USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=22 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 74 CYS SG : rot -126:sc= 0.394 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0194 X(o=0.37,f=0.39) USER MOD Set 2.1: A 67 CYS SG : rot 141:sc= 2.02 USER MOD Set 2.2: A 70 CYS SG : rot -43:sc= 1.44 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.683 K(o=4.1,f=-2.1) USER MOD Set 2.4: A 88 HIS : no HD1:sc= -0.0185 K(o=4.1,f=-2.3) USER MOD Set 3.1: A 47 SER OG : rot 70:sc= 0.513 USER MOD Set 3.2: A 52 ASN : amide:sc= 0.569 K(o=1.1,f=0.29) USER MOD Set 4.1: A 40 CYS SG : rot 110:sc= 2.08 USER MOD Set 4.2: A 43 CYS SG : rot -43:sc= 1.13 USER MOD Set 4.3: A 56 HIS : no HE2:sc= 0.231 K(o=3.9,f=-1.7) USER MOD Set 4.4: A 60 HIS : no HD1:sc= 0.415 K(o=3.9,f=-1.4) USER MOD Set 5.1: A 12 CYS SG : rot 151:sc= 2.08 USER MOD Set 5.2: A 15 CYS SG : rot -42:sc= 2.2 USER MOD Set 5.3: A 17 LYS NZ :NH3+ 166:sc= 1.35 (180deg=-0.243) USER MOD Set 5.4: A 28 HIS : no HE2:sc= 0.0811 K(o=5.7,f=2.2) 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= -0.0669 K(o=-0.067,f=-0.83) 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= -0.0403 X(o=-0.04,f=-0.037) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) 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= 0.688 K(o=0.69,f=0) 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= 1 K(o=1,f=-4.2!) 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= 0.0012 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 21.383 2.662 -29.091 1.00 0.00 N ATOM 110 CA PHE A 10 21.527 2.192 -27.709 1.00 0.00 C ATOM 111 C PHE A 10 21.652 0.661 -27.668 1.00 0.00 C ATOM 112 O PHE A 10 20.903 -0.035 -28.351 1.00 0.00 O ATOM 113 CB PHE A 10 20.336 2.715 -26.890 1.00 0.00 C ATOM 114 CG PHE A 10 20.265 4.232 -26.815 1.00 0.00 C ATOM 115 CD1 PHE A 10 19.626 4.967 -27.835 1.00 0.00 C ATOM 116 CD2 PHE A 10 20.871 4.913 -25.744 1.00 0.00 C ATOM 117 CE1 PHE A 10 19.587 6.372 -27.779 1.00 0.00 C ATOM 118 CE2 PHE A 10 20.833 6.319 -25.687 1.00 0.00 C ATOM 119 CZ PHE A 10 20.188 7.047 -26.701 1.00 0.00 C ATOM 0 HA PHE A 10 22.444 2.581 -27.266 1.00 0.00 H new ATOM 0 HB2 PHE A 10 19.412 2.338 -27.328 1.00 0.00 H new ATOM 0 HB3 PHE A 10 20.397 2.312 -25.879 1.00 0.00 H new ATOM 0 HD1 PHE A 10 19.165 4.449 -28.663 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.367 4.356 -24.963 1.00 0.00 H new ATOM 0 HE1 PHE A 10 19.097 6.931 -28.562 1.00 0.00 H new ATOM 0 HE2 PHE A 10 21.300 6.838 -24.863 1.00 0.00 H new ATOM 0 HZ PHE A 10 20.154 8.125 -26.653 1.00 0.00 H new ATOM 129 N THR A 11 22.580 0.122 -26.872 1.00 0.00 N ATOM 130 CA THR A 11 22.952 -1.306 -26.908 1.00 0.00 C ATOM 131 C THR A 11 23.030 -1.915 -25.503 1.00 0.00 C ATOM 132 O THR A 11 23.624 -1.324 -24.596 1.00 0.00 O ATOM 133 CB THR A 11 24.293 -1.481 -27.646 1.00 0.00 C ATOM 134 OG1 THR A 11 24.246 -0.851 -28.913 1.00 0.00 O ATOM 135 CG2 THR A 11 24.645 -2.941 -27.905 1.00 0.00 C ATOM 0 H THR A 11 23.100 0.661 -26.180 1.00 0.00 H new ATOM 0 HA THR A 11 22.170 -1.840 -27.448 1.00 0.00 H new ATOM 0 HB THR A 11 25.043 -1.036 -26.993 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.105 -0.969 -29.369 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.600 -2.998 -28.427 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.719 -3.471 -26.956 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.869 -3.399 -28.517 1.00 0.00 H new ATOM 143 N CYS A 12 22.457 -3.111 -25.329 1.00 0.00 N ATOM 144 CA CYS A 12 22.494 -3.890 -24.092 1.00 0.00 C ATOM 145 C CYS A 12 23.886 -4.502 -23.851 1.00 0.00 C ATOM 146 O CYS A 12 24.461 -5.153 -24.728 1.00 0.00 O ATOM 147 CB CYS A 12 21.384 -4.945 -24.170 1.00 0.00 C ATOM 148 SG CYS A 12 21.381 -5.971 -22.673 1.00 0.00 S ATOM 0 H CYS A 12 21.937 -3.577 -26.073 1.00 0.00 H new ATOM 0 HA CYS A 12 22.314 -3.247 -23.231 1.00 0.00 H new ATOM 0 HB2 CYS A 12 20.417 -4.456 -24.286 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.531 -5.573 -25.049 1.00 0.00 H new ATOM 0 HG CYS A 12 20.176 -6.404 -22.446 1.00 0.00 H new ATOM 153 N GLU A 13 24.421 -4.323 -22.642 1.00 0.00 N ATOM 154 CA GLU A 13 25.713 -4.884 -22.226 1.00 0.00 C ATOM 155 C GLU A 13 25.625 -6.350 -21.750 1.00 0.00 C ATOM 156 O GLU A 13 26.661 -6.990 -21.543 1.00 0.00 O ATOM 157 CB GLU A 13 26.373 -3.970 -21.177 1.00 0.00 C ATOM 158 CG GLU A 13 25.640 -3.927 -19.829 1.00 0.00 C ATOM 159 CD GLU A 13 26.344 -2.962 -18.857 1.00 0.00 C ATOM 160 OE1 GLU A 13 27.341 -3.363 -18.206 1.00 0.00 O ATOM 161 OE2 GLU A 13 25.915 -1.788 -18.740 1.00 0.00 O ATOM 0 H GLU A 13 23.964 -3.777 -21.912 1.00 0.00 H new ATOM 0 HA GLU A 13 26.349 -4.916 -23.110 1.00 0.00 H new ATOM 0 HB2 GLU A 13 27.396 -4.307 -21.011 1.00 0.00 H new ATOM 0 HB3 GLU A 13 26.431 -2.958 -21.578 1.00 0.00 H new ATOM 0 HG2 GLU A 13 24.608 -3.610 -19.980 1.00 0.00 H new ATOM 0 HG3 GLU A 13 25.606 -4.927 -19.396 1.00 0.00 H new ATOM 168 N TYR A 14 24.411 -6.890 -21.589 1.00 0.00 N ATOM 169 CA TYR A 14 24.165 -8.234 -21.045 1.00 0.00 C ATOM 170 C TYR A 14 23.794 -9.278 -22.116 1.00 0.00 C ATOM 171 O TYR A 14 24.131 -10.454 -21.949 1.00 0.00 O ATOM 172 CB TYR A 14 23.065 -8.153 -19.980 1.00 0.00 C ATOM 173 CG TYR A 14 23.374 -7.269 -18.785 1.00 0.00 C ATOM 174 CD1 TYR A 14 24.132 -7.779 -17.713 1.00 0.00 C ATOM 175 CD2 TYR A 14 22.878 -5.950 -18.732 1.00 0.00 C ATOM 176 CE1 TYR A 14 24.397 -6.972 -16.589 1.00 0.00 C ATOM 177 CE2 TYR A 14 23.143 -5.142 -17.609 1.00 0.00 C ATOM 178 CZ TYR A 14 23.903 -5.652 -16.534 1.00 0.00 C ATOM 179 OH TYR A 14 24.161 -4.880 -15.442 1.00 0.00 O ATOM 0 H TYR A 14 23.554 -6.396 -21.838 1.00 0.00 H new ATOM 0 HA TYR A 14 25.102 -8.577 -20.606 1.00 0.00 H new ATOM 0 HB2 TYR A 14 22.153 -7.789 -20.452 1.00 0.00 H new ATOM 0 HB3 TYR A 14 22.857 -9.161 -19.620 1.00 0.00 H new ATOM 0 HD1 TYR A 14 24.510 -8.790 -17.753 1.00 0.00 H new ATOM 0 HD2 TYR A 14 22.295 -5.559 -19.553 1.00 0.00 H new ATOM 0 HE1 TYR A 14 24.979 -7.365 -15.768 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.764 -4.131 -17.570 1.00 0.00 H new ATOM 0 HH TYR A 14 23.752 -3.998 -15.561 1.00 0.00 H new ATOM 189 N CYS A 15 23.124 -8.870 -23.205 1.00 0.00 N ATOM 190 CA CYS A 15 22.707 -9.751 -24.310 1.00 0.00 C ATOM 191 C CYS A 15 22.989 -9.206 -25.735 1.00 0.00 C ATOM 192 O CYS A 15 22.584 -9.818 -26.727 1.00 0.00 O ATOM 193 CB CYS A 15 21.256 -10.210 -24.090 1.00 0.00 C ATOM 194 SG CYS A 15 20.065 -8.867 -24.271 1.00 0.00 S ATOM 0 H CYS A 15 22.851 -7.898 -23.346 1.00 0.00 H new ATOM 0 HA CYS A 15 23.353 -10.628 -24.276 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.017 -11.000 -24.802 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.163 -10.641 -23.093 1.00 0.00 H new ATOM 0 HG CYS A 15 20.525 -7.798 -23.692 1.00 0.00 H new ATOM 199 N ASN A 16 23.719 -8.088 -25.846 1.00 0.00 N ATOM 200 CA ASN A 16 24.176 -7.463 -27.100 1.00 0.00 C ATOM 201 C ASN A 16 23.056 -7.062 -28.095 1.00 0.00 C ATOM 202 O ASN A 16 23.308 -6.872 -29.289 1.00 0.00 O ATOM 203 CB ASN A 16 25.308 -8.318 -27.710 1.00 0.00 C ATOM 204 CG ASN A 16 26.178 -7.571 -28.714 1.00 0.00 C ATOM 205 OD1 ASN A 16 26.359 -6.362 -28.666 1.00 0.00 O ATOM 206 ND2 ASN A 16 26.791 -8.279 -29.640 1.00 0.00 N ATOM 0 H ASN A 16 24.023 -7.567 -25.024 1.00 0.00 H new ATOM 0 HA ASN A 16 24.583 -6.484 -26.847 1.00 0.00 H new ATOM 0 HB2 ASN A 16 25.940 -8.693 -26.905 1.00 0.00 H new ATOM 0 HB3 ASN A 16 24.869 -9.187 -28.201 1.00 0.00 H new ATOM 0 HD21 ASN A 16 27.409 -7.819 -30.308 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.647 -9.288 -29.689 1.00 0.00 H new ATOM 213 N LYS A 17 21.812 -6.916 -27.618 1.00 0.00 N ATOM 214 CA LYS A 17 20.677 -6.379 -28.388 1.00 0.00 C ATOM 215 C LYS A 17 20.812 -4.876 -28.624 1.00 0.00 C ATOM 216 O LYS A 17 21.383 -4.157 -27.803 1.00 0.00 O ATOM 217 CB LYS A 17 19.358 -6.677 -27.667 1.00 0.00 C ATOM 218 CG LYS A 17 18.962 -8.151 -27.770 1.00 0.00 C ATOM 219 CD LYS A 17 17.687 -8.372 -26.943 1.00 0.00 C ATOM 220 CE LYS A 17 17.298 -9.842 -26.778 1.00 0.00 C ATOM 221 NZ LYS A 17 18.389 -10.647 -26.161 1.00 0.00 N ATOM 0 H LYS A 17 21.559 -7.173 -26.664 1.00 0.00 H new ATOM 0 HA LYS A 17 20.679 -6.872 -29.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.450 -6.400 -26.617 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.566 -6.060 -28.092 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.791 -8.425 -28.811 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.767 -8.786 -27.401 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.826 -7.931 -25.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.862 -7.840 -27.417 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.403 -9.912 -26.160 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.046 -10.261 -27.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.011 -11.565 -25.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.144 -10.801 -26.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.775 -10.137 -25.341 1.00 0.00 H new ATOM 235 N VAL A 18 20.242 -4.411 -29.733 1.00 0.00 N ATOM 236 CA VAL A 18 20.314 -3.017 -30.209 1.00 0.00 C ATOM 237 C VAL A 18 18.915 -2.391 -30.274 1.00 0.00 C ATOM 238 O VAL A 18 17.960 -3.023 -30.729 1.00 0.00 O ATOM 239 CB VAL A 18 21.039 -2.940 -31.569 1.00 0.00 C ATOM 240 CG1 VAL A 18 21.210 -1.491 -32.034 1.00 0.00 C ATOM 241 CG2 VAL A 18 22.444 -3.556 -31.503 1.00 0.00 C ATOM 0 H VAL A 18 19.696 -5.010 -30.353 1.00 0.00 H new ATOM 0 HA VAL A 18 20.898 -2.437 -29.494 1.00 0.00 H new ATOM 0 HB VAL A 18 20.413 -3.497 -32.267 1.00 0.00 H new ATOM 0 HG11 VAL A 18 21.724 -1.476 -32.995 1.00 0.00 H new ATOM 0 HG12 VAL A 18 20.230 -1.025 -32.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.797 -0.940 -31.299 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.920 -3.482 -32.481 1.00 0.00 H new ATOM 0 HG22 VAL A 18 23.042 -3.020 -30.766 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.368 -4.605 -31.215 1.00 0.00 H new ATOM 251 N PHE A 19 18.806 -1.140 -29.822 1.00 0.00 N ATOM 252 CA PHE A 19 17.565 -0.382 -29.634 1.00 0.00 C ATOM 253 C PHE A 19 17.691 1.049 -30.191 1.00 0.00 C ATOM 254 O PHE A 19 18.766 1.658 -30.164 1.00 0.00 O ATOM 255 CB PHE A 19 17.206 -0.362 -28.137 1.00 0.00 C ATOM 256 CG PHE A 19 17.048 -1.739 -27.514 1.00 0.00 C ATOM 257 CD1 PHE A 19 15.826 -2.432 -27.621 1.00 0.00 C ATOM 258 CD2 PHE A 19 18.139 -2.354 -26.872 1.00 0.00 C ATOM 259 CE1 PHE A 19 15.708 -3.742 -27.120 1.00 0.00 C ATOM 260 CE2 PHE A 19 18.021 -3.663 -26.371 1.00 0.00 C ATOM 261 CZ PHE A 19 16.810 -4.366 -26.509 1.00 0.00 C ATOM 0 H PHE A 19 19.629 -0.596 -29.562 1.00 0.00 H new ATOM 0 HA PHE A 19 16.765 -0.871 -30.190 1.00 0.00 H new ATOM 0 HB2 PHE A 19 17.981 0.182 -27.597 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.277 0.192 -28.005 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.977 -1.956 -28.089 1.00 0.00 H new ATOM 0 HD2 PHE A 19 19.071 -1.819 -26.764 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.769 -4.269 -27.205 1.00 0.00 H new ATOM 0 HE2 PHE A 19 18.862 -4.130 -25.879 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.727 -5.380 -26.147 1.00 0.00 H new ATOM 271 N LYS A 20 16.573 1.603 -30.682 1.00 0.00 N ATOM 272 CA LYS A 20 16.522 2.927 -31.335 1.00 0.00 C ATOM 273 C LYS A 20 16.564 4.111 -30.359 1.00 0.00 C ATOM 274 O LYS A 20 16.952 5.208 -30.760 1.00 0.00 O ATOM 275 CB LYS A 20 15.273 3.017 -32.224 1.00 0.00 C ATOM 276 CG LYS A 20 15.386 2.106 -33.458 1.00 0.00 C ATOM 277 CD LYS A 20 14.141 2.160 -34.352 1.00 0.00 C ATOM 278 CE LYS A 20 13.928 3.542 -34.986 1.00 0.00 C ATOM 279 NZ LYS A 20 12.765 3.546 -35.913 1.00 0.00 N ATOM 0 H LYS A 20 15.665 1.141 -30.638 1.00 0.00 H new ATOM 0 HA LYS A 20 17.428 3.007 -31.936 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.393 2.737 -31.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.129 4.049 -32.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.259 2.398 -34.041 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.549 1.079 -33.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.232 1.413 -35.140 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.263 1.896 -33.762 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.771 4.282 -34.202 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.827 3.837 -35.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.651 4.495 -36.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.926 2.857 -36.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.903 3.289 -35.390 1.00 0.00 H new ATOM 293 N PHE A 21 16.172 3.902 -29.099 1.00 0.00 N ATOM 294 CA PHE A 21 16.000 4.962 -28.096 1.00 0.00 C ATOM 295 C PHE A 21 16.490 4.543 -26.703 1.00 0.00 C ATOM 296 O PHE A 21 16.477 3.359 -26.350 1.00 0.00 O ATOM 297 CB PHE A 21 14.517 5.368 -28.023 1.00 0.00 C ATOM 298 CG PHE A 21 13.869 5.711 -29.353 1.00 0.00 C ATOM 299 CD1 PHE A 21 14.182 6.920 -30.003 1.00 0.00 C ATOM 300 CD2 PHE A 21 12.963 4.812 -29.949 1.00 0.00 C ATOM 301 CE1 PHE A 21 13.596 7.225 -31.247 1.00 0.00 C ATOM 302 CE2 PHE A 21 12.379 5.117 -31.193 1.00 0.00 C ATOM 303 CZ PHE A 21 12.697 6.322 -31.841 1.00 0.00 C ATOM 0 H PHE A 21 15.960 2.972 -28.738 1.00 0.00 H new ATOM 0 HA PHE A 21 16.610 5.808 -28.411 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.957 4.553 -27.565 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.426 6.229 -27.361 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.872 7.614 -29.547 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.716 3.886 -29.450 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.837 8.153 -31.745 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.687 4.425 -31.649 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.250 6.555 -32.796 1.00 0.00 H new ATOM 313 N LYS A 22 16.849 5.537 -25.879 1.00 0.00 N ATOM 314 CA LYS A 22 17.272 5.344 -24.481 1.00 0.00 C ATOM 315 C LYS A 22 16.187 4.657 -23.647 1.00 0.00 C ATOM 316 O LYS A 22 16.483 3.711 -22.924 1.00 0.00 O ATOM 317 CB LYS A 22 17.668 6.709 -23.888 1.00 0.00 C ATOM 318 CG LYS A 22 18.313 6.579 -22.498 1.00 0.00 C ATOM 319 CD LYS A 22 18.676 7.938 -21.880 1.00 0.00 C ATOM 320 CE LYS A 22 19.789 8.665 -22.649 1.00 0.00 C ATOM 321 NZ LYS A 22 20.136 9.959 -22.005 1.00 0.00 N ATOM 0 H LYS A 22 16.854 6.515 -26.168 1.00 0.00 H new ATOM 0 HA LYS A 22 18.135 4.679 -24.459 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.364 7.207 -24.563 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.783 7.342 -23.817 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.628 6.054 -21.832 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.213 5.969 -22.576 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.787 8.569 -21.854 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.992 7.789 -20.847 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.675 8.031 -22.696 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.468 8.842 -23.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.890 10.426 -22.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.296 10.572 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.465 9.786 -21.034 1.00 0.00 H new ATOM 335 N HIS A 23 14.929 5.077 -23.794 1.00 0.00 N ATOM 336 CA HIS A 23 13.799 4.501 -23.056 1.00 0.00 C ATOM 337 C HIS A 23 13.518 3.035 -23.437 1.00 0.00 C ATOM 338 O HIS A 23 13.136 2.243 -22.575 1.00 0.00 O ATOM 339 CB HIS A 23 12.558 5.396 -23.213 1.00 0.00 C ATOM 340 CG HIS A 23 12.067 5.592 -24.630 1.00 0.00 C ATOM 341 ND1 HIS A 23 12.233 6.720 -25.402 1.00 0.00 N ATOM 342 CD2 HIS A 23 11.300 4.719 -25.359 1.00 0.00 C ATOM 343 CE1 HIS A 23 11.589 6.531 -26.568 1.00 0.00 C ATOM 344 NE2 HIS A 23 11.006 5.321 -26.588 1.00 0.00 N ATOM 0 H HIS A 23 14.663 5.829 -24.430 1.00 0.00 H new ATOM 0 HA HIS A 23 14.070 4.473 -22.001 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.747 4.969 -22.623 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.782 6.374 -22.787 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.979 3.738 -25.040 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.547 7.250 -27.373 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.457 4.920 -27.349 1.00 0.00 H new ATOM 352 N SER A 24 13.775 2.644 -24.692 1.00 0.00 N ATOM 353 CA SER A 24 13.660 1.251 -25.151 1.00 0.00 C ATOM 354 C SER A 24 14.700 0.350 -24.477 1.00 0.00 C ATOM 355 O SER A 24 14.347 -0.709 -23.955 1.00 0.00 O ATOM 356 CB SER A 24 13.819 1.168 -26.674 1.00 0.00 C ATOM 357 OG SER A 24 12.885 2.001 -27.338 1.00 0.00 O ATOM 0 H SER A 24 14.071 3.290 -25.424 1.00 0.00 H new ATOM 0 HA SER A 24 12.667 0.899 -24.873 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.832 1.461 -26.952 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.685 0.136 -27.000 1.00 0.00 H new ATOM 0 HG SER A 24 13.012 1.928 -28.307 1.00 0.00 H new ATOM 363 N LEU A 25 15.964 0.793 -24.404 1.00 0.00 N ATOM 364 CA LEU A 25 17.007 0.083 -23.657 1.00 0.00 C ATOM 365 C LEU A 25 16.722 0.070 -22.142 1.00 0.00 C ATOM 366 O LEU A 25 16.847 -0.976 -21.513 1.00 0.00 O ATOM 367 CB LEU A 25 18.389 0.679 -23.989 1.00 0.00 C ATOM 368 CG LEU A 25 19.547 0.037 -23.192 1.00 0.00 C ATOM 369 CD1 LEU A 25 19.694 -1.463 -23.453 1.00 0.00 C ATOM 370 CD2 LEU A 25 20.874 0.698 -23.552 1.00 0.00 C ATOM 0 H LEU A 25 16.288 1.647 -24.858 1.00 0.00 H new ATOM 0 HA LEU A 25 17.006 -0.961 -23.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.581 0.557 -25.055 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.371 1.750 -23.789 1.00 0.00 H new ATOM 0 HG LEU A 25 19.300 0.187 -22.141 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.524 -1.855 -22.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.774 -1.974 -23.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.889 -1.631 -24.512 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.678 0.234 -22.982 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.066 0.573 -24.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.827 1.761 -23.314 1.00 0.00 H new ATOM 382 N GLN A 26 16.288 1.187 -21.551 1.00 0.00 N ATOM 383 CA GLN A 26 15.952 1.267 -20.120 1.00 0.00 C ATOM 384 C GLN A 26 14.835 0.290 -19.718 1.00 0.00 C ATOM 385 O GLN A 26 14.941 -0.374 -18.686 1.00 0.00 O ATOM 386 CB GLN A 26 15.541 2.703 -19.763 1.00 0.00 C ATOM 387 CG GLN A 26 16.749 3.646 -19.631 1.00 0.00 C ATOM 388 CD GLN A 26 16.357 5.106 -19.387 1.00 0.00 C ATOM 389 OE1 GLN A 26 15.245 5.553 -19.641 1.00 0.00 O ATOM 390 NE2 GLN A 26 17.265 5.921 -18.891 1.00 0.00 N ATOM 0 H GLN A 26 16.158 2.067 -22.051 1.00 0.00 H new ATOM 0 HA GLN A 26 16.844 0.981 -19.563 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.867 3.086 -20.530 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.985 2.696 -18.825 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.379 3.305 -18.810 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.349 3.585 -20.539 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.198 5.572 -18.671 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.035 6.901 -18.726 1.00 0.00 H new ATOM 399 N ALA A 27 13.795 0.149 -20.546 1.00 0.00 N ATOM 400 CA ALA A 27 12.728 -0.825 -20.323 1.00 0.00 C ATOM 401 C ALA A 27 13.193 -2.276 -20.556 1.00 0.00 C ATOM 402 O ALA A 27 12.770 -3.177 -19.830 1.00 0.00 O ATOM 403 CB ALA A 27 11.552 -0.458 -21.226 1.00 0.00 C ATOM 0 H ALA A 27 13.671 0.709 -21.390 1.00 0.00 H new ATOM 0 HA ALA A 27 12.422 -0.784 -19.278 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.742 -1.172 -21.077 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.202 0.544 -20.979 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.871 -0.484 -22.268 1.00 0.00 H new ATOM 409 N HIS A 28 14.100 -2.506 -21.512 1.00 0.00 N ATOM 410 CA HIS A 28 14.706 -3.819 -21.751 1.00 0.00 C ATOM 411 C HIS A 28 15.594 -4.271 -20.577 1.00 0.00 C ATOM 412 O HIS A 28 15.513 -5.424 -20.149 1.00 0.00 O ATOM 413 CB HIS A 28 15.504 -3.787 -23.064 1.00 0.00 C ATOM 414 CG HIS A 28 16.337 -5.027 -23.247 1.00 0.00 C ATOM 415 ND1 HIS A 28 15.858 -6.283 -23.531 1.00 0.00 N ATOM 416 CD2 HIS A 28 17.678 -5.146 -23.007 1.00 0.00 C ATOM 417 CE1 HIS A 28 16.879 -7.146 -23.462 1.00 0.00 C ATOM 418 NE2 HIS A 28 18.030 -6.505 -23.138 1.00 0.00 N ATOM 0 H HIS A 28 14.436 -1.781 -22.146 1.00 0.00 H new ATOM 0 HA HIS A 28 13.903 -4.552 -21.835 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.817 -3.685 -23.904 1.00 0.00 H new ATOM 0 HB3 HIS A 28 16.152 -2.910 -23.074 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.891 -6.517 -23.756 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.351 -4.338 -22.760 1.00 0.00 H new ATOM 0 HE1 HIS A 28 16.798 -8.208 -23.640 1.00 0.00 H new ATOM 426 N LEU A 29 16.409 -3.369 -20.017 1.00 0.00 N ATOM 427 CA LEU A 29 17.351 -3.663 -18.927 1.00 0.00 C ATOM 428 C LEU A 29 16.678 -4.241 -17.668 1.00 0.00 C ATOM 429 O LEU A 29 17.346 -4.946 -16.910 1.00 0.00 O ATOM 430 CB LEU A 29 18.156 -2.393 -18.590 1.00 0.00 C ATOM 431 CG LEU A 29 19.292 -2.077 -19.585 1.00 0.00 C ATOM 432 CD1 LEU A 29 19.829 -0.668 -19.330 1.00 0.00 C ATOM 433 CD2 LEU A 29 20.465 -3.051 -19.452 1.00 0.00 C ATOM 0 H LEU A 29 16.434 -2.394 -20.314 1.00 0.00 H new ATOM 0 HA LEU A 29 18.021 -4.446 -19.283 1.00 0.00 H new ATOM 0 HB2 LEU A 29 17.474 -1.544 -18.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.582 -2.501 -17.593 1.00 0.00 H new ATOM 0 HG LEU A 29 18.868 -2.166 -20.585 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.631 -0.451 -20.036 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.025 0.057 -19.460 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.214 -0.604 -18.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.240 -2.788 -20.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 20.873 -2.993 -18.443 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.119 -4.066 -19.646 1.00 0.00 H new ATOM 445 N ARG A 30 15.364 -4.041 -17.485 1.00 0.00 N ATOM 446 CA ARG A 30 14.580 -4.607 -16.370 1.00 0.00 C ATOM 447 C ARG A 30 14.605 -6.140 -16.280 1.00 0.00 C ATOM 448 O ARG A 30 14.341 -6.676 -15.203 1.00 0.00 O ATOM 449 CB ARG A 30 13.127 -4.109 -16.440 1.00 0.00 C ATOM 450 CG ARG A 30 13.018 -2.584 -16.258 1.00 0.00 C ATOM 451 CD ARG A 30 11.562 -2.117 -16.157 1.00 0.00 C ATOM 452 NE ARG A 30 10.914 -2.635 -14.939 1.00 0.00 N ATOM 453 CZ ARG A 30 9.716 -2.357 -14.473 1.00 0.00 C ATOM 454 NH1 ARG A 30 8.898 -1.528 -15.060 1.00 0.00 N ATOM 455 NH2 ARG A 30 9.337 -2.940 -13.377 1.00 0.00 N ATOM 0 H ARG A 30 14.803 -3.471 -18.118 1.00 0.00 H new ATOM 0 HA ARG A 30 15.066 -4.251 -15.462 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.696 -4.389 -17.401 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.538 -4.607 -15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.556 -2.288 -15.358 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.501 -2.084 -17.097 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.527 -1.028 -16.154 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.009 -2.451 -17.035 1.00 0.00 H new ATOM 0 HE ARG A 30 11.465 -3.293 -14.387 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.177 -1.061 -15.922 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.979 -1.347 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.962 -3.592 -12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.414 -2.746 -12.989 1.00 0.00 H new ATOM 469 N ILE A 31 14.942 -6.859 -17.361 1.00 0.00 N ATOM 470 CA ILE A 31 15.117 -8.322 -17.327 1.00 0.00 C ATOM 471 C ILE A 31 16.476 -8.758 -16.746 1.00 0.00 C ATOM 472 O ILE A 31 16.609 -9.879 -16.253 1.00 0.00 O ATOM 473 CB ILE A 31 14.865 -8.961 -18.707 1.00 0.00 C ATOM 474 CG1 ILE A 31 16.044 -8.821 -19.697 1.00 0.00 C ATOM 475 CG2 ILE A 31 13.523 -8.482 -19.295 1.00 0.00 C ATOM 476 CD1 ILE A 31 15.793 -9.524 -21.034 1.00 0.00 C ATOM 0 H ILE A 31 15.101 -6.447 -18.280 1.00 0.00 H new ATOM 0 HA ILE A 31 14.357 -8.696 -16.641 1.00 0.00 H new ATOM 0 HB ILE A 31 14.792 -10.036 -18.540 1.00 0.00 H new ATOM 0 HG12 ILE A 31 16.234 -7.763 -19.880 1.00 0.00 H new ATOM 0 HG13 ILE A 31 16.944 -9.232 -19.241 1.00 0.00 H new ATOM 0 HG21 ILE A 31 13.366 -8.946 -20.269 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.711 -8.763 -18.624 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.542 -7.398 -19.408 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.657 -9.388 -21.684 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.632 -10.588 -20.861 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.910 -9.096 -21.510 1.00 0.00 H new ATOM 570 N PRO A 37 10.189 -10.689 -8.184 1.00 0.00 N ATOM 571 CA PRO A 37 9.929 -11.779 -9.131 1.00 0.00 C ATOM 572 C PRO A 37 8.481 -12.283 -9.158 1.00 0.00 C ATOM 573 O PRO A 37 7.969 -12.625 -10.227 1.00 0.00 O ATOM 574 CB PRO A 37 10.874 -12.908 -8.709 1.00 0.00 C ATOM 575 CG PRO A 37 11.077 -12.683 -7.213 1.00 0.00 C ATOM 576 CD PRO A 37 11.039 -11.162 -7.099 1.00 0.00 C ATOM 0 HA PRO A 37 10.097 -11.417 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.440 -13.887 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.818 -12.861 -9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.292 -13.154 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.026 -13.092 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.641 -10.855 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.041 -10.741 -7.179 1.00 0.00 H new ATOM 584 N TYR A 38 7.811 -12.352 -8.003 1.00 0.00 N ATOM 585 CA TYR A 38 6.485 -12.969 -7.871 1.00 0.00 C ATOM 586 C TYR A 38 5.374 -11.967 -8.211 1.00 0.00 C ATOM 587 O TYR A 38 4.743 -11.373 -7.334 1.00 0.00 O ATOM 588 CB TYR A 38 6.331 -13.642 -6.499 1.00 0.00 C ATOM 589 CG TYR A 38 7.318 -14.773 -6.282 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.200 -15.963 -7.026 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.380 -14.616 -5.375 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.149 -16.991 -6.865 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.327 -15.644 -5.201 1.00 0.00 C ATOM 594 CZ TYR A 38 9.214 -16.837 -5.952 1.00 0.00 C ATOM 595 OH TYR A 38 10.122 -17.838 -5.797 1.00 0.00 O ATOM 0 H TYR A 38 8.175 -11.979 -7.126 1.00 0.00 H new ATOM 0 HA TYR A 38 6.386 -13.769 -8.604 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.464 -12.895 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.316 -14.028 -6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.382 -16.087 -7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.471 -13.701 -4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.061 -17.900 -7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.136 -15.522 -4.497 1.00 0.00 H new ATOM 0 HH TYR A 38 10.791 -17.573 -5.132 1.00 0.00 H new ATOM 605 N LYS A 39 5.181 -11.760 -9.517 1.00 0.00 N ATOM 606 CA LYS A 39 4.208 -10.836 -10.117 1.00 0.00 C ATOM 607 C LYS A 39 2.818 -11.462 -10.252 1.00 0.00 C ATOM 608 O LYS A 39 2.685 -12.652 -10.550 1.00 0.00 O ATOM 609 CB LYS A 39 4.726 -10.361 -11.483 1.00 0.00 C ATOM 610 CG LYS A 39 5.966 -9.466 -11.341 1.00 0.00 C ATOM 611 CD LYS A 39 6.603 -9.186 -12.705 1.00 0.00 C ATOM 612 CE LYS A 39 7.848 -8.312 -12.523 1.00 0.00 C ATOM 613 NZ LYS A 39 8.509 -8.033 -13.822 1.00 0.00 N ATOM 0 H LYS A 39 5.726 -12.257 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 39 4.101 -9.981 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.970 -11.226 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.939 -9.812 -12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.687 -8.525 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.694 -9.948 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.873 -10.124 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.887 -8.685 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.568 -7.373 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.550 -8.811 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.348 -7.439 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.797 -8.929 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.846 -7.535 -14.449 1.00 0.00 H new ATOM 627 N CYS A 40 1.789 -10.635 -10.087 1.00 0.00 N ATOM 628 CA CYS A 40 0.393 -10.983 -10.330 1.00 0.00 C ATOM 629 C CYS A 40 0.088 -11.031 -11.849 1.00 0.00 C ATOM 630 O CYS A 40 0.530 -10.145 -12.591 1.00 0.00 O ATOM 631 CB CYS A 40 -0.458 -9.958 -9.579 1.00 0.00 C ATOM 632 SG CYS A 40 -2.232 -10.275 -9.763 1.00 0.00 S ATOM 0 H CYS A 40 1.909 -9.673 -9.770 1.00 0.00 H new ATOM 0 HA CYS A 40 0.161 -11.983 -9.963 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.195 -9.975 -8.521 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.229 -8.958 -9.948 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.719 -10.688 -8.631 1.00 0.00 H new ATOM 637 N PRO A 41 -0.667 -12.035 -12.339 1.00 0.00 N ATOM 638 CA PRO A 41 -1.133 -12.095 -13.722 1.00 0.00 C ATOM 639 C PRO A 41 -2.350 -11.184 -13.987 1.00 0.00 C ATOM 640 O PRO A 41 -2.724 -11.003 -15.147 1.00 0.00 O ATOM 641 CB PRO A 41 -1.461 -13.574 -13.949 1.00 0.00 C ATOM 642 CG PRO A 41 -1.939 -14.048 -12.577 1.00 0.00 C ATOM 643 CD PRO A 41 -1.111 -13.210 -11.605 1.00 0.00 C ATOM 0 HA PRO A 41 -0.377 -11.726 -14.415 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.232 -13.702 -14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.587 -14.132 -14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.008 -13.879 -12.443 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.765 -15.115 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.706 -12.923 -10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.259 -13.779 -11.233 1.00 0.00 H new ATOM 651 N GLN A 42 -2.979 -10.623 -12.942 1.00 0.00 N ATOM 652 CA GLN A 42 -4.234 -9.862 -13.034 1.00 0.00 C ATOM 653 C GLN A 42 -4.095 -8.363 -12.705 1.00 0.00 C ATOM 654 O GLN A 42 -4.917 -7.583 -13.196 1.00 0.00 O ATOM 655 CB GLN A 42 -5.301 -10.533 -12.148 1.00 0.00 C ATOM 656 CG GLN A 42 -5.727 -11.906 -12.693 1.00 0.00 C ATOM 657 CD GLN A 42 -6.696 -12.616 -11.751 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.303 -13.320 -10.831 1.00 0.00 O ATOM 659 NE2 GLN A 42 -7.993 -12.466 -11.928 1.00 0.00 N ATOM 0 H GLN A 42 -2.621 -10.688 -11.989 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.542 -9.886 -14.079 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.910 -10.650 -11.137 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.174 -9.884 -12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.196 -11.780 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.844 -12.528 -12.842 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.340 -11.883 -12.690 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.650 -12.933 -11.303 1.00 0.00 H new ATOM 668 N CYS A 43 -3.090 -7.931 -11.923 1.00 0.00 N ATOM 669 CA CYS A 43 -2.852 -6.514 -11.621 1.00 0.00 C ATOM 670 C CYS A 43 -1.348 -6.166 -11.492 1.00 0.00 C ATOM 671 O CYS A 43 -0.473 -6.999 -11.740 1.00 0.00 O ATOM 672 CB CYS A 43 -3.686 -6.137 -10.383 1.00 0.00 C ATOM 673 SG CYS A 43 -3.039 -6.916 -8.893 1.00 0.00 S ATOM 0 H CYS A 43 -2.419 -8.560 -11.482 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.181 -5.903 -12.461 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.686 -5.054 -10.259 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.722 -6.441 -10.534 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.726 -8.151 -9.150 1.00 0.00 H new ATOM 678 N SER A 44 -1.046 -4.917 -11.125 1.00 0.00 N ATOM 679 CA SER A 44 0.319 -4.369 -11.008 1.00 0.00 C ATOM 680 C SER A 44 1.125 -4.898 -9.802 1.00 0.00 C ATOM 681 O SER A 44 2.277 -4.503 -9.608 1.00 0.00 O ATOM 682 CB SER A 44 0.262 -2.835 -10.954 1.00 0.00 C ATOM 683 OG SER A 44 -0.459 -2.312 -12.062 1.00 0.00 O ATOM 0 H SER A 44 -1.765 -4.232 -10.892 1.00 0.00 H new ATOM 0 HA SER A 44 0.850 -4.712 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.212 -2.518 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.274 -2.430 -10.950 1.00 0.00 H new ATOM 0 HG SER A 44 -0.483 -1.334 -12.004 1.00 0.00 H new ATOM 689 N TYR A 45 0.536 -5.772 -8.979 1.00 0.00 N ATOM 690 CA TYR A 45 1.152 -6.370 -7.794 1.00 0.00 C ATOM 691 C TYR A 45 2.407 -7.206 -8.113 1.00 0.00 C ATOM 692 O TYR A 45 2.439 -7.978 -9.075 1.00 0.00 O ATOM 693 CB TYR A 45 0.092 -7.233 -7.092 1.00 0.00 C ATOM 694 CG TYR A 45 0.605 -8.024 -5.895 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.267 -9.256 -6.078 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.443 -7.507 -4.594 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.772 -9.962 -4.970 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.927 -8.222 -3.481 1.00 0.00 C ATOM 699 CZ TYR A 45 1.591 -9.453 -3.667 1.00 0.00 C ATOM 700 OH TYR A 45 2.059 -10.156 -2.603 1.00 0.00 O ATOM 0 H TYR A 45 -0.420 -6.094 -9.128 1.00 0.00 H new ATOM 0 HA TYR A 45 1.496 -5.564 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.722 -6.587 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.328 -7.930 -7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.387 -9.659 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.054 -6.559 -4.450 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.298 -10.894 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.790 -7.828 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 45 1.856 -9.671 -1.776 1.00 0.00 H new ATOM 710 N ALA A 46 3.417 -7.088 -7.249 1.00 0.00 N ATOM 711 CA ALA A 46 4.603 -7.947 -7.216 1.00 0.00 C ATOM 712 C ALA A 46 5.140 -8.131 -5.781 1.00 0.00 C ATOM 713 O ALA A 46 4.994 -7.236 -4.943 1.00 0.00 O ATOM 714 CB ALA A 46 5.674 -7.363 -8.143 1.00 0.00 C ATOM 0 H ALA A 46 3.433 -6.367 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 46 4.325 -8.940 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.559 -7.999 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.287 -7.313 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.939 -6.361 -7.807 1.00 0.00 H new ATOM 720 N SER A 47 5.807 -9.258 -5.506 1.00 0.00 N ATOM 721 CA SER A 47 6.482 -9.536 -4.226 1.00 0.00 C ATOM 722 C SER A 47 7.768 -10.365 -4.383 1.00 0.00 C ATOM 723 O SER A 47 8.060 -10.901 -5.454 1.00 0.00 O ATOM 724 CB SER A 47 5.501 -10.222 -3.264 1.00 0.00 C ATOM 725 OG SER A 47 5.998 -10.166 -1.933 1.00 0.00 O ATOM 0 H SER A 47 5.896 -10.020 -6.178 1.00 0.00 H new ATOM 0 HA SER A 47 6.796 -8.578 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.527 -9.735 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.354 -11.260 -3.562 1.00 0.00 H new ATOM 0 HG SER A 47 5.960 -9.242 -1.608 1.00 0.00 H new ATOM 731 N ALA A 48 8.537 -10.477 -3.297 1.00 0.00 N ATOM 732 CA ALA A 48 9.737 -11.307 -3.173 1.00 0.00 C ATOM 733 C ALA A 48 9.467 -12.694 -2.541 1.00 0.00 C ATOM 734 O ALA A 48 10.392 -13.498 -2.418 1.00 0.00 O ATOM 735 CB ALA A 48 10.788 -10.502 -2.400 1.00 0.00 C ATOM 0 H ALA A 48 8.329 -9.966 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 48 10.108 -11.543 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.695 -11.097 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.017 -9.586 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.400 -10.250 -1.413 1.00 0.00 H new ATOM 741 N ILE A 49 8.214 -12.991 -2.159 1.00 0.00 N ATOM 742 CA ILE A 49 7.797 -14.260 -1.536 1.00 0.00 C ATOM 743 C ILE A 49 6.592 -14.854 -2.289 1.00 0.00 C ATOM 744 O ILE A 49 5.568 -14.189 -2.468 1.00 0.00 O ATOM 745 CB ILE A 49 7.505 -14.057 -0.025 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.717 -13.427 0.707 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.118 -15.394 0.636 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.503 -13.170 2.205 1.00 0.00 C ATOM 0 H ILE A 49 7.441 -12.337 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 49 8.613 -14.979 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 49 6.666 -13.366 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.578 -14.084 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.965 -12.483 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.917 -15.232 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.225 -15.793 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.937 -16.104 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.404 -12.728 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.665 -12.486 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.288 -14.112 2.709 1.00 0.00 H new ATOM 760 N LYS A 50 6.684 -16.130 -2.686 1.00 0.00 N ATOM 761 CA LYS A 50 5.646 -16.843 -3.463 1.00 0.00 C ATOM 762 C LYS A 50 4.353 -17.064 -2.670 1.00 0.00 C ATOM 763 O LYS A 50 3.256 -16.915 -3.208 1.00 0.00 O ATOM 764 CB LYS A 50 6.239 -18.171 -3.968 1.00 0.00 C ATOM 765 CG LYS A 50 5.389 -18.810 -5.078 1.00 0.00 C ATOM 766 CD LYS A 50 6.074 -20.073 -5.625 1.00 0.00 C ATOM 767 CE LYS A 50 5.329 -20.682 -6.823 1.00 0.00 C ATOM 768 NZ LYS A 50 4.029 -21.293 -6.439 1.00 0.00 N ATOM 0 H LYS A 50 7.495 -16.712 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 50 5.358 -16.221 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.248 -17.996 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.325 -18.867 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.403 -19.064 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.237 -18.094 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.093 -19.828 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.144 -20.816 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.155 -19.907 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.958 -21.440 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.568 -21.688 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.193 -22.052 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.415 -20.567 -6.018 1.00 0.00 H new ATOM 782 N ALA A 51 4.467 -17.346 -1.372 1.00 0.00 N ATOM 783 CA ALA A 51 3.323 -17.452 -0.465 1.00 0.00 C ATOM 784 C ALA A 51 2.596 -16.105 -0.268 1.00 0.00 C ATOM 785 O ALA A 51 1.377 -16.085 -0.119 1.00 0.00 O ATOM 786 CB ALA A 51 3.814 -18.030 0.869 1.00 0.00 C ATOM 0 H ALA A 51 5.365 -17.509 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 51 2.583 -18.119 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.975 -18.117 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.249 -19.015 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.568 -17.369 1.296 1.00 0.00 H new ATOM 792 N ASN A 52 3.302 -14.970 -0.344 1.00 0.00 N ATOM 793 CA ASN A 52 2.673 -13.647 -0.282 1.00 0.00 C ATOM 794 C ASN A 52 1.838 -13.370 -1.548 1.00 0.00 C ATOM 795 O ASN A 52 0.700 -12.911 -1.447 1.00 0.00 O ATOM 796 CB ASN A 52 3.753 -12.583 -0.029 1.00 0.00 C ATOM 797 CG ASN A 52 3.181 -11.243 0.414 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.144 -11.144 1.055 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.874 -10.170 0.125 1.00 0.00 N ATOM 0 H ASN A 52 4.316 -14.943 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 52 1.970 -13.611 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.441 -12.947 0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.334 -12.440 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.549 -9.254 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.739 -10.250 -0.409 1.00 0.00 H new ATOM 806 N LEU A 53 2.339 -13.769 -2.729 1.00 0.00 N ATOM 807 CA LEU A 53 1.551 -13.771 -3.967 1.00 0.00 C ATOM 808 C LEU A 53 0.326 -14.699 -3.857 1.00 0.00 C ATOM 809 O LEU A 53 -0.749 -14.332 -4.321 1.00 0.00 O ATOM 810 CB LEU A 53 2.466 -14.129 -5.158 1.00 0.00 C ATOM 811 CG LEU A 53 1.733 -14.262 -6.508 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.114 -12.944 -6.976 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.694 -14.743 -7.593 1.00 0.00 C ATOM 0 H LEU A 53 3.297 -14.097 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 53 1.150 -12.772 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.237 -13.364 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.974 -15.068 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 53 0.933 -14.985 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.611 -13.097 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.391 -12.599 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.898 -12.196 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.160 -14.831 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.508 -14.027 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.101 -15.715 -7.314 1.00 0.00 H new ATOM 825 N ASN A 54 0.424 -15.852 -3.189 1.00 0.00 N ATOM 826 CA ASN A 54 -0.726 -16.740 -2.952 1.00 0.00 C ATOM 827 C ASN A 54 -1.814 -16.090 -2.058 1.00 0.00 C ATOM 828 O ASN A 54 -3.010 -16.251 -2.309 1.00 0.00 O ATOM 829 CB ASN A 54 -0.198 -18.062 -2.368 1.00 0.00 C ATOM 830 CG ASN A 54 -1.244 -19.160 -2.399 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.190 -19.174 -1.625 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.117 -20.110 -3.296 1.00 0.00 N ATOM 0 H ASN A 54 1.299 -16.199 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.230 -16.934 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.679 -18.382 -2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.126 -17.900 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.807 -20.859 -3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.328 -20.099 -3.942 1.00 0.00 H new ATOM 839 N VAL A 55 -1.406 -15.297 -1.060 1.00 0.00 N ATOM 840 CA VAL A 55 -2.295 -14.486 -0.193 1.00 0.00 C ATOM 841 C VAL A 55 -2.878 -13.268 -0.928 1.00 0.00 C ATOM 842 O VAL A 55 -3.931 -12.753 -0.551 1.00 0.00 O ATOM 843 CB VAL A 55 -1.563 -14.090 1.106 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.357 -13.156 2.029 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.253 -15.351 1.915 1.00 0.00 C ATOM 0 H VAL A 55 -0.420 -15.193 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.151 -15.104 0.079 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.670 -13.556 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.765 -12.931 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.585 -12.230 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.286 -13.642 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.736 -15.076 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.183 -15.863 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.619 -16.014 1.326 1.00 0.00 H new ATOM 855 N HIS A 56 -2.253 -12.851 -2.025 1.00 0.00 N ATOM 856 CA HIS A 56 -2.776 -11.835 -2.944 1.00 0.00 C ATOM 857 C HIS A 56 -3.743 -12.397 -4.006 1.00 0.00 C ATOM 858 O HIS A 56 -4.816 -11.832 -4.219 1.00 0.00 O ATOM 859 CB HIS A 56 -1.595 -11.084 -3.573 1.00 0.00 C ATOM 860 CG HIS A 56 -2.061 -10.106 -4.612 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.740 -8.941 -4.364 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.069 -10.311 -5.964 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.166 -8.450 -5.532 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.786 -9.254 -6.555 1.00 0.00 N ATOM 0 H HIS A 56 -1.345 -13.217 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.387 -11.141 -2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.042 -10.556 -2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.907 -11.798 -4.025 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.894 -8.522 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.607 -11.137 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.734 -7.539 -5.645 1.00 0.00 H new ATOM 872 N LEU A 57 -3.425 -13.518 -4.657 1.00 0.00 N ATOM 873 CA LEU A 57 -4.257 -14.119 -5.715 1.00 0.00 C ATOM 874 C LEU A 57 -5.652 -14.520 -5.211 1.00 0.00 C ATOM 875 O LEU A 57 -6.641 -14.349 -5.924 1.00 0.00 O ATOM 876 CB LEU A 57 -3.530 -15.344 -6.281 1.00 0.00 C ATOM 877 CG LEU A 57 -2.313 -15.030 -7.166 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.515 -16.313 -7.390 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.718 -14.481 -8.532 1.00 0.00 C ATOM 0 H LEU A 57 -2.573 -14.045 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.407 -13.370 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.203 -15.969 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.240 -15.932 -6.862 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.722 -14.273 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.650 -16.098 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.179 -16.705 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.146 -17.053 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.824 -14.274 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.333 -15.216 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.286 -13.560 -8.400 1.00 0.00 H new ATOM 891 N ARG A 58 -5.758 -14.959 -3.950 1.00 0.00 N ATOM 892 CA ARG A 58 -7.036 -15.252 -3.266 1.00 0.00 C ATOM 893 C ARG A 58 -7.948 -14.032 -3.043 1.00 0.00 C ATOM 894 O ARG A 58 -9.107 -14.206 -2.673 1.00 0.00 O ATOM 895 CB ARG A 58 -6.760 -16.023 -1.971 1.00 0.00 C ATOM 896 CG ARG A 58 -6.000 -15.193 -0.929 1.00 0.00 C ATOM 897 CD ARG A 58 -5.735 -15.981 0.355 1.00 0.00 C ATOM 898 NE ARG A 58 -4.792 -17.101 0.154 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.472 -18.015 1.055 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.989 -18.019 2.252 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.615 -18.951 0.778 1.00 0.00 N ATOM 0 H ARG A 58 -4.943 -15.126 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.616 -15.878 -3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.706 -16.354 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.184 -16.919 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.052 -14.862 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.574 -14.297 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.336 -15.308 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.678 -16.370 0.738 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.348 -17.176 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.663 -17.302 2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.719 -18.739 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.180 -18.987 -0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.377 -19.650 1.482 1.00 0.00 H new ATOM 915 N LYS A 59 -7.455 -12.812 -3.297 1.00 0.00 N ATOM 916 CA LYS A 59 -8.246 -11.560 -3.321 1.00 0.00 C ATOM 917 C LYS A 59 -8.927 -11.302 -4.674 1.00 0.00 C ATOM 918 O LYS A 59 -9.912 -10.565 -4.731 1.00 0.00 O ATOM 919 CB LYS A 59 -7.379 -10.352 -2.910 1.00 0.00 C ATOM 920 CG LYS A 59 -6.626 -10.577 -1.588 1.00 0.00 C ATOM 921 CD LYS A 59 -5.926 -9.303 -1.095 1.00 0.00 C ATOM 922 CE LYS A 59 -5.192 -9.603 0.218 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.551 -8.386 0.781 1.00 0.00 N ATOM 0 H LYS A 59 -6.467 -12.658 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.044 -11.689 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.659 -10.142 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.014 -9.471 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.326 -10.922 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.887 -11.367 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.221 -8.948 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.657 -8.508 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.896 -10.012 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.434 -10.366 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.065 -8.628 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.861 -8.010 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.278 -7.667 0.970 1.00 0.00 H new ATOM 937 N HIS A 60 -8.458 -11.941 -5.752 1.00 0.00 N ATOM 938 CA HIS A 60 -9.038 -11.860 -7.106 1.00 0.00 C ATOM 939 C HIS A 60 -10.260 -12.786 -7.343 1.00 0.00 C ATOM 940 O HIS A 60 -10.657 -13.028 -8.483 1.00 0.00 O ATOM 941 CB HIS A 60 -7.933 -12.047 -8.162 1.00 0.00 C ATOM 942 CG HIS A 60 -6.993 -10.876 -8.278 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.339 -9.618 -8.718 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.642 -10.871 -8.052 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.237 -8.858 -8.751 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.158 -9.575 -8.361 1.00 0.00 N ATOM 0 H HIS A 60 -7.640 -12.548 -5.709 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.456 -10.859 -7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.357 -12.939 -7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.398 -12.224 -9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.052 -11.705 -7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.213 -7.820 -9.047 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.193 -9.249 -8.301 1.00 0.00 H new ATOM 1012 N PHE A 65 -15.527 -10.711 -16.048 1.00 0.00 N ATOM 1013 CA PHE A 65 -15.783 -9.982 -17.294 1.00 0.00 C ATOM 1014 C PHE A 65 -16.467 -10.898 -18.324 1.00 0.00 C ATOM 1015 O PHE A 65 -16.274 -12.115 -18.285 1.00 0.00 O ATOM 1016 CB PHE A 65 -14.458 -9.408 -17.825 1.00 0.00 C ATOM 1017 CG PHE A 65 -13.629 -8.674 -16.785 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -13.986 -7.373 -16.384 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -12.522 -9.308 -16.190 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -13.237 -6.709 -15.395 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -11.771 -8.643 -15.204 1.00 0.00 C ATOM 1022 CZ PHE A 65 -12.127 -7.342 -14.809 1.00 0.00 C ATOM 0 HA PHE A 65 -16.465 -9.153 -17.104 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.863 -10.223 -18.237 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.675 -8.725 -18.646 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -14.836 -6.884 -16.836 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.248 -10.308 -16.492 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.515 -5.712 -15.086 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.921 -9.132 -14.751 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.548 -6.829 -14.056 1.00 0.00 H new ATOM 1032 N ALA A 66 -17.252 -10.337 -19.249 1.00 0.00 N ATOM 1033 CA ALA A 66 -18.060 -11.096 -20.212 1.00 0.00 C ATOM 1034 C ALA A 66 -17.937 -10.568 -21.653 1.00 0.00 C ATOM 1035 O ALA A 66 -17.880 -9.355 -21.880 1.00 0.00 O ATOM 1036 CB ALA A 66 -19.519 -11.085 -19.738 1.00 0.00 C ATOM 0 H ALA A 66 -17.346 -9.327 -19.352 1.00 0.00 H new ATOM 0 HA ALA A 66 -17.682 -12.118 -20.246 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.135 -11.645 -20.442 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.585 -11.546 -18.752 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.876 -10.057 -19.682 1.00 0.00 H new ATOM 1042 N CYS A 67 -17.933 -11.487 -22.623 1.00 0.00 N ATOM 1043 CA CYS A 67 -17.882 -11.194 -24.054 1.00 0.00 C ATOM 1044 C CYS A 67 -19.156 -10.472 -24.541 1.00 0.00 C ATOM 1045 O CYS A 67 -20.267 -10.722 -24.062 1.00 0.00 O ATOM 1046 CB CYS A 67 -17.607 -12.515 -24.782 1.00 0.00 C ATOM 1047 SG CYS A 67 -17.336 -12.253 -26.562 1.00 0.00 S ATOM 0 H CYS A 67 -17.966 -12.487 -22.425 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.078 -10.493 -24.277 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -16.731 -12.996 -24.347 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -18.448 -13.193 -24.637 1.00 0.00 H new ATOM 0 HG CYS A 67 -16.381 -13.032 -26.975 1.00 0.00 H new ATOM 1052 N ASP A 68 -18.983 -9.566 -25.505 1.00 0.00 N ATOM 1053 CA ASP A 68 -20.073 -8.820 -26.151 1.00 0.00 C ATOM 1054 C ASP A 68 -20.672 -9.569 -27.361 1.00 0.00 C ATOM 1055 O ASP A 68 -21.712 -9.167 -27.892 1.00 0.00 O ATOM 1056 CB ASP A 68 -19.552 -7.426 -26.533 1.00 0.00 C ATOM 1057 CG ASP A 68 -20.681 -6.457 -26.935 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -21.580 -6.195 -26.099 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -20.648 -5.910 -28.064 1.00 0.00 O ATOM 0 H ASP A 68 -18.062 -9.323 -25.869 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.897 -8.719 -25.445 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.001 -7.006 -25.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.848 -7.520 -27.360 1.00 0.00 H new ATOM 1064 N TYR A 69 -20.032 -10.665 -27.792 1.00 0.00 N ATOM 1065 CA TYR A 69 -20.331 -11.377 -29.044 1.00 0.00 C ATOM 1066 C TYR A 69 -20.709 -12.861 -28.851 1.00 0.00 C ATOM 1067 O TYR A 69 -21.319 -13.450 -29.747 1.00 0.00 O ATOM 1068 CB TYR A 69 -19.116 -11.249 -29.973 1.00 0.00 C ATOM 1069 CG TYR A 69 -18.665 -9.830 -30.268 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -19.303 -9.082 -31.276 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -17.603 -9.264 -29.535 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -18.883 -7.767 -31.552 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -17.182 -7.947 -29.807 1.00 0.00 C ATOM 1074 CZ TYR A 69 -17.820 -7.194 -30.815 1.00 0.00 C ATOM 1075 OH TYR A 69 -17.403 -5.924 -31.075 1.00 0.00 O ATOM 0 H TYR A 69 -19.271 -11.093 -27.265 1.00 0.00 H new ATOM 0 HA TYR A 69 -21.215 -10.913 -29.481 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.282 -11.792 -29.528 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -19.349 -11.741 -30.917 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -20.116 -9.518 -31.838 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.112 -9.840 -28.765 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -19.372 -7.195 -32.327 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.370 -7.513 -29.243 1.00 0.00 H new ATOM 0 HH TYR A 69 -16.664 -5.693 -30.474 1.00 0.00 H new ATOM 1085 N CYS A 70 -20.370 -13.465 -27.703 1.00 0.00 N ATOM 1086 CA CYS A 70 -20.750 -14.832 -27.315 1.00 0.00 C ATOM 1087 C CYS A 70 -20.973 -14.972 -25.788 1.00 0.00 C ATOM 1088 O CYS A 70 -21.011 -13.981 -25.051 1.00 0.00 O ATOM 1089 CB CYS A 70 -19.719 -15.831 -27.872 1.00 0.00 C ATOM 1090 SG CYS A 70 -18.131 -15.711 -27.011 1.00 0.00 S ATOM 0 H CYS A 70 -19.804 -12.999 -26.994 1.00 0.00 H new ATOM 0 HA CYS A 70 -21.717 -15.067 -27.759 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -20.108 -16.845 -27.777 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -19.570 -15.645 -28.936 1.00 0.00 H new ATOM 0 HG CYS A 70 -17.824 -14.460 -26.839 1.00 0.00 H new ATOM 1095 N SER A 71 -21.147 -16.207 -25.311 1.00 0.00 N ATOM 1096 CA SER A 71 -21.384 -16.560 -23.902 1.00 0.00 C ATOM 1097 C SER A 71 -20.112 -16.653 -23.034 1.00 0.00 C ATOM 1098 O SER A 71 -20.204 -16.953 -21.840 1.00 0.00 O ATOM 1099 CB SER A 71 -22.185 -17.867 -23.838 1.00 0.00 C ATOM 1100 OG SER A 71 -21.498 -18.916 -24.508 1.00 0.00 O ATOM 0 H SER A 71 -21.126 -17.026 -25.919 1.00 0.00 H new ATOM 0 HA SER A 71 -21.952 -15.736 -23.469 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.354 -18.144 -22.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.165 -17.720 -24.292 1.00 0.00 H new ATOM 0 HG SER A 71 -22.026 -19.740 -24.453 1.00 0.00 H new ATOM 1106 N PHE A 72 -18.925 -16.398 -23.599 1.00 0.00 N ATOM 1107 CA PHE A 72 -17.636 -16.487 -22.897 1.00 0.00 C ATOM 1108 C PHE A 72 -17.507 -15.489 -21.727 1.00 0.00 C ATOM 1109 O PHE A 72 -17.943 -14.337 -21.818 1.00 0.00 O ATOM 1110 CB PHE A 72 -16.505 -16.275 -23.913 1.00 0.00 C ATOM 1111 CG PHE A 72 -15.101 -16.288 -23.340 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -14.494 -17.502 -22.967 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -14.393 -15.081 -23.183 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -13.189 -17.506 -22.437 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -13.086 -15.084 -22.665 1.00 0.00 C ATOM 1116 CZ PHE A 72 -12.486 -16.297 -22.284 1.00 0.00 C ATOM 0 H PHE A 72 -18.831 -16.119 -24.575 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.570 -17.479 -22.450 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -16.575 -17.051 -24.675 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.665 -15.321 -24.415 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -15.030 -18.432 -23.087 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -14.857 -14.147 -23.462 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -12.727 -18.439 -22.148 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.544 -14.156 -22.560 1.00 0.00 H new ATOM 0 HZ PHE A 72 -11.487 -16.301 -21.874 1.00 0.00 H new ATOM 1126 N THR A 73 -16.846 -15.920 -20.646 1.00 0.00 N ATOM 1127 CA THR A 73 -16.447 -15.068 -19.512 1.00 0.00 C ATOM 1128 C THR A 73 -15.002 -15.322 -19.072 1.00 0.00 C ATOM 1129 O THR A 73 -14.447 -16.400 -19.301 1.00 0.00 O ATOM 1130 CB THR A 73 -17.382 -15.195 -18.296 1.00 0.00 C ATOM 1131 OG1 THR A 73 -17.400 -16.501 -17.755 1.00 0.00 O ATOM 1132 CG2 THR A 73 -18.830 -14.809 -18.583 1.00 0.00 C ATOM 0 H THR A 73 -16.566 -16.894 -20.530 1.00 0.00 H new ATOM 0 HA THR A 73 -16.527 -14.049 -19.891 1.00 0.00 H new ATOM 0 HB THR A 73 -16.957 -14.490 -17.582 1.00 0.00 H new ATOM 0 HG1 THR A 73 -18.006 -16.528 -16.986 1.00 0.00 H new ATOM 0 HG21 THR A 73 -19.424 -14.926 -17.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.871 -13.771 -18.913 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.230 -15.454 -19.365 1.00 0.00 H new ATOM 1140 N CYS A 74 -14.384 -14.318 -18.442 1.00 0.00 N ATOM 1141 CA CYS A 74 -12.967 -14.308 -18.069 1.00 0.00 C ATOM 1142 C CYS A 74 -12.721 -13.579 -16.734 1.00 0.00 C ATOM 1143 O CYS A 74 -13.509 -12.721 -16.332 1.00 0.00 O ATOM 1144 CB CYS A 74 -12.202 -13.636 -19.219 1.00 0.00 C ATOM 1145 SG CYS A 74 -10.420 -13.907 -19.040 1.00 0.00 S ATOM 0 H CYS A 74 -14.871 -13.464 -18.170 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.618 -15.329 -17.914 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.543 -14.037 -20.174 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.414 -12.567 -19.229 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.802 -12.764 -19.070 1.00 0.00 H new ATOM 1151 N LEU A 75 -11.596 -13.874 -16.072 1.00 0.00 N ATOM 1152 CA LEU A 75 -11.117 -13.175 -14.865 1.00 0.00 C ATOM 1153 C LEU A 75 -10.041 -12.106 -15.164 1.00 0.00 C ATOM 1154 O LEU A 75 -9.449 -11.537 -14.245 1.00 0.00 O ATOM 1155 CB LEU A 75 -10.666 -14.207 -13.808 1.00 0.00 C ATOM 1156 CG LEU A 75 -11.709 -15.284 -13.443 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -11.163 -16.164 -12.319 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -13.045 -14.696 -12.984 1.00 0.00 C ATOM 0 H LEU A 75 -10.973 -14.626 -16.366 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.952 -12.608 -14.453 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.768 -14.705 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.388 -13.673 -12.899 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.891 -15.859 -14.351 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.900 -16.925 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.243 -16.647 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.956 -15.549 -11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.735 -15.505 -12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.886 -14.078 -12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.467 -14.086 -13.782 1.00 0.00 H new ATOM 1170 N SER A 76 -9.795 -11.812 -16.447 1.00 0.00 N ATOM 1171 CA SER A 76 -8.957 -10.705 -16.927 1.00 0.00 C ATOM 1172 C SER A 76 -9.585 -10.044 -18.155 1.00 0.00 C ATOM 1173 O SER A 76 -9.851 -10.705 -19.165 1.00 0.00 O ATOM 1174 CB SER A 76 -7.548 -11.206 -17.267 1.00 0.00 C ATOM 1175 OG SER A 76 -6.811 -10.189 -17.932 1.00 0.00 O ATOM 0 H SER A 76 -10.190 -12.361 -17.210 1.00 0.00 H new ATOM 0 HA SER A 76 -8.886 -9.965 -16.130 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.030 -11.503 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.612 -12.091 -17.900 1.00 0.00 H new ATOM 0 HG SER A 76 -5.913 -10.520 -18.142 1.00 0.00 H new ATOM 1181 N LYS A 77 -9.770 -8.718 -18.102 1.00 0.00 N ATOM 1182 CA LYS A 77 -10.243 -7.917 -19.245 1.00 0.00 C ATOM 1183 C LYS A 77 -9.207 -7.794 -20.375 1.00 0.00 C ATOM 1184 O LYS A 77 -9.583 -7.557 -21.522 1.00 0.00 O ATOM 1185 CB LYS A 77 -10.841 -6.575 -18.770 1.00 0.00 C ATOM 1186 CG LYS A 77 -10.016 -5.702 -17.804 1.00 0.00 C ATOM 1187 CD LYS A 77 -8.762 -5.064 -18.415 1.00 0.00 C ATOM 1188 CE LYS A 77 -8.161 -4.057 -17.425 1.00 0.00 C ATOM 1189 NZ LYS A 77 -6.948 -3.398 -17.976 1.00 0.00 N ATOM 0 H LYS A 77 -9.596 -8.166 -17.262 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.061 -8.463 -19.714 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.057 -5.977 -19.655 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.796 -6.789 -18.290 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.657 -4.909 -17.418 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.716 -6.313 -16.953 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.030 -5.835 -18.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.015 -4.563 -19.350 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.906 -3.300 -17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.907 -4.568 -16.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.571 -2.725 -17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.228 -4.118 -18.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.195 -2.889 -18.849 1.00 0.00 H new ATOM 1203 N GLY A 78 -7.925 -8.044 -20.086 1.00 0.00 N ATOM 1204 CA GLY A 78 -6.861 -8.144 -21.092 1.00 0.00 C ATOM 1205 C GLY A 78 -6.962 -9.439 -21.899 1.00 0.00 C ATOM 1206 O GLY A 78 -6.963 -9.410 -23.129 1.00 0.00 O ATOM 0 H GLY A 78 -7.592 -8.185 -19.132 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.917 -7.290 -21.767 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.890 -8.097 -20.600 1.00 0.00 H new ATOM 1210 N HIS A 79 -7.152 -10.576 -21.222 1.00 0.00 N ATOM 1211 CA HIS A 79 -7.374 -11.864 -21.891 1.00 0.00 C ATOM 1212 C HIS A 79 -8.732 -11.906 -22.620 1.00 0.00 C ATOM 1213 O HIS A 79 -8.835 -12.493 -23.697 1.00 0.00 O ATOM 1214 CB HIS A 79 -7.215 -12.997 -20.873 1.00 0.00 C ATOM 1215 CG HIS A 79 -7.229 -14.370 -21.501 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -6.124 -15.091 -21.905 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -8.330 -15.132 -21.796 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -6.548 -16.254 -22.427 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -7.891 -16.327 -22.384 1.00 0.00 N ATOM 0 H HIS A 79 -7.157 -10.631 -20.203 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.622 -11.996 -22.669 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.278 -12.862 -20.333 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.018 -12.932 -20.139 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.358 -14.859 -21.608 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.902 -17.022 -22.825 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.473 -17.097 -22.713 1.00 0.00 H new ATOM 1227 N LEU A 80 -9.758 -11.215 -22.105 1.00 0.00 N ATOM 1228 CA LEU A 80 -11.029 -11.026 -22.815 1.00 0.00 C ATOM 1229 C LEU A 80 -10.856 -10.224 -24.117 1.00 0.00 C ATOM 1230 O LEU A 80 -11.436 -10.590 -25.138 1.00 0.00 O ATOM 1231 CB LEU A 80 -12.043 -10.357 -21.872 1.00 0.00 C ATOM 1232 CG LEU A 80 -13.432 -10.128 -22.498 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -14.102 -11.432 -22.936 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -14.340 -9.452 -21.478 1.00 0.00 C ATOM 0 H LEU A 80 -9.730 -10.772 -21.186 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.406 -12.005 -23.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.156 -10.975 -20.981 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.641 -9.398 -21.546 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.284 -9.505 -23.380 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.077 -11.212 -23.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.478 -11.930 -23.679 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.228 -12.084 -22.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.324 -9.289 -21.918 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.437 -10.089 -20.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.910 -8.494 -21.186 1.00 0.00 H new ATOM 1246 N LYS A 81 -10.018 -9.177 -24.130 1.00 0.00 N ATOM 1247 CA LYS A 81 -9.680 -8.447 -25.364 1.00 0.00 C ATOM 1248 C LYS A 81 -8.992 -9.366 -26.382 1.00 0.00 C ATOM 1249 O LYS A 81 -9.368 -9.355 -27.552 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.847 -7.200 -25.025 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.645 -6.295 -26.253 1.00 0.00 C ATOM 1252 CD LYS A 81 -7.835 -5.026 -25.945 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.580 -4.074 -24.999 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.822 -2.812 -24.787 1.00 0.00 N ATOM 0 H LYS A 81 -9.559 -8.814 -23.295 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.599 -8.105 -25.841 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.343 -6.635 -24.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.876 -7.507 -24.636 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.137 -6.861 -27.034 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.619 -6.009 -26.649 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.881 -5.306 -25.498 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.610 -4.506 -26.876 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.562 -3.845 -25.412 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.744 -4.566 -24.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.353 -2.192 -24.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.894 -3.030 -24.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.687 -2.330 -25.699 1.00 0.00 H new ATOM 1268 N VAL A 82 -8.072 -10.229 -25.941 1.00 0.00 N ATOM 1269 CA VAL A 82 -7.432 -11.244 -26.804 1.00 0.00 C ATOM 1270 C VAL A 82 -8.451 -12.260 -27.345 1.00 0.00 C ATOM 1271 O VAL A 82 -8.409 -12.572 -28.535 1.00 0.00 O ATOM 1272 CB VAL A 82 -6.260 -11.939 -26.077 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -5.634 -13.063 -26.912 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -5.140 -10.933 -25.772 1.00 0.00 C ATOM 0 H VAL A 82 -7.745 -10.249 -24.975 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.018 -10.723 -27.667 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.684 -12.355 -25.163 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.815 -13.518 -26.354 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.389 -13.819 -27.129 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.252 -12.652 -27.847 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.323 -11.442 -25.260 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.772 -10.504 -26.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.528 -10.138 -25.135 1.00 0.00 H new ATOM 1284 N HIS A 83 -9.418 -12.716 -26.537 1.00 0.00 N ATOM 1285 CA HIS A 83 -10.544 -13.537 -27.012 1.00 0.00 C ATOM 1286 C HIS A 83 -11.337 -12.820 -28.118 1.00 0.00 C ATOM 1287 O HIS A 83 -11.606 -13.413 -29.163 1.00 0.00 O ATOM 1288 CB HIS A 83 -11.453 -13.932 -25.830 1.00 0.00 C ATOM 1289 CG HIS A 83 -12.803 -14.476 -26.242 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -13.110 -15.789 -26.502 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -13.950 -13.754 -26.439 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -14.403 -15.864 -26.854 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -14.974 -14.634 -26.850 1.00 0.00 N ATOM 0 H HIS A 83 -9.443 -12.527 -25.535 1.00 0.00 H new ATOM 0 HA HIS A 83 -10.140 -14.449 -27.451 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -10.941 -14.681 -25.226 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -11.604 -13.059 -25.195 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -12.464 -16.575 -26.438 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -14.054 -12.688 -26.302 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.918 -16.779 -27.106 1.00 0.00 H new ATOM 1301 N ILE A 84 -11.670 -11.537 -27.938 1.00 0.00 N ATOM 1302 CA ILE A 84 -12.397 -10.751 -28.948 1.00 0.00 C ATOM 1303 C ILE A 84 -11.575 -10.619 -30.239 1.00 0.00 C ATOM 1304 O ILE A 84 -12.104 -10.876 -31.321 1.00 0.00 O ATOM 1305 CB ILE A 84 -12.866 -9.395 -28.365 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -13.918 -9.635 -27.251 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -13.468 -8.498 -29.463 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -14.247 -8.394 -26.410 1.00 0.00 C ATOM 0 H ILE A 84 -11.445 -11.013 -27.092 1.00 0.00 H new ATOM 0 HA ILE A 84 -13.305 -11.286 -29.226 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.998 -8.887 -27.945 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -14.836 -10.002 -27.709 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.555 -10.421 -26.589 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -13.789 -7.553 -29.025 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.717 -8.307 -30.229 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -14.325 -8.999 -29.913 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.990 -8.652 -25.656 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.342 -8.036 -25.920 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -14.643 -7.611 -27.057 1.00 0.00 H new ATOM 1320 N GLU A 85 -10.278 -10.311 -30.149 1.00 0.00 N ATOM 1321 CA GLU A 85 -9.412 -10.178 -31.328 1.00 0.00 C ATOM 1322 C GLU A 85 -9.197 -11.500 -32.090 1.00 0.00 C ATOM 1323 O GLU A 85 -9.121 -11.481 -33.320 1.00 0.00 O ATOM 1324 CB GLU A 85 -8.053 -9.563 -30.954 1.00 0.00 C ATOM 1325 CG GLU A 85 -8.161 -8.090 -30.540 1.00 0.00 C ATOM 1326 CD GLU A 85 -6.798 -7.383 -30.640 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -5.953 -7.530 -29.726 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -6.580 -6.660 -31.645 1.00 0.00 O ATOM 0 H GLU A 85 -9.799 -10.147 -29.263 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.943 -9.507 -32.003 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.614 -10.134 -30.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.375 -9.648 -31.803 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.885 -7.582 -31.178 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.534 -8.023 -29.518 1.00 0.00 H new ATOM 1335 N ARG A 86 -9.122 -12.643 -31.390 1.00 0.00 N ATOM 1336 CA ARG A 86 -8.885 -13.967 -32.000 1.00 0.00 C ATOM 1337 C ARG A 86 -10.152 -14.657 -32.517 1.00 0.00 C ATOM 1338 O ARG A 86 -10.089 -15.327 -33.549 1.00 0.00 O ATOM 1339 CB ARG A 86 -8.151 -14.880 -31.003 1.00 0.00 C ATOM 1340 CG ARG A 86 -6.691 -14.450 -30.794 1.00 0.00 C ATOM 1341 CD ARG A 86 -5.965 -15.440 -29.877 1.00 0.00 C ATOM 1342 NE ARG A 86 -4.548 -15.067 -29.680 1.00 0.00 N ATOM 1343 CZ ARG A 86 -3.529 -15.337 -30.477 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -3.666 -16.000 -31.593 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -2.329 -14.938 -30.165 1.00 0.00 N ATOM 0 H ARG A 86 -9.225 -12.678 -30.376 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.266 -13.788 -32.879 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.673 -14.866 -30.046 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.178 -15.908 -31.365 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.181 -14.395 -31.756 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.659 -13.451 -30.359 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.469 -15.478 -28.911 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.021 -16.441 -30.305 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.332 -14.542 -28.833 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.587 -16.332 -31.879 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.852 -16.186 -32.179 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.173 -14.415 -29.303 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.545 -15.148 -30.783 1.00 0.00 H new ATOM 1359 N VAL A 87 -11.278 -14.526 -31.812 1.00 0.00 N ATOM 1360 CA VAL A 87 -12.512 -15.297 -32.079 1.00 0.00 C ATOM 1361 C VAL A 87 -13.537 -14.506 -32.900 1.00 0.00 C ATOM 1362 O VAL A 87 -14.201 -15.088 -33.760 1.00 0.00 O ATOM 1363 CB VAL A 87 -13.129 -15.824 -30.762 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -14.356 -16.714 -31.002 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -12.115 -16.670 -29.974 1.00 0.00 C ATOM 0 H VAL A 87 -11.368 -13.877 -31.030 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.225 -16.153 -32.689 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.421 -14.934 -30.204 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.750 -17.057 -30.045 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.122 -16.143 -31.526 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -14.069 -17.575 -31.605 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.576 -17.027 -29.053 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.805 -17.522 -30.578 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.244 -16.061 -29.731 1.00 0.00 H new ATOM 1375 N HIS A 88 -13.662 -13.194 -32.670 1.00 0.00 N ATOM 1376 CA HIS A 88 -14.712 -12.359 -33.279 1.00 0.00 C ATOM 1377 C HIS A 88 -14.168 -11.349 -34.308 1.00 0.00 C ATOM 1378 O HIS A 88 -14.820 -11.098 -35.326 1.00 0.00 O ATOM 1379 CB HIS A 88 -15.527 -11.696 -32.160 1.00 0.00 C ATOM 1380 CG HIS A 88 -16.117 -12.703 -31.198 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -17.042 -13.678 -31.496 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -15.813 -12.837 -29.872 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -17.300 -14.377 -30.380 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -16.575 -13.899 -29.342 1.00 0.00 N ATOM 0 H HIS A 88 -13.036 -12.676 -32.053 1.00 0.00 H new ATOM 0 HA HIS A 88 -15.371 -13.001 -33.864 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -14.888 -11.005 -31.610 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -16.330 -11.106 -32.601 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -15.108 -12.231 -29.322 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -17.990 -15.206 -30.319 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -16.579 -14.236 -28.379 1.00 0.00 H new