -11.188 -7.389 1.00 0.00 O ATOM 588 CB TYR A 38 6.433 -13.567 -6.464 1.00 0.00 C ATOM 589 CG TYR A 38 7.358 -14.730 -6.177 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.098 -15.990 -6.747 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.491 -14.544 -5.365 1.00 0.00 C ATOM 592 CE1 TYR A 38 7.968 -17.068 -6.489 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.363 -15.618 -5.104 1.00 0.00 C ATOM 594 CZ TYR A 38 9.102 -16.886 -5.667 1.00 0.00 C ATOM 595 OH TYR A 38 9.928 -17.939 -5.413 1.00 0.00 O ATOM 0 H TYR A 38 8.321 -11.989 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 38 6.589 -13.752 -8.578 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.574 -12.801 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.400 -13.905 -6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.234 -16.130 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.693 -13.572 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.767 -18.037 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.229 -15.472 -4.475 1.00 0.00 H new ATOM 0 HH TYR A 38 10.661 -17.647 -4.832 1.00 0.00 H new ATOM 605 N LYS A 39 5.245 -11.872 -9.525 1.00 0.00 N ATOM 606 CA LYS A 39 4.330 -10.886 -10.129 1.00 0.00 C ATOM 607 C LYS A 39 2.913 -11.439 -10.310 1.00 0.00 C ATOM 608 O LYS A 39 2.736 -12.599 -10.688 1.00 0.00 O ATOM 609 CB LYS A 39 4.920 -10.388 -11.458 1.00 0.00 C ATOM 610 CG LYS A 39 6.179 -9.538 -11.225 1.00 0.00 C ATOM 611 CD LYS A 39 6.918 -9.240 -12.534 1.00 0.00 C ATOM 612 CE LYS A 39 8.178 -8.418 -12.232 1.00 0.00 C ATOM 613 NZ LYS A 39 8.951 -8.131 -13.469 1.00 0.00 N ATOM 0 H LYS A 39 5.615 -12.534 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 39 4.235 -10.043 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.166 -11.240 -12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.174 -9.799 -11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.900 -8.600 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.848 -10.060 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.189 -10.171 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.267 -8.692 -13.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.896 -7.481 -11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.807 -8.960 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.796 -7.574 -13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.241 -9.026 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.358 -7.592 -14.132 1.00 0.00 H new ATOM 627 N CYS A 40 1.913 -10.592 -10.072 1.00 0.00 N ATOM 628 CA CYS A 40 0.498 -10.910 -10.258 1.00 0.00 C ATOM 629 C CYS A 40 0.139 -10.990 -11.763 1.00 0.00 C ATOM 630 O CYS A 40 0.501 -10.088 -12.528 1.00 0.00 O ATOM 631 CB CYS A 40 -0.325 -9.861 -9.503 1.00 0.00 C ATOM 632 SG CYS A 40 -2.102 -10.201 -9.637 1.00 0.00 S ATOM 0 H CYS A 40 2.068 -9.642 -9.736 1.00 0.00 H new ATOM 0 HA CYS A 40 0.268 -11.895 -9.851 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.032 -9.852 -8.453 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.110 -8.870 -9.903 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.472 -10.970 -8.657 1.00 0.00 H new ATOM 637 N PRO A 41 -0.582 -12.038 -12.208 1.00 0.00 N ATOM 638 CA PRO A 41 -1.100 -12.138 -13.570 1.00 0.00 C ATOM 639 C PRO A 41 -2.375 -11.300 -13.792 1.00 0.00 C ATOM 640 O PRO A 41 -2.829 -11.190 -14.933 1.00 0.00 O ATOM 641 CB PRO A 41 -1.347 -13.637 -13.776 1.00 0.00 C ATOM 642 CG PRO A 41 -1.735 -14.128 -12.382 1.00 0.00 C ATOM 643 CD PRO A 41 -0.918 -13.234 -11.450 1.00 0.00 C ATOM 0 HA PRO A 41 -0.396 -11.732 -14.297 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.141 -13.817 -14.501 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.456 -14.144 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.805 -14.023 -12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.490 -15.181 -12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.490 -12.979 -10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.016 -13.746 -11.115 1.00 0.00 H new ATOM 651 N GLN A 42 -2.966 -10.721 -12.735 1.00 0.00 N ATOM 652 CA GLN A 42 -4.248 -10.002 -12.794 1.00 0.00 C ATOM 653 C GLN A 42 -4.132 -8.478 -12.599 1.00 0.00 C ATOM 654 O GLN A 42 -4.962 -7.753 -13.157 1.00 0.00 O ATOM 655 CB GLN A 42 -5.235 -10.594 -11.767 1.00 0.00 C ATOM 656 CG GLN A 42 -5.534 -12.096 -11.927 1.00 0.00 C ATOM 657 CD GLN A 42 -6.207 -12.481 -13.247 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.764 -11.674 -13.981 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.205 -13.752 -13.596 1.00 0.00 N ATOM 0 H GLN A 42 -2.559 -10.740 -11.800 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.622 -10.144 -13.808 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.837 -10.425 -10.767 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.174 -10.045 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.599 -12.649 -11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.173 -12.414 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.748 -14.443 -13.002 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.661 -14.044 -14.461 1.00 0.00 H new ATOM 668 N CYS A 43 -3.145 -7.969 -11.840 1.00 0.00 N ATOM 669 CA CYS A 43 -2.980 -6.530 -11.590 1.00 0.00 C ATOM 670 C CYS A 43 -1.502 -6.096 -11.468 1.00 0.00 C ATOM 671 O CYS A 43 -0.580 -6.908 -11.586 1.00 0.00 O ATOM 672 CB CYS A 43 -3.838 -6.148 -10.369 1.00 0.00 C ATOM 673 SG CYS A 43 -3.165 -6.805 -8.831 1.00 0.00 S ATOM 0 H CYS A 43 -2.439 -8.547 -11.383 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.335 -5.973 -12.457 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.905 -5.062 -10.300 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.852 -6.522 -10.509 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.738 -8.017 -9.027 1.00 0.00 H new ATOM 678 N SER A 44 -1.271 -4.799 -11.245 1.00 0.00 N ATOM 679 CA SER A 44 0.051 -4.150 -11.150 1.00 0.00 C ATOM 680 C SER A 44 0.781 -4.424 -9.817 1.00 0.00 C ATOM 681 O SER A 44 1.360 -3.517 -9.210 1.00 0.00 O ATOM 682 CB SER A 44 -0.084 -2.640 -11.419 1.00 0.00 C ATOM 683 OG SER A 44 -0.764 -2.387 -12.643 1.00 0.00 O ATOM 0 H SER A 44 -2.035 -4.135 -11.119 1.00 0.00 H new ATOM 0 HA SER A 44 0.680 -4.598 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.625 -2.170 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.906 -2.185 -11.451 1.00 0.00 H new ATOM 0 HG SER A 44 -0.835 -1.420 -12.784 1.00 0.00 H new ATOM 689 N TYR A 45 0.730 -5.667 -9.337 1.00 0.00 N ATOM 690 CA TYR A 45 1.276 -6.134 -8.060 1.00 0.00 C ATOM 691 C TYR A 45 2.493 -7.056 -8.240 1.00 0.00 C ATOM 692 O TYR A 45 2.522 -7.898 -9.142 1.00 0.00 O ATOM 693 CB TYR A 45 0.152 -6.834 -7.286 1.00 0.00 C ATOM 694 CG TYR A 45 0.553 -7.278 -5.889 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.121 -8.549 -5.657 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.366 -6.385 -4.816 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.502 -8.924 -4.351 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.737 -6.760 -3.513 1.00 0.00 C ATOM 699 CZ TYR A 45 1.308 -8.028 -3.275 1.00 0.00 C ATOM 700 OH TYR A 45 1.660 -8.360 -2.004 1.00 0.00 O ATOM 0 H TYR A 45 0.281 -6.419 -9.859 1.00 0.00 H new ATOM 0 HA TYR A 45 1.641 -5.275 -7.497 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.700 -6.159 -7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.179 -7.704 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.264 -9.235 -6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.063 -5.410 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.941 -9.895 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.584 -6.075 -2.692 1.00 0.00 H new ATOM 0 HH TYR A 45 2.158 -9.204 -2.012 1.00 0.00 H new ATOM 710 N ALA A 46 3.488 -6.925 -7.357 1.00 0.00 N ATOM 711 CA ALA A 46 4.650 -7.813 -7.287 1.00 0.00 C ATOM 712 C ALA A 46 5.159 -8.008 -5.843 1.00 0.00 C ATOM 713 O ALA A 46 4.981 -7.137 -4.988 1.00 0.00 O ATOM 714 CB ALA A 46 5.744 -7.265 -8.209 1.00 0.00 C ATOM 0 H ALA A 46 3.507 -6.183 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 46 4.354 -8.806 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.616 -7.917 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.371 -7.224 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.025 -6.263 -7.885 1.00 0.00 H new ATOM 720 N SER A 47 5.825 -9.137 -5.590 1.00 0.00 N ATOM 721 CA SER A 47 6.369 -9.541 -4.287 1.00 0.00 C ATOM 722 C SER A 47 7.714 -10.273 -4.404 1.00 0.00 C ATOM 723 O SER A 47 8.126 -10.701 -5.485 1.00 0.00 O ATOM 724 CB SER A 47 5.339 -10.428 -3.578 1.00 0.00 C ATOM 725 OG SER A 47 5.727 -10.668 -2.237 1.00 0.00 O ATOM 0 H SER A 47 6.009 -9.827 -6.319 1.00 0.00 H new ATOM 0 HA SER A 47 6.562 -8.638 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.361 -9.947 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.240 -11.375 -4.109 1.00 0.00 H new ATOM 0 HG SER A 47 4.946 -10.584 -1.650 1.00 0.00 H new ATOM 731 N ALA A 48 8.395 -10.443 -3.268 1.00 0.00 N ATOM 732 CA ALA A 48 9.602 -11.254 -3.110 1.00 0.00 C ATOM 733 C ALA A 48 9.328 -12.660 -2.522 1.00 0.00 C ATOM 734 O ALA A 48 10.273 -13.432 -2.339 1.00 0.00 O ATOM 735 CB ALA A 48 10.606 -10.445 -2.278 1.00 0.00 C ATOM 0 H ALA A 48 8.107 -9.999 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 48 10.022 -11.464 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.518 -11.026 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.841 -9.515 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.173 -10.219 -1.304 1.00 0.00 H new ATOM 741 N ILE A 49 8.062 -13.012 -2.236 1.00 0.00 N ATOM 742 CA ILE A 49 7.668 -14.289 -1.608 1.00 0.00 C ATOM 743 C ILE A 49 6.477 -14.930 -2.350 1.00 0.00 C ATOM 744 O ILE A 49 5.445 -14.288 -2.565 1.00 0.00 O ATOM 745 CB ILE A 49 7.359 -14.092 -0.098 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.455 -13.277 0.632 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.164 -15.460 0.587 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.208 -13.051 2.130 1.00 0.00 C ATOM 0 H ILE A 49 7.267 -12.406 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 49 8.509 -14.977 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 49 6.436 -13.515 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.409 -13.790 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.550 -12.307 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.948 -15.310 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.333 -15.986 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.073 -16.052 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.030 -12.471 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.273 -12.508 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.146 -14.013 2.638 1.00 0.00 H new ATOM 760 N LYS A 50 6.583 -16.226 -2.683 1.00 0.00 N ATOM 761 CA LYS A 50 5.533 -17.003 -3.378 1.00 0.00 C ATOM 762 C LYS A 50 4.252 -17.156 -2.548 1.00 0.00 C ATOM 763 O LYS A 50 3.152 -17.000 -3.074 1.00 0.00 O ATOM 764 CB LYS A 50 6.113 -18.376 -3.770 1.00 0.00 C ATOM 765 CG LYS A 50 5.182 -19.283 -4.595 1.00 0.00 C ATOM 766 CD LYS A 50 4.636 -18.662 -5.893 1.00 0.00 C ATOM 767 CE LYS A 50 3.815 -19.709 -6.654 1.00 0.00 C ATOM 768 NZ LYS A 50 3.279 -19.176 -7.935 1.00 0.00 N ATOM 0 H LYS A 50 7.415 -16.778 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 50 5.237 -16.453 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.029 -18.214 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.392 -18.905 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.722 -20.195 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.339 -19.575 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.016 -17.796 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.459 -18.308 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.438 -20.580 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.989 -20.046 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.731 -19.917 -8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.664 -18.360 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.068 -18.878 -8.544 1.00 0.00 H new ATOM 782 N ALA A 51 4.386 -17.404 -1.243 1.00 0.00 N ATOM 783 CA ALA A 51 3.256 -17.508 -0.313 1.00 0.00 C ATOM 784 C ALA A 51 2.481 -16.182 -0.178 1.00 0.00 C ATOM 785 O ALA A 51 1.251 -16.186 -0.118 1.00 0.00 O ATOM 786 CB ALA A 51 3.791 -17.992 1.041 1.00 0.00 C ATOM 0 H ALA A 51 5.293 -17.540 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 51 2.537 -18.227 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.966 -18.077 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.265 -18.966 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.522 -17.278 1.420 1.00 0.00 H new ATOM 792 N ASN A 52 3.176 -15.039 -0.214 1.00 0.00 N ATOM 793 CA ASN A 52 2.537 -13.722 -0.236 1.00 0.00 C ATOM 794 C ASN A 52 1.764 -13.488 -1.547 1.00 0.00 C ATOM 795 O ASN A 52 0.631 -13.005 -1.502 1.00 0.00 O ATOM 796 CB ASN A 52 3.606 -12.649 0.014 1.00 0.00 C ATOM 797 CG ASN A 52 3.025 -11.249 -0.062 1.00 0.00 C ATOM 798 OD1 ASN A 52 3.096 -10.594 -1.089 1.00 0.00 O ATOM 799 ND2 ASN A 52 2.420 -10.759 0.996 1.00 0.00 N ATOM 0 H ASN A 52 4.195 -15.003 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 52 1.793 -13.665 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.055 -12.804 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.404 -12.752 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.007 -9.827 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.363 -11.310 1.852 1.00 0.00 H new ATOM 806 N LEU A 53 2.306 -13.905 -2.700 1.00 0.00 N ATOM 807 CA LEU A 53 1.569 -13.869 -3.968 1.00 0.00 C ATOM 808 C LEU A 53 0.344 -14.803 -3.955 1.00 0.00 C ATOM 809 O LEU A 53 -0.698 -14.433 -4.485 1.00 0.00 O ATOM 810 CB LEU A 53 2.520 -14.161 -5.143 1.00 0.00 C ATOM 811 CG LEU A 53 1.825 -14.103 -6.520 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.226 -12.728 -6.824 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.818 -14.425 -7.629 1.00 0.00 C ATOM 0 H LEU A 53 3.255 -14.272 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 53 1.171 -12.863 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.339 -13.441 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.961 -15.149 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 53 1.021 -14.838 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.751 -12.747 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.484 -12.479 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.016 -11.977 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.313 -14.380 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.631 -13.700 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.221 -15.426 -7.477 1.00 0.00 H new ATOM 825 N ASN A 54 0.410 -15.968 -3.304 1.00 0.00 N ATOM 826 CA ASN A 54 -0.754 -16.846 -3.132 1.00 0.00 C ATOM 827 C ASN A 54 -1.874 -16.172 -2.312 1.00 0.00 C ATOM 828 O ASN A 54 -3.039 -16.209 -2.710 1.00 0.00 O ATOM 829 CB ASN A 54 -0.287 -18.181 -2.524 1.00 0.00 C ATOM 830 CG ASN A 54 -1.433 -19.167 -2.375 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.922 -19.737 -3.340 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.913 -19.390 -1.171 1.00 0.00 N ATOM 0 H ASN A 54 1.266 -16.329 -2.883 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.200 -17.048 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.487 -18.617 -3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.164 -17.998 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.691 -20.037 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.507 -18.916 -0.364 1.00 0.00 H new ATOM 839 N VAL A 55 -1.533 -15.482 -1.218 1.00 0.00 N ATOM 840 CA VAL A 55 -2.489 -14.677 -0.424 1.00 0.00 C ATOM 841 C VAL A 55 -3.023 -13.476 -1.217 1.00 0.00 C ATOM 842 O VAL A 55 -4.192 -13.116 -1.078 1.00 0.00 O ATOM 843 CB VAL A 55 -1.849 -14.248 0.911 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.727 -13.295 1.735 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.573 -15.476 1.785 1.00 0.00 C ATOM 0 H VAL A 55 -0.582 -15.461 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.352 -15.303 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.932 -13.726 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.213 -13.036 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.919 -12.389 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.673 -13.783 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.121 -15.159 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.509 -15.995 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.892 -16.148 1.263 1.00 0.00 H new ATOM 855 N HIS A 56 -2.218 -12.894 -2.105 1.00 0.00 N ATOM 856 CA HIS A 56 -2.662 -11.846 -3.029 1.00 0.00 C ATOM 857 C HIS A 56 -3.632 -12.371 -4.113 1.00 0.00 C ATOM 858 O HIS A 56 -4.649 -11.739 -4.390 1.00 0.00 O ATOM 859 CB HIS A 56 -1.435 -11.158 -3.639 1.00 0.00 C ATOM 860 CG HIS A 56 -1.826 -10.104 -4.633 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.253 -8.832 -4.339 1.00 0.00 N ATOM 862 CD2 HIS A 56 -1.959 -10.278 -5.983 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.643 -8.247 -5.479 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.496 -9.096 -6.524 1.00 0.00 N ATOM 0 H HIS A 56 -1.232 -13.137 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.237 -11.114 -2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.839 -10.707 -2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.805 -11.902 -4.127 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.270 -8.406 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.697 -11.168 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.022 -7.239 -5.554 1.00 0.00 H new ATOM 872 N LEU A 57 -3.383 -13.547 -4.697 1.00 0.00 N ATOM 873 CA LEU A 57 -4.288 -14.193 -5.665 1.00 0.00 C ATOM 874 C LEU A 57 -5.644 -14.560 -5.041 1.00 0.00 C ATOM 875 O LEU A 57 -6.681 -14.452 -5.700 1.00 0.00 O ATOM 876 CB LEU A 57 -3.600 -15.441 -6.231 1.00 0.00 C ATOM 877 CG LEU A 57 -2.459 -15.150 -7.219 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.616 -16.412 -7.391 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.991 -14.731 -8.589 1.00 0.00 C ATOM 0 H LEU A 57 -2.538 -14.087 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.496 -13.483 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.205 -16.029 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.348 -16.057 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.864 -14.331 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.804 -16.214 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.201 -16.707 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.241 -17.217 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.154 -14.534 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.606 -15.531 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.593 -13.828 -8.485 1.00 0.00 H new ATOM 891 N ARG A 58 -5.664 -14.885 -3.741 1.00 0.00 N ATOM 892 CA ARG A 58 -6.898 -15.075 -2.947 1.00 0.00 C ATOM 893 C ARG A 58 -7.765 -13.806 -2.822 1.00 0.00 C ATOM 894 O ARG A 58 -8.929 -13.916 -2.436 1.00 0.00 O ATOM 895 CB ARG A 58 -6.550 -15.671 -1.569 1.00 0.00 C ATOM 896 CG ARG A 58 -6.101 -17.141 -1.665 1.00 0.00 C ATOM 897 CD ARG A 58 -5.474 -17.645 -0.355 1.00 0.00 C ATOM 898 NE ARG A 58 -6.430 -17.629 0.774 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.333 -18.548 1.075 1.00 0.00 C ATOM 900 NH1 ARG A 58 -7.497 -19.628 0.365 1.00 0.00 N ATOM 901 NH2 ARG A 58 -8.104 -18.394 2.114 1.00 0.00 N ATOM 0 H ARG A 58 -4.812 -15.027 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.521 -15.782 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.757 -15.080 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.419 -15.601 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.958 -17.765 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.379 -17.246 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.105 -18.660 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.613 -17.025 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.388 -16.817 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.917 -19.790 -0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.205 -20.311 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.013 -17.563 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.799 -19.104 2.343 1.00 0.00 H new ATOM 915 N LYS A 59 -7.258 -12.622 -3.204 1.00 0.00 N ATOM 916 CA LYS A 59 -8.040 -11.372 -3.345 1.00 0.00 C ATOM 917 C LYS A 59 -8.765 -11.256 -4.698 1.00 0.00 C ATOM 918 O LYS A 59 -9.744 -10.515 -4.799 1.00 0.00 O ATOM 919 CB LYS A 59 -7.144 -10.134 -3.136 1.00 0.00 C ATOM 920 CG LYS A 59 -6.335 -10.161 -1.829 1.00 0.00 C ATOM 921 CD LYS A 59 -5.556 -8.854 -1.628 1.00 0.00 C ATOM 922 CE LYS A 59 -4.684 -8.885 -0.362 1.00 0.00 C ATOM 923 NZ LYS A 59 -5.492 -8.870 0.888 1.00 0.00 N ATOM 0 H LYS A 59 -6.271 -12.500 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.804 -11.413 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.455 -10.051 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.768 -9.241 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.007 -10.319 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.641 -11.001 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.924 -8.672 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.257 -8.022 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.060 -9.779 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.012 -8.027 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.858 -8.892 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.069 -8.005 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.115 -9.702 0.909 1.00 0.00 H new ATOM 937 N HIS A 60 -8.299 -11.971 -5.729 1.00 0.00 N ATOM 938 CA HIS A 60 -8.842 -11.916 -7.096 1.00 0.00 C ATOM 939 C HIS A 60 -9.971 -12.931 -7.361 1.00 0.00 C ATOM 940 O HIS A 60 -10.826 -12.683 -8.216 1.00 0.00 O ATOM 941 CB HIS A 60 -7.693 -12.087 -8.105 1.00 0.00 C ATOM 942 CG HIS A 60 -6.785 -10.886 -8.185 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.156 -9.631 -8.608 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.447 -10.834 -7.891 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.083 -8.831 -8.566 1.00 0.00 C ATOM 946 NE2 HIS A 60 -4.993 -9.521 -8.152 1.00 0.00 N ATOM 0 H HIS A 60 -7.517 -12.619 -5.636 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.306 -10.938 -7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.104 -12.961 -7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.112 -12.283 -9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.845 -11.653 -7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.086 -7.783 -8.826 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.042 -9.167 -8.050 1.00 0.00 H new ATOM 1012 N PHE A 65 -22.677 -13.996 -9.395 1.00 0.00 N ATOM 1013 CA PHE A 65 -23.763 -13.019 -9.468 1.00 0.00 C ATOM 1014 C PHE A 65 -24.925 -13.605 -10.288 1.00 0.00 C ATOM 1015 O PHE A 65 -24.694 -14.415 -11.192 1.00 0.00 O ATOM 1016 CB PHE A 65 -23.224 -11.715 -10.080 1.00 0.00 C ATOM 1017 CG PHE A 65 -21.996 -11.154 -9.385 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -22.139 -10.318 -8.261 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -20.709 -11.503 -9.839 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -20.998 -9.835 -7.594 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -19.570 -11.022 -9.169 1.00 0.00 C ATOM 1022 CZ PHE A 65 -19.715 -10.185 -8.048 1.00 0.00 C ATOM 0 HA PHE A 65 -24.144 -12.792 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.983 -11.893 -11.128 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -24.014 -10.964 -10.057 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -23.124 -10.048 -7.911 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -20.597 -12.141 -10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -21.109 -9.194 -6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -18.584 -11.295 -9.515 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.840 -9.811 -7.536 1.00 0.00 H new ATOM 1032 N ALA A 66 -26.166 -13.208 -9.993 1.00 0.00 N ATOM 1033 CA ALA A 66 -27.381 -13.771 -10.595 1.00 0.00 C ATOM 1034 C ALA A 66 -28.319 -12.694 -11.170 1.00 0.00 C ATOM 1035 O ALA A 66 -28.480 -11.617 -10.587 1.00 0.00 O ATOM 1036 CB ALA A 66 -28.092 -14.634 -9.545 1.00 0.00 C ATOM 0 H ALA A 66 -26.360 -12.471 -9.315 1.00 0.00 H new ATOM 0 HA ALA A 66 -27.091 -14.386 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.998 -15.060 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.429 -15.438 -9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -28.355 -14.018 -8.685 1.00 0.00 H new ATOM 1042 N CYS A 67 -28.957 -13.009 -12.302 1.00 0.00 N ATOM 1043 CA CYS A 67 -29.899 -12.140 -13.006 1.00 0.00 C ATOM 1044 C CYS A 67 -31.170 -11.869 -12.176 1.00 0.00 C ATOM 1045 O CYS A 67 -31.677 -12.736 -11.458 1.00 0.00 O ATOM 1046 CB CYS A 67 -30.175 -12.786 -14.370 1.00 0.00 C ATOM 1047 SG CYS A 67 -31.165 -11.698 -15.441 1.00 0.00 S ATOM 0 H CYS A 67 -28.826 -13.907 -12.767 1.00 0.00 H new ATOM 0 HA CYS A 67 -29.474 -11.148 -13.160 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -29.230 -13.018 -14.861 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -30.700 -13.731 -14.226 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.708 -11.753 -16.657 1.00 0.00 H new ATOM 1052 N ASP A 68 -31.687 -10.644 -12.284 1.00 0.00 N ATOM 1053 CA ASP A 68 -32.934 -10.206 -11.643 1.00 0.00 C ATOM 1054 C ASP A 68 -34.181 -10.505 -12.505 1.00 0.00 C ATOM 1055 O ASP A 68 -35.314 -10.370 -12.036 1.00 0.00 O ATOM 1056 CB ASP A 68 -32.810 -8.712 -11.304 1.00 0.00 C ATOM 1057 CG ASP A 68 -33.933 -8.219 -10.370 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -34.057 -8.747 -9.237 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -34.662 -7.266 -10.738 1.00 0.00 O ATOM 0 H ASP A 68 -31.241 -9.909 -12.833 1.00 0.00 H new ATOM 0 HA ASP A 68 -33.079 -10.776 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -31.844 -8.530 -10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -32.829 -8.131 -12.226 1.00 0.00 H new ATOM 1064 N TYR A 69 -33.977 -10.924 -13.761 1.00 0.00 N ATOM 1065 CA TYR A 69 -35.020 -11.062 -14.786 1.00 0.00 C ATOM 1066 C TYR A 69 -35.178 -12.502 -15.324 1.00 0.00 C ATOM 1067 O TYR A 69 -36.240 -12.836 -15.856 1.00 0.00 O ATOM 1068 CB TYR A 69 -34.699 -10.097 -15.935 1.00 0.00 C ATOM 1069 CG TYR A 69 -34.552 -8.639 -15.542 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -35.687 -7.808 -15.478 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -33.277 -8.115 -15.250 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -35.548 -6.454 -15.121 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -33.136 -6.762 -14.885 1.00 0.00 C ATOM 1074 CZ TYR A 69 -34.273 -5.925 -14.825 1.00 0.00 C ATOM 1075 OH TYR A 69 -34.146 -4.611 -14.485 1.00 0.00 O ATOM 0 H TYR A 69 -33.052 -11.185 -14.102 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.974 -10.818 -14.320 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.774 -10.422 -16.411 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -35.488 -10.176 -16.683 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -36.664 -8.210 -15.703 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.407 -8.752 -15.306 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -36.419 -5.818 -15.073 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.159 -6.364 -14.651 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.203 -4.408 -14.311 1.00 0.00 H new ATOM 1085 N CYS A 70 -34.150 -13.351 -15.184 1.00 0.00 N ATOM 1086 CA CYS A 70 -34.166 -14.779 -15.535 1.00 0.00 C ATOM 1087 C CYS A 70 -33.295 -15.630 -14.574 1.00 0.00 C ATOM 1088 O CYS A 70 -32.879 -15.165 -13.509 1.00 0.00 O ATOM 1089 CB CYS A 70 -33.781 -14.949 -17.018 1.00 0.00 C ATOM 1090 SG CYS A 70 -32.022 -14.620 -17.300 1.00 0.00 S ATOM 0 H CYS A 70 -33.250 -13.051 -14.809 1.00 0.00 H new ATOM 0 HA CYS A 70 -35.178 -15.163 -15.407 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -34.017 -15.963 -17.341 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -34.379 -14.273 -17.628 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.668 -13.558 -16.639 1.00 0.00 H new ATOM 1095 N SER A 71 -33.040 -16.892 -14.935 1.00 0.00 N ATOM 1096 CA SER A 71 -32.247 -17.863 -14.163 1.00 0.00 C ATOM 1097 C SER A 71 -30.724 -17.785 -14.395 1.00 0.00 C ATOM 1098 O SER A 71 -29.972 -18.558 -13.793 1.00 0.00 O ATOM 1099 CB SER A 71 -32.768 -19.279 -14.451 1.00 0.00 C ATOM 1100 OG SER A 71 -32.701 -19.571 -15.842 1.00 0.00 O ATOM 0 H SER A 71 -33.393 -17.284 -15.808 1.00 0.00 H new ATOM 0 HA SER A 71 -32.380 -17.605 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 71 -32.180 -20.008 -13.894 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.798 -19.369 -14.105 1.00 0.00 H new ATOM 0 HG SER A 71 -33.036 -20.478 -16.002 1.00 0.00 H new ATOM 1106 N PHE A 72 -30.246 -16.874 -15.251 1.00 0.00 N ATOM 1107 CA PHE A 72 -28.828 -16.734 -15.615 1.00 0.00 C ATOM 1108 C PHE A 72 -27.915 -16.359 -14.429 1.00 0.00 C ATOM 1109 O PHE A 72 -28.291 -15.580 -13.550 1.00 0.00 O ATOM 1110 CB PHE A 72 -28.714 -15.695 -16.738 1.00 0.00 C ATOM 1111 CG PHE A 72 -27.308 -15.421 -17.242 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -26.695 -16.298 -18.156 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -26.619 -14.273 -16.809 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -25.400 -16.025 -18.635 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -25.327 -13.997 -17.290 1.00 0.00 C ATOM 1116 CZ PHE A 72 -24.717 -14.875 -18.205 1.00 0.00 C ATOM 0 H PHE A 72 -30.847 -16.197 -15.722 1.00 0.00 H new ATOM 0 HA PHE A 72 -28.476 -17.709 -15.951 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -29.323 -16.027 -17.579 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -29.143 -14.757 -16.385 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -27.219 -17.181 -18.490 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -27.085 -13.601 -16.104 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -24.930 -16.701 -19.334 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -24.804 -13.113 -16.958 1.00 0.00 H new ATOM 0 HZ PHE A 72 -23.725 -14.665 -18.576 1.00 0.00 H new ATOM 1126 N THR A 73 -26.680 -16.875 -14.445 1.00 0.00 N ATOM 1127 CA THR A 73 -25.601 -16.547 -13.497 1.00 0.00 C ATOM 1128 C THR A 73 -24.263 -16.322 -14.210 1.00 0.00 C ATOM 1129 O THR A 73 -24.011 -16.882 -15.281 1.00 0.00 O ATOM 1130 CB THR A 73 -25.411 -17.632 -12.418 1.00 0.00 C ATOM 1131 OG1 THR A 73 -25.152 -18.893 -13.004 1.00 0.00 O ATOM 1132 CG2 THR A 73 -26.625 -17.794 -11.506 1.00 0.00 C ATOM 0 H THR A 73 -26.391 -17.559 -15.144 1.00 0.00 H new ATOM 0 HA THR A 73 -25.914 -15.622 -13.012 1.00 0.00 H new ATOM 0 HB THR A 73 -24.564 -17.293 -11.822 1.00 0.00 H new ATOM 0 HG1 THR A 73 -25.034 -19.563 -12.299 1.00 0.00 H new ATOM 0 HG21 THR A 73 -26.426 -18.573 -10.770 1.00 0.00 H new ATOM 0 HG22 THR A 73 -26.824 -16.853 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 73 -27.494 -18.073 -12.103 1.00 0.00 H new ATOM 1140 N CYS A 74 -23.386 -15.509 -13.612 1.00 0.00 N ATOM 1141 CA CYS A 74 -22.027 -15.252 -14.098 1.00 0.00 C ATOM 1142 C CYS A 74 -21.034 -15.052 -12.937 1.00 0.00 C ATOM 1143 O CYS A 74 -21.423 -14.646 -11.842 1.00 0.00 O ATOM 1144 CB CYS A 74 -22.066 -14.030 -15.029 1.00 0.00 C ATOM 1145 SG CYS A 74 -20.508 -13.896 -15.954 1.00 0.00 S ATOM 0 H CYS A 74 -23.607 -15.000 -12.756 1.00 0.00 H new ATOM 0 HA CYS A 74 -21.671 -16.120 -14.653 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -22.903 -14.118 -15.722 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -22.230 -13.124 -14.445 1.00 0.00 H new ATOM 0 HG CYS A 74 -20.747 -13.419 -17.139 1.00 0.00 H new ATOM 1151 N LEU A 75 -19.741 -15.290 -13.176 1.00 0.00 N ATOM 1152 CA LEU A 75 -18.658 -15.033 -12.215 1.00 0.00 C ATOM 1153 C LEU A 75 -18.225 -13.549 -12.180 1.00 0.00 C ATOM 1154 O LEU A 75 -17.456 -13.159 -11.299 1.00 0.00 O ATOM 1155 CB LEU A 75 -17.463 -15.963 -12.520 1.00 0.00 C ATOM 1156 CG LEU A 75 -17.620 -17.423 -12.049 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -18.652 -18.227 -12.846 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -16.279 -18.147 -12.187 1.00 0.00 C ATOM 0 H LEU A 75 -19.408 -15.675 -14.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.040 -15.253 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.291 -15.963 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.571 -15.544 -12.055 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.963 -17.365 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.704 -19.243 -12.454 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.630 -17.754 -12.757 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.358 -18.258 -13.895 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.387 -19.179 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.963 -18.133 -13.230 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.530 -17.645 -11.574 1.00 0.00 H new ATOM 1170 N SER A 76 -18.712 -12.718 -13.113 1.00 0.00 N ATOM 1171 CA SER A 76 -18.389 -11.286 -13.230 1.00 0.00 C ATOM 1172 C SER A 76 -19.650 -10.421 -13.334 1.00 0.00 C ATOM 1173 O SER A 76 -20.477 -10.610 -14.231 1.00 0.00 O ATOM 1174 CB SER A 76 -17.495 -11.034 -14.454 1.00 0.00 C ATOM 1175 OG SER A 76 -16.232 -11.665 -14.310 1.00 0.00 O ATOM 0 H SER A 76 -19.363 -13.034 -13.832 1.00 0.00 H new ATOM 0 HA SER A 76 -17.857 -11.004 -12.322 1.00 0.00 H new ATOM 0 HB2 SER A 76 -17.990 -11.407 -15.351 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.355 -9.962 -14.590 1.00 0.00 H new ATOM 0 HG SER A 76 -15.686 -11.489 -15.104 1.00 0.00 H new ATOM 1181 N LYS A 77 -19.782 -9.422 -12.450 1.00 0.00 N ATOM 1182 CA LYS A 77 -20.951 -8.523 -12.389 1.00 0.00 C ATOM 1183 C LYS A 77 -21.062 -7.599 -13.611 1.00 0.00 C ATOM 1184 O LYS A 77 -22.169 -7.300 -14.055 1.00 0.00 O ATOM 1185 CB LYS A 77 -20.903 -7.741 -11.065 1.00 0.00 C ATOM 1186 CG LYS A 77 -22.248 -7.076 -10.732 1.00 0.00 C ATOM 1187 CD LYS A 77 -22.190 -6.370 -9.370 1.00 0.00 C ATOM 1188 CE LYS A 77 -23.543 -5.723 -9.054 1.00 0.00 C ATOM 1189 NZ LYS A 77 -23.522 -5.022 -7.743 1.00 0.00 N ATOM 0 H LYS A 77 -19.073 -9.210 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.858 -9.128 -12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -20.624 -8.417 -10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.127 -6.977 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.504 -6.355 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.037 -7.828 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.930 -7.087 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.408 -5.611 -9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.801 -5.015 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.320 -6.488 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.453 -4.596 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.300 -5.703 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.798 -4.276 -7.760 1.00 0.00 H new ATOM 1203 N GLY A 78 -19.935 -7.212 -14.214 1.00 0.00 N ATOM 1204 CA GLY A 78 -19.902 -6.450 -15.471 1.00 0.00 C ATOM 1205 C GLY A 78 -20.476 -7.235 -16.658 1.00 0.00 C ATOM 1206 O GLY A 78 -21.284 -6.705 -17.421 1.00 0.00 O ATOM 0 H GLY A 78 -19.008 -7.420 -13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -20.467 -5.526 -15.345 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -18.873 -6.167 -15.692 1.00 0.00 H new ATOM 1210 N HIS A 79 -20.150 -8.527 -16.772 1.00 0.00 N ATOM 1211 CA HIS A 79 -20.727 -9.407 -17.795 1.00 0.00 C ATOM 1212 C HIS A 79 -22.219 -9.679 -17.538 1.00 0.00 C ATOM 1213 O HIS A 79 -23.011 -9.721 -18.481 1.00 0.00 O ATOM 1214 CB HIS A 79 -19.913 -10.704 -17.867 1.00 0.00 C ATOM 1215 CG HIS A 79 -20.308 -11.591 -19.024 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -21.346 -12.484 -19.056 1.00 0.00 N flip ATOM 1217 CD2 HIS A 79 -19.697 -11.638 -20.258 1.00 0.00 C flip ATOM 1218 CE1 HIS A 79 -21.366 -13.084 -20.323 1.00 0.00 C flip ATOM 1219 NE2 HIS A 79 -20.349 -12.538 -21.016 1.00 0.00 N flip ATOM 0 H HIS A 79 -19.480 -8.992 -16.159 1.00 0.00 H new ATOM 0 HA HIS A 79 -20.673 -8.906 -18.762 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.855 -10.457 -17.952 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -20.038 -11.256 -16.935 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.842 -11.053 -20.564 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -22.059 -13.835 -20.673 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -20.107 -12.773 -21.979 1.00 0.00 H new ATOM 1227 N LEU A 80 -22.641 -9.774 -16.271 1.00 0.00 N ATOM 1228 CA LEU A 80 -24.060 -9.835 -15.906 1.00 0.00 C ATOM 1229 C LEU A 80 -24.815 -8.551 -16.304 1.00 0.00 C ATOM 1230 O LEU A 80 -25.922 -8.634 -16.836 1.00 0.00 O ATOM 1231 CB LEU A 80 -24.189 -10.142 -14.405 1.00 0.00 C ATOM 1232 CG LEU A 80 -25.646 -10.207 -13.910 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -26.432 -11.330 -14.584 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -25.662 -10.445 -12.407 1.00 0.00 C ATOM 0 H LEU A 80 -22.009 -9.811 -15.472 1.00 0.00 H new ATOM 0 HA LEU A 80 -24.531 -10.642 -16.467 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -23.700 -11.093 -14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -23.656 -9.378 -13.840 1.00 0.00 H new ATOM 0 HG LEU A 80 -26.117 -9.257 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.454 -11.338 -14.204 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -26.447 -11.168 -15.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -25.957 -12.287 -14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.693 -10.491 -12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.160 -11.386 -12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -25.144 -9.629 -11.904 1.00 0.00 H new ATOM 1246 N LYS A 81 -24.219 -7.366 -16.126 1.00 0.00 N ATOM 1247 CA LYS A 81 -24.804 -6.098 -16.595 1.00 0.00 C ATOM 1248 C LYS A 81 -24.942 -6.077 -18.122 1.00 0.00 C ATOM 1249 O LYS A 81 -25.997 -5.696 -18.621 1.00 0.00 O ATOM 1250 CB LYS A 81 -23.981 -4.918 -16.045 1.00 0.00 C ATOM 1251 CG LYS A 81 -24.573 -3.524 -16.324 1.00 0.00 C ATOM 1252 CD LYS A 81 -26.013 -3.346 -15.805 1.00 0.00 C ATOM 1253 CE LYS A 81 -26.392 -1.873 -15.588 1.00 0.00 C ATOM 1254 NZ LYS A 81 -26.381 -1.076 -16.843 1.00 0.00 N ATOM 0 H LYS A 81 -23.321 -7.256 -15.655 1.00 0.00 H new ATOM 0 HA LYS A 81 -25.819 -6.000 -16.209 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -23.873 -5.041 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -22.979 -4.963 -16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -23.935 -2.770 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -24.559 -3.342 -17.399 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -26.708 -3.794 -16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -26.125 -3.887 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -27.385 -1.822 -15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -25.698 -1.427 -14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -26.425 -0.063 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -25.507 -1.272 -17.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -27.203 -1.334 -17.425 1.00 0.00 H new ATOM 1268 N VAL A 82 -23.950 -6.580 -18.862 1.00 0.00 N ATOM 1269 CA VAL A 82 -24.035 -6.758 -20.329 1.00 0.00 C ATOM 1270 C VAL A 82 -25.155 -7.735 -20.722 1.00 0.00 C ATOM 1271 O VAL A 82 -25.918 -7.432 -21.638 1.00 0.00 O ATOM 1272 CB VAL A 82 -22.666 -7.173 -20.912 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -22.736 -7.565 -22.393 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -21.665 -6.015 -20.802 1.00 0.00 C ATOM 0 H VAL A 82 -23.059 -6.879 -18.467 1.00 0.00 H new ATOM 0 HA VAL A 82 -24.299 -5.796 -20.768 1.00 0.00 H new ATOM 0 HB VAL A 82 -22.351 -8.039 -20.329 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -21.742 -7.846 -22.742 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -23.415 -8.409 -22.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -23.100 -6.719 -22.976 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -20.705 -6.323 -21.217 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -22.041 -5.155 -21.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -21.537 -5.743 -19.754 1.00 0.00 H new ATOM 1284 N HIS A 83 -25.334 -8.851 -20.005 1.00 0.00 N ATOM 1285 CA HIS A 83 -26.485 -9.750 -20.187 1.00 0.00 C ATOM 1286 C HIS A 83 -27.822 -9.013 -19.982 1.00 0.00 C ATOM 1287 O HIS A 83 -28.732 -9.154 -20.800 1.00 0.00 O ATOM 1288 CB HIS A 83 -26.350 -10.969 -19.252 1.00 0.00 C ATOM 1289 CG HIS A 83 -27.620 -11.772 -19.079 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -28.014 -12.851 -19.833 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -28.591 -11.570 -18.133 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -29.191 -13.290 -19.365 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -29.607 -12.531 -18.320 1.00 0.00 N ATOM 0 H HIS A 83 -24.685 -9.158 -19.281 1.00 0.00 H new ATOM 0 HA HIS A 83 -26.487 -10.107 -21.217 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.571 -11.625 -19.641 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -26.017 -10.625 -18.273 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -27.498 -13.251 -20.617 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -28.580 -10.804 -17.372 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -29.734 -14.133 -19.765 1.00 0.00 H new ATOM 1301 N ILE A 84 -27.944 -8.182 -18.941 1.00 0.00 N ATOM 1302 CA ILE A 84 -29.163 -7.398 -18.677 1.00 0.00 C ATOM 1303 C ILE A 84 -29.433 -6.390 -19.807 1.00 0.00 C ATOM 1304 O ILE A 84 -30.554 -6.334 -20.314 1.00 0.00 O ATOM 1305 CB ILE A 84 -29.107 -6.760 -17.268 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -29.141 -7.864 -16.180 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -30.281 -5.788 -17.053 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -28.776 -7.376 -14.772 1.00 0.00 C ATOM 0 H ILE A 84 -27.203 -8.032 -18.256 1.00 0.00 H new ATOM 0 HA ILE A 84 -30.023 -8.067 -18.673 1.00 0.00 H new ATOM 0 HB ILE A 84 -28.175 -6.200 -17.190 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -30.140 -8.300 -16.153 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -28.453 -8.660 -16.465 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -30.216 -5.355 -16.055 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -30.236 -4.993 -17.797 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -31.223 -6.327 -17.154 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -28.825 -8.211 -14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -27.765 -6.967 -14.779 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -29.478 -6.602 -14.462 1.00 0.00 H new ATOM 1320 N GLU A 85 -28.420 -5.652 -20.271 1.00 0.00 N ATOM 1321 CA GLU A 85 -28.564 -4.698 -21.382 1.00 0.00 C ATOM 1322 C GLU A 85 -28.917 -5.367 -22.725 1.00 0.00 C ATOM 1323 O GLU A 85 -29.655 -4.781 -23.520 1.00 0.00 O ATOM 1324 CB GLU A 85 -27.271 -3.883 -21.566 1.00 0.00 C ATOM 1325 CG GLU A 85 -26.913 -2.933 -20.413 1.00 0.00 C ATOM 1326 CD GLU A 85 -27.975 -1.862 -20.115 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -28.610 -1.325 -21.054 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -28.148 -1.530 -18.917 1.00 0.00 O ATOM 0 H GLU A 85 -27.475 -5.697 -19.889 1.00 0.00 H new ATOM 0 HA GLU A 85 -29.395 -4.049 -21.105 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -26.443 -4.577 -21.711 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -27.360 -3.297 -22.481 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -26.747 -3.523 -19.511 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -25.971 -2.437 -20.647 1.00 0.00 H new ATOM 1335 N ARG A 86 -28.413 -6.584 -22.991 1.00 0.00 N ATOM 1336 CA ARG A 86 -28.632 -7.310 -24.260 1.00 0.00 C ATOM 1337 C ARG A 86 -29.926 -8.129 -24.296 1.00 0.00 C ATOM 1338 O ARG A 86 -30.562 -8.204 -25.350 1.00 0.00 O ATOM 1339 CB ARG A 86 -27.421 -8.205 -24.564 1.00 0.00 C ATOM 1340 CG ARG A 86 -26.191 -7.385 -24.982 1.00 0.00 C ATOM 1341 CD ARG A 86 -25.020 -8.318 -25.303 1.00 0.00 C ATOM 1342 NE ARG A 86 -23.827 -7.560 -25.729 1.00 0.00 N ATOM 1343 CZ ARG A 86 -22.628 -8.056 -25.984 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -22.370 -9.331 -25.891 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -21.653 -7.271 -26.342 1.00 0.00 N ATOM 0 H ARG A 86 -27.836 -7.099 -22.326 1.00 0.00 H new ATOM 0 HA ARG A 86 -28.743 -6.550 -25.033 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -27.179 -8.799 -23.683 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -27.678 -8.905 -25.359 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -26.430 -6.776 -25.854 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -25.912 -6.700 -24.181 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.778 -8.916 -24.424 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -25.312 -9.013 -26.091 1.00 0.00 H new ATOM 0 HE ARG A 86 -23.939 -6.552 -25.838 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -23.105 -9.981 -25.614 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.433 -9.678 -26.095 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.812 -6.267 -26.427 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.731 -7.660 -26.537 1.00 0.00 H new ATOM 1359 N VAL A 87 -30.312 -8.751 -23.178 1.00 0.00 N ATOM 1360 CA VAL A 87 -31.423 -9.725 -23.112 1.00 0.00 C ATOM 1361 C VAL A 87 -32.706 -9.117 -22.530 1.00 0.00 C ATOM 1362 O VAL A 87 -33.800 -9.464 -22.980 1.00 0.00 O ATOM 1363 CB VAL A 87 -30.994 -10.990 -22.331 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -32.073 -12.081 -22.343 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -29.725 -11.617 -22.932 1.00 0.00 C ATOM 0 H VAL A 87 -29.860 -8.595 -22.277 1.00 0.00 H new ATOM 0 HA VAL A 87 -31.658 -10.015 -24.136 1.00 0.00 H new ATOM 0 HB VAL A 87 -30.819 -10.650 -21.310 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -31.722 -12.946 -21.781 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -32.984 -11.697 -21.885 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -32.281 -12.376 -23.372 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -29.451 -12.503 -22.360 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -29.914 -11.898 -23.968 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -28.910 -10.895 -22.895 1.00 0.00 H new ATOM 1375 N HIS A 88 -32.594 -8.197 -21.565 1.00 0.00 N ATOM 1376 CA HIS A 88 -33.733 -7.687 -20.782 1.00 0.00 C ATOM 1377 C HIS A 88 -34.015 -6.182 -20.965 1.00 0.00 C ATOM 1378 O HIS A 88 -35.022 -5.682 -20.454 1.00 0.00 O ATOM 1379 CB HIS A 88 -33.526 -8.064 -19.307 1.00 0.00 C ATOM 1380 CG HIS A 88 -33.325 -9.544 -19.092 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -34.237 -10.543 -19.344 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -32.207 -10.143 -18.584 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -33.695 -11.716 -18.983 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -32.445 -11.532 -18.498 1.00 0.00 N ATOM 0 H HIS A 88 -31.702 -7.779 -21.300 1.00 0.00 H new ATOM 0 HA HIS A 88 -34.634 -8.165 -21.167 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -32.660 -7.527 -18.920 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -34.390 -7.734 -18.730 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -31.296 -9.639 -18.297 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -34.187 -12.673 -19.068 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -31.809 -12.247 -18.145 1.00 0.00 H new