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 67 CYS SG : rot 141:sc= 2.3 USER MOD Set 1.2: A 70 CYS SG : rot -44:sc= 1.31 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.845 K(o=4.9,f=-2.6) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.444 K(o=4.9,f=-2.4) USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.157 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.163 X(o=0.32,f=0) USER MOD Set 3.1: A 40 CYS SG : rot 122:sc= 2.28 USER MOD Set 3.2: A 43 CYS SG : rot -40:sc= 1.19 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.254 K(o=4.1,f=-1.7) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.416 K(o=4.1,f=-1.8) USER MOD Set 4.1: A 42 GLN : amide:sc= 0.493 K(o=0.93,f=-1!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= 0.433 K(o=0.93,f=-4!) USER MOD Set 5.1: A 12 CYS SG : rot 110:sc= 1.82 USER MOD Set 5.2: A 15 CYS SG : rot -40:sc= 2.34 USER MOD Set 5.3: A 17 LYS NZ :NH3+ 160:sc= 1.37 (180deg=-0.258) USER MOD Set 5.4: A 28 HIS : no HD1:sc= 0.261 K(o=5.8,f=2.4) USER MOD Set 6.1: A 23 HIS : no HD1:sc=-0.00317 X(o=-0.0032,f=-0.039) USER MOD Set 6.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0913 K(o=-0.091,f=-0.88) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.44) 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 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 131:sc= 0.0608 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 111:sc= 0.221 USER MOD Single : A 76 SER OG : rot -163:sc= 0.901 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 7.171 15.656 -12.533 1.00 0.00 N ATOM 110 CA PHE A 10 7.616 14.662 -11.553 1.00 0.00 C ATOM 111 C PHE A 10 8.822 13.880 -12.098 1.00 0.00 C ATOM 112 O PHE A 10 8.808 13.455 -13.253 1.00 0.00 O ATOM 113 CB PHE A 10 6.428 13.742 -11.219 1.00 0.00 C ATOM 114 CG PHE A 10 5.211 14.466 -10.669 1.00 0.00 C ATOM 115 CD1 PHE A 10 4.255 15.016 -11.545 1.00 0.00 C ATOM 116 CD2 PHE A 10 5.045 14.610 -9.277 1.00 0.00 C ATOM 117 CE1 PHE A 10 3.141 15.708 -11.036 1.00 0.00 C ATOM 118 CE2 PHE A 10 3.926 15.296 -8.769 1.00 0.00 C ATOM 119 CZ PHE A 10 2.974 15.842 -9.648 1.00 0.00 C ATOM 0 HA PHE A 10 7.947 15.149 -10.636 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.138 13.201 -12.120 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.753 12.998 -10.492 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.378 14.906 -12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.776 14.194 -8.600 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.415 16.136 -11.712 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.798 15.403 -7.702 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.114 16.365 -9.256 1.00 0.00 H new ATOM 129 N THR A 11 9.867 13.675 -11.289 1.00 0.00 N ATOM 130 CA THR A 11 11.162 13.142 -11.755 1.00 0.00 C ATOM 131 C THR A 11 11.669 11.998 -10.871 1.00 0.00 C ATOM 132 O THR A 11 11.657 12.105 -9.642 1.00 0.00 O ATOM 133 CB THR A 11 12.203 14.276 -11.823 1.00 0.00 C ATOM 134 OG1 THR A 11 11.701 15.363 -12.579 1.00 0.00 O ATOM 135 CG2 THR A 11 13.505 13.850 -12.494 1.00 0.00 C ATOM 0 H THR A 11 9.843 13.873 -10.289 1.00 0.00 H new ATOM 0 HA THR A 11 11.010 12.730 -12.753 1.00 0.00 H new ATOM 0 HB THR A 11 12.400 14.552 -10.787 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.372 16.076 -12.612 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.198 14.692 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.949 13.026 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.300 13.528 -13.515 1.00 0.00 H new ATOM 143 N CYS A 12 12.145 10.917 -11.497 1.00 0.00 N ATOM 144 CA CYS A 12 12.758 9.765 -10.835 1.00 0.00 C ATOM 145 C CYS A 12 14.162 10.108 -10.300 1.00 0.00 C ATOM 146 O CYS A 12 15.019 10.610 -11.030 1.00 0.00 O ATOM 147 CB CYS A 12 12.773 8.600 -11.832 1.00 0.00 C ATOM 148 SG CYS A 12 13.523 7.134 -11.069 1.00 0.00 S ATOM 0 H CYS A 12 12.112 10.818 -12.512 1.00 0.00 H new ATOM 0 HA CYS A 12 12.177 9.475 -9.960 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.756 8.373 -12.152 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.333 8.882 -12.724 1.00 0.00 H new ATOM 0 HG CYS A 12 12.607 6.235 -10.864 1.00 0.00 H new ATOM 153 N GLU A 13 14.409 9.808 -9.025 1.00 0.00 N ATOM 154 CA GLU A 13 15.712 10.018 -8.376 1.00 0.00 C ATOM 155 C GLU A 13 16.733 8.896 -8.659 1.00 0.00 C ATOM 156 O GLU A 13 17.910 9.035 -8.313 1.00 0.00 O ATOM 157 CB GLU A 13 15.514 10.263 -6.869 1.00 0.00 C ATOM 158 CG GLU A 13 15.014 9.036 -6.092 1.00 0.00 C ATOM 159 CD GLU A 13 14.809 9.380 -4.604 1.00 0.00 C ATOM 160 OE1 GLU A 13 15.796 9.366 -3.827 1.00 0.00 O ATOM 161 OE2 GLU A 13 13.659 9.679 -4.198 1.00 0.00 O ATOM 0 H GLU A 13 13.706 9.408 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 13 16.155 10.909 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.460 10.591 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.803 11.078 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.076 8.685 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.733 8.222 -6.187 1.00 0.00 H new ATOM 168 N TYR A 14 16.304 7.797 -9.294 1.00 0.00 N ATOM 169 CA TYR A 14 17.127 6.604 -9.539 1.00 0.00 C ATOM 170 C TYR A 14 17.612 6.469 -10.995 1.00 0.00 C ATOM 171 O TYR A 14 18.703 5.939 -11.215 1.00 0.00 O ATOM 172 CB TYR A 14 16.339 5.357 -9.124 1.00 0.00 C ATOM 173 CG TYR A 14 15.933 5.293 -7.663 1.00 0.00 C ATOM 174 CD1 TYR A 14 16.848 4.822 -6.700 1.00 0.00 C ATOM 175 CD2 TYR A 14 14.635 5.673 -7.271 1.00 0.00 C ATOM 176 CE1 TYR A 14 16.467 4.731 -5.347 1.00 0.00 C ATOM 177 CE2 TYR A 14 14.248 5.581 -5.918 1.00 0.00 C ATOM 178 CZ TYR A 14 15.165 5.110 -4.953 1.00 0.00 C ATOM 179 OH TYR A 14 14.802 5.013 -3.644 1.00 0.00 O ATOM 0 H TYR A 14 15.356 7.710 -9.659 1.00 0.00 H new ATOM 0 HA TYR A 14 18.029 6.711 -8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.439 5.298 -9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.939 4.477 -9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.844 4.530 -7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.934 6.036 -8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.171 4.371 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.251 5.871 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 14 13.875 5.314 -3.538 1.00 0.00 H new ATOM 189 N CYS A 15 16.830 6.946 -11.978 1.00 0.00 N ATOM 190 CA CYS A 15 17.168 6.896 -13.412 1.00 0.00 C ATOM 191 C CYS A 15 16.941 8.217 -14.190 1.00 0.00 C ATOM 192 O CYS A 15 17.095 8.254 -15.415 1.00 0.00 O ATOM 193 CB CYS A 15 16.513 5.664 -14.060 1.00 0.00 C ATOM 194 SG CYS A 15 14.715 5.790 -14.142 1.00 0.00 S ATOM 0 H CYS A 15 15.928 7.386 -11.795 1.00 0.00 H new ATOM 0 HA CYS A 15 18.250 6.781 -13.479 1.00 0.00 H new ATOM 0 HB2 CYS A 15 16.910 5.535 -15.067 1.00 0.00 H new ATOM 0 HB3 CYS A 15 16.785 4.773 -13.493 1.00 0.00 H new ATOM 0 HG CYS A 15 14.266 6.318 -13.042 1.00 0.00 H new ATOM 199 N ASN A 16 16.623 9.314 -13.488 1.00 0.00 N ATOM 200 CA ASN A 16 16.451 10.676 -14.023 1.00 0.00 C ATOM 201 C ASN A 16 15.373 10.829 -15.127 1.00 0.00 C ATOM 202 O ASN A 16 15.379 11.803 -15.888 1.00 0.00 O ATOM 203 CB ASN A 16 17.834 11.260 -14.384 1.00 0.00 C ATOM 204 CG ASN A 16 17.858 12.781 -14.488 1.00 0.00 C ATOM 205 OD1 ASN A 16 17.098 13.501 -13.855 1.00 0.00 O ATOM 206 ND2 ASN A 16 18.773 13.328 -15.260 1.00 0.00 N ATOM 0 H ASN A 16 16.471 9.275 -12.480 1.00 0.00 H new ATOM 0 HA ASN A 16 16.019 11.286 -13.229 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.557 10.946 -13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.159 10.836 -15.334 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.844 14.343 -15.326 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.411 12.737 -15.792 1.00 0.00 H new ATOM 213 N LYS A 17 14.430 9.881 -15.222 1.00 0.00 N ATOM 214 CA LYS A 17 13.240 9.969 -16.085 1.00 0.00 C ATOM 215 C LYS A 17 12.248 11.013 -15.576 1.00 0.00 C ATOM 216 O LYS A 17 12.133 11.237 -14.370 1.00 0.00 O ATOM 217 CB LYS A 17 12.551 8.603 -16.183 1.00 0.00 C ATOM 218 CG LYS A 17 13.326 7.627 -17.070 1.00 0.00 C ATOM 219 CD LYS A 17 12.618 6.265 -17.033 1.00 0.00 C ATOM 220 CE LYS A 17 13.404 5.137 -17.706 1.00 0.00 C ATOM 221 NZ LYS A 17 14.763 4.970 -17.121 1.00 0.00 N ATOM 0 H LYS A 17 14.473 9.012 -14.690 1.00 0.00 H new ATOM 0 HA LYS A 17 13.576 10.278 -17.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.446 8.179 -15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.545 8.733 -16.582 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.374 8.001 -18.093 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.353 7.529 -16.718 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.429 5.993 -15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.647 6.358 -17.520 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.851 4.203 -17.608 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.493 5.345 -18.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.124 4.021 -17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.402 5.688 -17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.713 5.084 -16.088 1.00 0.00 H new ATOM 235 N VAL A 18 11.508 11.608 -16.505 1.00 0.00 N ATOM 236 CA VAL A 18 10.538 12.690 -16.255 1.00 0.00 C ATOM 237 C VAL A 18 9.125 12.256 -16.666 1.00 0.00 C ATOM 238 O VAL A 18 8.929 11.661 -17.728 1.00 0.00 O ATOM 239 CB VAL A 18 10.966 13.990 -16.968 1.00 0.00 C ATOM 240 CG1 VAL A 18 10.021 15.147 -16.636 1.00 0.00 C ATOM 241 CG2 VAL A 18 12.376 14.433 -16.546 1.00 0.00 C ATOM 0 H VAL A 18 11.562 11.348 -17.490 1.00 0.00 H new ATOM 0 HA VAL A 18 10.521 12.897 -15.185 1.00 0.00 H new ATOM 0 HB VAL A 18 10.941 13.764 -18.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.352 16.047 -17.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.010 14.894 -16.956 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.027 15.325 -15.561 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.641 15.352 -17.070 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.395 14.610 -15.471 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.093 13.652 -16.798 1.00 0.00 H new ATOM 251 N PHE A 19 8.142 12.569 -15.820 1.00 0.00 N ATOM 252 CA PHE A 19 6.737 12.165 -15.919 1.00 0.00 C ATOM 253 C PHE A 19 5.803 13.370 -15.700 1.00 0.00 C ATOM 254 O PHE A 19 6.097 14.271 -14.907 1.00 0.00 O ATOM 255 CB PHE A 19 6.455 11.048 -14.894 1.00 0.00 C ATOM 256 CG PHE A 19 7.351 9.824 -15.028 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.000 8.774 -15.897 1.00 0.00 C ATOM 258 CD2 PHE A 19 8.562 9.753 -14.311 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.865 7.677 -16.070 1.00 0.00 C ATOM 260 CE2 PHE A 19 9.425 8.656 -14.482 1.00 0.00 C ATOM 261 CZ PHE A 19 9.086 7.622 -15.373 1.00 0.00 C ATOM 0 H PHE A 19 8.315 13.146 -14.997 1.00 0.00 H new ATOM 0 HA PHE A 19 6.543 11.783 -16.921 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.569 11.457 -13.890 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.416 10.734 -14.995 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.063 8.810 -16.433 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.829 10.545 -13.627 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.591 6.875 -16.740 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.351 8.607 -13.928 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.759 6.791 -15.521 1.00 0.00 H new ATOM 271 N LYS A 20 4.654 13.380 -16.389 1.00 0.00 N ATOM 272 CA LYS A 20 3.673 14.487 -16.349 1.00 0.00 C ATOM 273 C LYS A 20 2.713 14.437 -15.151 1.00 0.00 C ATOM 274 O LYS A 20 2.026 15.424 -14.885 1.00 0.00 O ATOM 275 CB LYS A 20 2.896 14.537 -17.676 1.00 0.00 C ATOM 276 CG LYS A 20 3.801 14.973 -18.842 1.00 0.00 C ATOM 277 CD LYS A 20 3.057 15.033 -20.182 1.00 0.00 C ATOM 278 CE LYS A 20 1.975 16.123 -20.208 1.00 0.00 C ATOM 279 NZ LYS A 20 1.325 16.217 -21.541 1.00 0.00 N ATOM 0 H LYS A 20 4.371 12.613 -16.999 1.00 0.00 H new ATOM 0 HA LYS A 20 4.246 15.405 -16.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.474 13.555 -17.889 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.060 15.230 -17.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.223 15.954 -18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.637 14.278 -18.927 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.773 15.218 -20.983 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.597 14.065 -20.382 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.222 15.907 -19.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.420 17.084 -19.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.600 16.963 -21.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.040 16.447 -22.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.879 15.307 -21.775 1.00 0.00 H new ATOM 293 N PHE A 21 2.657 13.311 -14.435 1.00 0.00 N ATOM 294 CA PHE A 21 1.707 13.062 -13.340 1.00 0.00 C ATOM 295 C PHE A 21 2.345 12.280 -12.181 1.00 0.00 C ATOM 296 O PHE A 21 3.236 11.449 -12.387 1.00 0.00 O ATOM 297 CB PHE A 21 0.483 12.305 -13.881 1.00 0.00 C ATOM 298 CG PHE A 21 -0.206 12.955 -15.069 1.00 0.00 C ATOM 299 CD1 PHE A 21 -1.050 14.066 -14.877 1.00 0.00 C ATOM 300 CD2 PHE A 21 0.013 12.465 -16.372 1.00 0.00 C ATOM 301 CE1 PHE A 21 -1.668 14.685 -15.980 1.00 0.00 C ATOM 302 CE2 PHE A 21 -0.602 13.084 -17.475 1.00 0.00 C ATOM 303 CZ PHE A 21 -1.441 14.195 -17.280 1.00 0.00 C ATOM 0 H PHE A 21 3.286 12.525 -14.603 1.00 0.00 H new ATOM 0 HA PHE A 21 1.399 14.029 -12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.794 11.300 -14.167 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.243 12.197 -13.075 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.224 14.444 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.656 11.611 -16.524 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.316 15.536 -15.829 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.430 12.706 -18.472 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.911 14.672 -18.127 1.00 0.00 H new ATOM 313 N LYS A 22 1.842 12.506 -10.960 1.00 0.00 N ATOM 314 CA LYS A 22 2.351 11.884 -9.724 1.00 0.00 C ATOM 315 C LYS A 22 2.178 10.363 -9.720 1.00 0.00 C ATOM 316 O LYS A 22 3.107 9.638 -9.371 1.00 0.00 O ATOM 317 CB LYS A 22 1.649 12.539 -8.520 1.00 0.00 C ATOM 318 CG LYS A 22 2.367 12.242 -7.194 1.00 0.00 C ATOM 319 CD LYS A 22 1.685 12.986 -6.036 1.00 0.00 C ATOM 320 CE LYS A 22 2.452 12.753 -4.730 1.00 0.00 C ATOM 321 NZ LYS A 22 1.806 13.448 -3.584 1.00 0.00 N ATOM 0 H LYS A 22 1.057 13.136 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 22 3.425 12.056 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.603 13.617 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.621 12.181 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.358 11.169 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.412 12.544 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.642 14.053 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.657 12.641 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.505 11.684 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.477 13.108 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.352 13.269 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.778 14.471 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.837 13.091 -3.463 1.00 0.00 H new ATOM 335 N HIS A 23 1.018 9.876 -10.169 1.00 0.00 N ATOM 336 CA HIS A 23 0.726 8.440 -10.259 1.00 0.00 C ATOM 337 C HIS A 23 1.639 7.718 -11.265 1.00 0.00 C ATOM 338 O HIS A 23 2.056 6.590 -11.008 1.00 0.00 O ATOM 339 CB HIS A 23 -0.761 8.216 -10.579 1.00 0.00 C ATOM 340 CG HIS A 23 -1.199 8.712 -11.937 1.00 0.00 C ATOM 341 ND1 HIS A 23 -1.117 8.023 -13.129 1.00 0.00 N ATOM 342 CD2 HIS A 23 -1.757 9.930 -12.218 1.00 0.00 C ATOM 343 CE1 HIS A 23 -1.600 8.811 -14.104 1.00 0.00 C ATOM 344 NE2 HIS A 23 -2.014 9.984 -13.594 1.00 0.00 N ATOM 0 H HIS A 23 0.250 10.469 -10.482 1.00 0.00 H new ATOM 0 HA HIS A 23 0.939 7.998 -9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.976 7.150 -10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.361 8.712 -9.816 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.963 10.713 -11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.649 8.541 -15.148 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.432 10.760 -14.107 1.00 0.00 H new ATOM 352 N SER A 24 2.013 8.377 -12.368 1.00 0.00 N ATOM 353 CA SER A 24 2.947 7.825 -13.362 1.00 0.00 C ATOM 354 C SER A 24 4.349 7.612 -12.779 1.00 0.00 C ATOM 355 O SER A 24 4.936 6.548 -12.981 1.00 0.00 O ATOM 356 CB SER A 24 3.025 8.722 -14.602 1.00 0.00 C ATOM 357 OG SER A 24 1.745 8.841 -15.201 1.00 0.00 O ATOM 0 H SER A 24 1.676 9.312 -12.599 1.00 0.00 H new ATOM 0 HA SER A 24 2.555 6.851 -13.654 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.398 9.708 -14.324 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.732 8.304 -15.318 1.00 0.00 H new ATOM 0 HG SER A 24 1.806 9.417 -15.991 1.00 0.00 H new ATOM 363 N LEU A 25 4.859 8.565 -11.985 1.00 0.00 N ATOM 364 CA LEU A 25 6.115 8.378 -11.245 1.00 0.00 C ATOM 365 C LEU A 25 5.977 7.306 -10.150 1.00 0.00 C ATOM 366 O LEU A 25 6.832 6.431 -10.053 1.00 0.00 O ATOM 367 CB LEU A 25 6.604 9.727 -10.678 1.00 0.00 C ATOM 368 CG LEU A 25 7.876 9.600 -9.809 1.00 0.00 C ATOM 369 CD1 LEU A 25 9.076 9.048 -10.580 1.00 0.00 C ATOM 370 CD2 LEU A 25 8.279 10.958 -9.244 1.00 0.00 C ATOM 0 H LEU A 25 4.420 9.474 -11.839 1.00 0.00 H new ATOM 0 HA LEU A 25 6.871 8.011 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.803 10.410 -11.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.808 10.173 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 25 7.618 8.901 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.937 8.983 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.837 8.056 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.310 9.711 -11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.176 10.847 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.479 11.648 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.470 11.351 -8.629 1.00 0.00 H new ATOM 382 N GLN A 26 4.905 7.317 -9.353 1.00 0.00 N ATOM 383 CA GLN A 26 4.693 6.317 -8.292 1.00 0.00 C ATOM 384 C GLN A 26 4.616 4.880 -8.836 1.00 0.00 C ATOM 385 O GLN A 26 5.186 3.961 -8.244 1.00 0.00 O ATOM 386 CB GLN A 26 3.420 6.663 -7.503 1.00 0.00 C ATOM 387 CG GLN A 26 3.620 7.847 -6.536 1.00 0.00 C ATOM 388 CD GLN A 26 4.563 7.557 -5.364 1.00 0.00 C ATOM 389 OE1 GLN A 26 4.891 6.423 -5.034 1.00 0.00 O ATOM 390 NE2 GLN A 26 5.036 8.575 -4.677 1.00 0.00 N ATOM 0 H GLN A 26 4.162 8.012 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 26 5.559 6.353 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.619 6.902 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.099 5.788 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.009 8.697 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.649 8.144 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.777 9.528 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.662 8.411 -3.888 1.00 0.00 H new ATOM 399 N ALA A 27 3.979 4.681 -9.991 1.00 0.00 N ATOM 400 CA ALA A 27 3.911 3.383 -10.657 1.00 0.00 C ATOM 401 C ALA A 27 5.237 2.974 -11.328 1.00 0.00 C ATOM 402 O ALA A 27 5.532 1.778 -11.418 1.00 0.00 O ATOM 403 CB ALA A 27 2.757 3.418 -11.654 1.00 0.00 C ATOM 0 H ALA A 27 3.492 5.424 -10.493 1.00 0.00 H new ATOM 0 HA ALA A 27 3.732 2.615 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.687 2.457 -12.164 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.825 3.616 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.933 4.206 -12.387 1.00 0.00 H new ATOM 409 N HIS A 28 6.060 3.942 -11.747 1.00 0.00 N ATOM 410 CA HIS A 28 7.428 3.709 -12.218 1.00 0.00 C ATOM 411 C HIS A 28 8.375 3.307 -11.071 1.00 0.00 C ATOM 412 O HIS A 28 9.146 2.357 -11.213 1.00 0.00 O ATOM 413 CB HIS A 28 7.929 4.963 -12.954 1.00 0.00 C ATOM 414 CG HIS A 28 9.400 4.901 -13.263 1.00 0.00 C ATOM 415 ND1 HIS A 28 9.993 4.100 -14.208 1.00 0.00 N ATOM 416 CD2 HIS A 28 10.399 5.540 -12.582 1.00 0.00 C ATOM 417 CE1 HIS A 28 11.321 4.243 -14.102 1.00 0.00 C ATOM 418 NE2 HIS A 28 11.633 5.116 -13.114 1.00 0.00 N ATOM 0 H HIS A 28 5.789 4.925 -11.768 1.00 0.00 H new ATOM 0 HA HIS A 28 7.420 2.867 -12.911 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.371 5.083 -13.883 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.726 5.843 -12.344 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.265 6.247 -11.776 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.044 3.732 -14.720 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.565 5.405 -12.818 1.00 0.00 H new ATOM 426 N LEU A 29 8.295 3.977 -9.913 1.00 0.00 N ATOM 427 CA LEU A 29 9.163 3.738 -8.746 1.00 0.00 C ATOM 428 C LEU A 29 9.103 2.293 -8.212 1.00 0.00 C ATOM 429 O LEU A 29 10.070 1.841 -7.596 1.00 0.00 O ATOM 430 CB LEU A 29 8.822 4.755 -7.636 1.00 0.00 C ATOM 431 CG LEU A 29 9.346 6.184 -7.886 1.00 0.00 C ATOM 432 CD1 LEU A 29 8.741 7.143 -6.860 1.00 0.00 C ATOM 433 CD2 LEU A 29 10.869 6.277 -7.765 1.00 0.00 C ATOM 0 H LEU A 29 7.611 4.717 -9.756 1.00 0.00 H new ATOM 0 HA LEU A 29 10.192 3.879 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.739 4.795 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.231 4.393 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 29 9.057 6.450 -8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.114 8.151 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.655 7.136 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.022 6.826 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.187 7.303 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.173 5.978 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.333 5.616 -8.497 1.00 0.00 H new ATOM 445 N ARG A 30 8.039 1.535 -8.528 1.00 0.00 N ATOM 446 CA ARG A 30 7.912 0.087 -8.262 1.00 0.00 C ATOM 447 C ARG A 30 9.118 -0.750 -8.713 1.00 0.00 C ATOM 448 O ARG A 30 9.380 -1.783 -8.096 1.00 0.00 O ATOM 449 CB ARG A 30 6.648 -0.438 -8.968 1.00 0.00 C ATOM 450 CG ARG A 30 5.345 -0.023 -8.264 1.00 0.00 C ATOM 451 CD ARG A 30 4.075 -0.239 -9.107 1.00 0.00 C ATOM 452 NE ARG A 30 3.989 -1.575 -9.733 1.00 0.00 N ATOM 453 CZ ARG A 30 4.303 -1.894 -10.978 1.00 0.00 C ATOM 454 NH1 ARG A 30 4.829 -1.046 -11.820 1.00 0.00 N ATOM 455 NH2 ARG A 30 4.084 -3.101 -11.406 1.00 0.00 N ATOM 0 H ARG A 30 7.217 1.923 -8.990 1.00 0.00 H new ATOM 0 HA ARG A 30 7.853 -0.022 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.633 -0.069 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.694 -1.526 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.251 -0.587 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.412 1.030 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.201 -0.089 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.036 0.520 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 30 3.651 -2.334 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.016 -0.087 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.053 -1.343 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.672 -3.796 -10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.324 -3.353 -12.365 1.00 0.00 H new ATOM 469 N ILE A 31 9.864 -0.335 -9.745 1.00 0.00 N ATOM 470 CA ILE A 31 11.047 -1.071 -10.231 1.00 0.00 C ATOM 471 C ILE A 31 12.312 -0.835 -9.384 1.00 0.00 C ATOM 472 O ILE A 31 13.207 -1.679 -9.359 1.00 0.00 O ATOM 473 CB ILE A 31 11.312 -0.797 -11.724 1.00 0.00 C ATOM 474 CG1 ILE A 31 11.994 0.562 -12.001 1.00 0.00 C ATOM 475 CG2 ILE A 31 10.029 -1.013 -12.553 1.00 0.00 C ATOM 476 CD1 ILE A 31 12.273 0.806 -13.486 1.00 0.00 C ATOM 0 H ILE A 31 9.668 0.518 -10.268 1.00 0.00 H new ATOM 0 HA ILE A 31 10.803 -2.127 -10.117 1.00 0.00 H new ATOM 0 HB ILE A 31 12.047 -1.531 -12.054 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.360 1.363 -11.621 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.933 0.609 -11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.237 -0.814 -13.604 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.691 -2.043 -12.438 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.251 -0.335 -12.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.752 1.777 -13.611 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.931 0.025 -13.866 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.334 0.791 -14.040 1.00 0.00 H new ATOM 570 N PRO A 37 10.214 -10.550 -7.856 1.00 0.00 N ATOM 571 CA PRO A 37 10.106 -11.645 -8.829 1.00 0.00 C ATOM 572 C PRO A 37 8.702 -12.243 -8.967 1.00 0.00 C ATOM 573 O PRO A 37 8.303 -12.643 -10.063 1.00 0.00 O ATOM 574 CB PRO A 37 11.089 -12.715 -8.342 1.00 0.00 C ATOM 575 CG PRO A 37 11.296 -12.414 -6.858 1.00 0.00 C ATOM 576 CD PRO A 37 11.155 -10.897 -6.801 1.00 0.00 C ATOM 0 HA PRO A 37 10.331 -11.262 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.687 -13.717 -8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.030 -12.666 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.553 -12.913 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.275 -12.743 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.788 -10.574 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.117 -10.408 -6.957 1.00 0.00 H new ATOM 584 N TYR A 38 7.948 -12.310 -7.869 1.00 0.00 N ATOM 585 CA TYR A 38 6.630 -12.944 -7.822 1.00 0.00 C ATOM 586 C TYR A 38 5.528 -11.945 -8.210 1.00 0.00 C ATOM 587 O TYR A 38 4.946 -11.265 -7.363 1.00 0.00 O ATOM 588 CB TYR A 38 6.425 -13.613 -6.454 1.00 0.00 C ATOM 589 CG TYR A 38 7.390 -14.757 -6.211 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.219 -15.979 -6.888 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.487 -14.579 -5.352 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.152 -17.019 -6.709 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.415 -15.619 -5.156 1.00 0.00 C ATOM 594 CZ TYR A 38 9.251 -16.844 -5.840 1.00 0.00 C ATOM 595 OH TYR A 38 10.140 -17.859 -5.664 1.00 0.00 O ATOM 0 H TYR A 38 8.241 -11.919 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 38 6.568 -13.739 -8.565 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.546 -12.868 -5.668 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.403 -13.985 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.373 -16.119 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.619 -13.638 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.026 -17.952 -7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.250 -15.481 -4.485 1.00 0.00 H new ATOM 0 HH TYR A 38 10.838 -17.578 -5.036 1.00 0.00 H new ATOM 605 N LYS A 39 5.269 -11.837 -9.515 1.00 0.00 N ATOM 606 CA LYS A 39 4.324 -10.885 -10.129 1.00 0.00 C ATOM 607 C LYS A 39 2.917 -11.474 -10.274 1.00 0.00 C ATOM 608 O LYS A 39 2.759 -12.649 -10.615 1.00 0.00 O ATOM 609 CB LYS A 39 4.874 -10.417 -11.486 1.00 0.00 C ATOM 610 CG LYS A 39 6.140 -9.564 -11.312 1.00 0.00 C ATOM 611 CD LYS A 39 6.847 -9.315 -12.647 1.00 0.00 C ATOM 612 CE LYS A 39 8.124 -8.501 -12.403 1.00 0.00 C ATOM 613 NZ LYS A 39 8.878 -8.273 -13.664 1.00 0.00 N ATOM 0 H LYS A 39 5.727 -12.432 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 39 4.229 -10.026 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.100 -11.284 -12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.113 -9.839 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.875 -8.609 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.824 -10.064 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.093 -10.264 -13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.185 -8.779 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.864 -7.542 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.759 -9.025 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.735 -7.720 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.147 -9.188 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.280 -7.751 -14.336 1.00 0.00 H new ATOM 627 N CYS A 40 1.904 -10.634 -10.072 1.00 0.00 N ATOM 628 CA CYS A 40 0.502 -10.956 -10.331 1.00 0.00 C ATOM 629 C CYS A 40 0.226 -10.988 -11.855 1.00 0.00 C ATOM 630 O CYS A 40 0.635 -10.065 -12.570 1.00 0.00 O ATOM 631 CB CYS A 40 -0.360 -9.925 -9.596 1.00 0.00 C ATOM 632 SG CYS A 40 -2.129 -10.308 -9.729 1.00 0.00 S ATOM 0 H CYS A 40 2.038 -9.688 -9.715 1.00 0.00 H new ATOM 0 HA CYS A 40 0.253 -11.950 -9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.073 -9.894 -8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.171 -8.934 -10.007 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.633 -10.451 -8.539 1.00 0.00 H new ATOM 637 N PRO A 41 -0.469 -12.017 -12.377 1.00 0.00 N ATOM 638 CA PRO A 41 -0.938 -12.044 -13.759 1.00 0.00 C ATOM 639 C PRO A 41 -2.209 -11.196 -13.971 1.00 0.00 C ATOM 640 O PRO A 41 -2.625 -11.012 -15.117 1.00 0.00 O ATOM 641 CB PRO A 41 -1.176 -13.529 -14.052 1.00 0.00 C ATOM 642 CG PRO A 41 -1.612 -14.093 -12.702 1.00 0.00 C ATOM 643 CD PRO A 41 -0.848 -13.241 -11.689 1.00 0.00 C ATOM 0 HA PRO A 41 -0.212 -11.602 -14.441 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.944 -13.670 -14.813 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.272 -14.016 -14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.690 -14.010 -12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.359 -15.149 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.469 -13.021 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.033 -13.769 -11.325 1.00 0.00 H new ATOM 651 N GLN A 42 -2.838 -10.693 -12.896 1.00 0.00 N ATOM 652 CA GLN A 42 -4.150 -10.032 -12.945 1.00 0.00 C ATOM 653 C GLN A 42 -4.142 -8.531 -12.601 1.00 0.00 C ATOM 654 O GLN A 42 -5.066 -7.832 -13.026 1.00 0.00 O ATOM 655 CB GLN A 42 -5.160 -10.808 -12.080 1.00 0.00 C ATOM 656 CG GLN A 42 -5.342 -12.260 -12.553 1.00 0.00 C ATOM 657 CD GLN A 42 -6.732 -12.829 -12.272 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.596 -12.904 -13.140 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.995 -13.277 -11.066 1.00 0.00 N ATOM 0 H GLN A 42 -2.443 -10.735 -11.957 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.459 -10.059 -13.990 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.824 -10.806 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.123 -10.297 -12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.148 -12.310 -13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.597 -12.888 -12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.286 -13.221 -10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.909 -13.681 -10.860 1.00 0.00 H new ATOM 668 N CYS A 43 -3.131 -8.019 -11.886 1.00 0.00 N ATOM 669 CA CYS A 43 -2.933 -6.581 -11.661 1.00 0.00 C ATOM 670 C CYS A 43 -1.435 -6.186 -11.630 1.00 0.00 C ATOM 671 O CYS A 43 -0.554 -6.985 -11.957 1.00 0.00 O ATOM 672 CB CYS A 43 -3.710 -6.176 -10.397 1.00 0.00 C ATOM 673 SG CYS A 43 -2.995 -6.929 -8.922 1.00 0.00 S ATOM 0 H CYS A 43 -2.419 -8.599 -11.442 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.333 -6.017 -12.504 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.703 -5.091 -10.295 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.752 -6.480 -10.495 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.649 -8.154 -9.184 1.00 0.00 H new ATOM 678 N SER A 44 -1.141 -4.935 -11.263 1.00 0.00 N ATOM 679 CA SER A 44 0.220 -4.372 -11.172 1.00 0.00 C ATOM 680 C SER A 44 1.032 -4.855 -9.955 1.00 0.00 C ATOM 681 O SER A 44 2.198 -4.474 -9.800 1.00 0.00 O ATOM 682 CB SER A 44 0.137 -2.839 -11.194 1.00 0.00 C ATOM 683 OG SER A 44 -0.668 -2.365 -10.124 1.00 0.00 O ATOM 0 H SER A 44 -1.863 -4.260 -11.012 1.00 0.00 H new ATOM 0 HA SER A 44 0.766 -4.741 -12.040 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.138 -2.414 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.280 -2.506 -12.145 1.00 0.00 H new ATOM 0 HG SER A 44 -0.708 -1.386 -10.153 1.00 0.00 H new ATOM 689 N TYR A 45 0.446 -5.692 -9.093 1.00 0.00 N ATOM 690 CA TYR A 45 1.067 -6.249 -7.895 1.00 0.00 C ATOM 691 C TYR A 45 2.299 -7.120 -8.188 1.00 0.00 C ATOM 692 O TYR A 45 2.322 -7.917 -9.130 1.00 0.00 O ATOM 693 CB TYR A 45 0.010 -7.066 -7.142 1.00 0.00 C ATOM 694 CG TYR A 45 0.515 -7.710 -5.860 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.123 -8.984 -5.882 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.407 -7.008 -4.644 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.615 -9.553 -4.691 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.894 -7.576 -3.453 1.00 0.00 C ATOM 699 CZ TYR A 45 1.497 -8.851 -3.474 1.00 0.00 C ATOM 700 OH TYR A 45 1.968 -9.399 -2.322 1.00 0.00 O ATOM 0 H TYR A 45 -0.515 -6.011 -9.220 1.00 0.00 H new ATOM 0 HA TYR A 45 1.430 -5.417 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.832 -6.416 -6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.368 -7.846 -7.803 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.211 -9.523 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.051 -6.030 -4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.082 -10.526 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.806 -7.036 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 45 1.807 -8.783 -1.577 1.00 0.00 H new ATOM 710 N ALA A 46 3.309 -7.002 -7.325 1.00 0.00 N ATOM 711 CA ALA A 46 4.470 -7.888 -7.275 1.00 0.00 C ATOM 712 C ALA A 46 5.033 -8.017 -5.844 1.00 0.00 C ATOM 713 O ALA A 46 4.927 -7.081 -5.046 1.00 0.00 O ATOM 714 CB ALA A 46 5.524 -7.372 -8.260 1.00 0.00 C ATOM 0 H ALA A 46 3.341 -6.265 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 46 4.168 -8.894 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.397 -8.024 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.108 -7.364 -9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.818 -6.360 -7.981 1.00 0.00 H new ATOM 720 N SER A 47 5.667 -9.151 -5.529 1.00 0.00 N ATOM 721 CA SER A 47 6.292 -9.434 -4.227 1.00 0.00 C ATOM 722 C SER A 47 7.618 -10.205 -4.346 1.00 0.00 C ATOM 723 O SER A 47 8.035 -10.616 -5.433 1.00 0.00 O ATOM 724 CB SER A 47 5.300 -10.199 -3.335 1.00 0.00 C ATOM 725 OG SER A 47 5.223 -11.558 -3.723 1.00 0.00 O ATOM 0 H SER A 47 5.764 -9.922 -6.190 1.00 0.00 H new ATOM 0 HA SER A 47 6.539 -8.475 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.613 -10.130 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.314 -9.740 -3.403 1.00 0.00 H new ATOM 0 HG SER A 47 5.311 -12.130 -2.932 1.00 0.00 H new ATOM 731 N ALA A 48 8.290 -10.405 -3.207 1.00 0.00 N ATOM 732 CA ALA A 48 9.512 -11.204 -3.075 1.00 0.00 C ATOM 733 C ALA A 48 9.283 -12.609 -2.464 1.00 0.00 C ATOM 734 O ALA A 48 10.251 -13.341 -2.245 1.00 0.00 O ATOM 735 CB ALA A 48 10.536 -10.371 -2.291 1.00 0.00 C ATOM 0 H ALA A 48 7.987 -10.001 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 48 9.896 -11.425 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.458 -10.941 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.745 -9.448 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.133 -10.132 -1.307 1.00 0.00 H new ATOM 741 N ILE A 49 8.027 -12.999 -2.192 1.00 0.00 N ATOM 742 CA ILE A 49 7.661 -14.278 -1.552 1.00 0.00 C ATOM 743 C ILE A 49 6.452 -14.913 -2.260 1.00 0.00 C ATOM 744 O ILE A 49 5.375 -14.316 -2.332 1.00 0.00 O ATOM 745 CB ILE A 49 7.388 -14.082 -0.037 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.570 -13.379 0.675 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.091 -15.442 0.633 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.400 -13.195 2.188 1.00 0.00 C ATOM 0 H ILE A 49 7.217 -12.421 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 49 8.504 -14.962 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 49 6.515 -13.436 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.478 -13.955 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.718 -12.400 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.901 -15.290 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.214 -15.893 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.948 -16.104 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.279 -12.694 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.514 -12.590 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.286 -14.170 2.663 1.00 0.00 H new ATOM 760 N LYS A 50 6.603 -16.165 -2.713 1.00 0.00 N ATOM 761 CA LYS A 50 5.577 -16.920 -3.461 1.00 0.00 C ATOM 762 C LYS A 50 4.293 -17.151 -2.656 1.00 0.00 C ATOM 763 O LYS A 50 3.192 -17.001 -3.182 1.00 0.00 O ATOM 764 CB LYS A 50 6.189 -18.254 -3.930 1.00 0.00 C ATOM 765 CG LYS A 50 5.328 -18.949 -4.995 1.00 0.00 C ATOM 766 CD LYS A 50 6.000 -20.238 -5.487 1.00 0.00 C ATOM 767 CE LYS A 50 5.133 -20.911 -6.558 1.00 0.00 C ATOM 768 NZ LYS A 50 5.752 -22.169 -7.053 1.00 0.00 N ATOM 0 H LYS A 50 7.461 -16.697 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 50 5.276 -16.322 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.185 -18.072 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.308 -18.917 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.347 -19.181 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.167 -18.274 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.985 -20.010 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.152 -20.920 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.147 -21.128 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.986 -20.225 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.139 -22.597 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.682 -21.958 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.869 -22.833 -6.261 1.00 0.00 H new ATOM 782 N ALA A 51 4.424 -17.446 -1.361 1.00 0.00 N ATOM 783 CA ALA A 51 3.291 -17.583 -0.443 1.00 0.00 C ATOM 784 C ALA A 51 2.508 -16.267 -0.271 1.00 0.00 C ATOM 785 O ALA A 51 1.279 -16.286 -0.173 1.00 0.00 O ATOM 786 CB ALA A 51 3.817 -18.108 0.900 1.00 0.00 C ATOM 0 H ALA A 51 5.329 -17.598 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 51 2.579 -18.292 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.987 -18.217 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.295 -19.076 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.543 -17.404 1.307 1.00 0.00 H new ATOM 792 N ASN A 52 3.184 -15.112 -0.309 1.00 0.00 N ATOM 793 CA ASN A 52 2.525 -13.806 -0.233 1.00 0.00 C ATOM 794 C ASN A 52 1.799 -13.463 -1.548 1.00 0.00 C ATOM 795 O ASN A 52 0.708 -12.895 -1.509 1.00 0.00 O ATOM 796 CB ASN A 52 3.547 -12.743 0.204 1.00 0.00 C ATOM 797 CG ASN A 52 2.891 -11.609 0.977 1.00 0.00 C ATOM 798 OD1 ASN A 52 3.025 -11.497 2.188 1.00 0.00 O ATOM 799 ND2 ASN A 52 2.141 -10.746 0.333 1.00 0.00 N ATOM 0 H ASN A 52 4.199 -15.058 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 52 1.741 -13.833 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.313 -13.209 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.050 -12.340 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.678 -9.993 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.021 -10.828 -0.677 1.00 0.00 H new ATOM 806 N LEU A 53 2.334 -13.881 -2.707 1.00 0.00 N ATOM 807 CA LEU A 53 1.614 -13.811 -3.981 1.00 0.00 C ATOM 808 C LEU A 53 0.372 -14.721 -3.975 1.00 0.00 C ATOM 809 O LEU A 53 -0.675 -14.313 -4.467 1.00 0.00 O ATOM 810 CB LEU A 53 2.567 -14.143 -5.146 1.00 0.00 C ATOM 811 CG LEU A 53 1.876 -14.138 -6.527 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.360 -12.749 -6.908 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.836 -14.608 -7.616 1.00 0.00 C ATOM 0 H LEU A 53 3.272 -14.274 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 53 1.253 -12.792 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.383 -13.421 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.011 -15.124 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 53 1.030 -14.821 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.882 -12.794 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.636 -12.414 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.194 -12.048 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.327 -14.596 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.698 -13.942 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.169 -15.622 -7.394 1.00 0.00 H new ATOM 825 N ASN A 54 0.437 -15.914 -3.374 1.00 0.00 N ATOM 826 CA ASN A 54 -0.734 -16.788 -3.222 1.00 0.00 C ATOM 827 C ASN A 54 -1.837 -16.136 -2.360 1.00 0.00 C ATOM 828 O ASN A 54 -3.008 -16.149 -2.742 1.00 0.00 O ATOM 829 CB ASN A 54 -0.273 -18.149 -2.675 1.00 0.00 C ATOM 830 CG ASN A 54 -1.428 -19.128 -2.540 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.969 -19.624 -3.517 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.855 -19.427 -1.334 1.00 0.00 N ATOM 0 H ASN A 54 1.296 -16.300 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.194 -16.947 -4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.483 -18.569 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.199 -18.008 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.636 -20.072 -1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.405 -19.014 -0.517 1.00 0.00 H new ATOM 839 N VAL A 55 -1.471 -15.487 -1.248 1.00 0.00 N ATOM 840 CA VAL A 55 -2.405 -14.696 -0.415 1.00 0.00 C ATOM 841 C VAL A 55 -2.971 -13.493 -1.179 1.00 0.00 C ATOM 842 O VAL A 55 -4.151 -13.178 -1.031 1.00 0.00 O ATOM 843 CB VAL A 55 -1.723 -14.269 0.899 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.553 -13.290 1.738 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.454 -15.498 1.774 1.00 0.00 C ATOM 0 H VAL A 55 -0.515 -15.492 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.254 -15.332 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.803 -13.768 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.007 -13.036 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.739 -12.384 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.503 -13.753 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.972 -15.186 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.397 -15.994 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.802 -16.189 1.240 1.00 0.00 H new ATOM 855 N HIS A 56 -2.183 -12.860 -2.050 1.00 0.00 N ATOM 856 CA HIS A 56 -2.669 -11.805 -2.948 1.00 0.00 C ATOM 857 C HIS A 56 -3.653 -12.329 -4.014 1.00 0.00 C ATOM 858 O HIS A 56 -4.707 -11.732 -4.230 1.00 0.00 O ATOM 859 CB HIS A 56 -1.480 -11.079 -3.590 1.00 0.00 C ATOM 860 CG HIS A 56 -1.942 -10.092 -4.627 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.581 -8.904 -4.373 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.006 -10.311 -5.977 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.033 -8.414 -5.534 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.711 -9.240 -6.559 1.00 0.00 N ATOM 0 H HIS A 56 -1.189 -13.063 -2.155 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.236 -11.096 -2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.908 -10.561 -2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.811 -11.807 -4.049 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.692 -8.469 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.589 -11.157 -6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.579 -7.488 -5.639 1.00 0.00 H new ATOM 872 N LEU A 57 -3.366 -13.462 -4.663 1.00 0.00 N ATOM 873 CA LEU A 57 -4.249 -14.082 -5.663 1.00 0.00 C ATOM 874 C LEU A 57 -5.609 -14.480 -5.069 1.00 0.00 C ATOM 875 O LEU A 57 -6.635 -14.341 -5.734 1.00 0.00 O ATOM 876 CB LEU A 57 -3.547 -15.308 -6.263 1.00 0.00 C ATOM 877 CG LEU A 57 -2.400 -14.977 -7.233 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.557 -16.231 -7.456 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.928 -14.504 -8.589 1.00 0.00 C ATOM 0 H LEU A 57 -2.503 -13.983 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.448 -13.347 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.154 -15.919 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.286 -15.913 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.807 -14.177 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.742 -16.004 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.146 -16.567 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.181 -17.018 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.089 -14.279 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.540 -15.288 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.532 -13.607 -8.452 1.00 0.00 H new ATOM 891 N ARG A 58 -5.640 -14.875 -3.789 1.00 0.00 N ATOM 892 CA ARG A 58 -6.874 -15.131 -3.017 1.00 0.00 C ATOM 893 C ARG A 58 -7.770 -13.888 -2.837 1.00 0.00 C ATOM 894 O ARG A 58 -8.939 -14.046 -2.483 1.00 0.00 O ATOM 895 CB ARG A 58 -6.507 -15.762 -1.660 1.00 0.00 C ATOM 896 CG ARG A 58 -6.010 -17.212 -1.799 1.00 0.00 C ATOM 897 CD ARG A 58 -5.309 -17.713 -0.526 1.00 0.00 C ATOM 898 NE ARG A 58 -6.209 -17.733 0.648 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.068 -18.680 0.986 1.00 0.00 C ATOM 900 NH1 ARG A 58 -7.236 -19.759 0.276 1.00 0.00 N ATOM 901 NH2 ARG A 58 -7.788 -18.557 2.064 1.00 0.00 N ATOM 0 H ARG A 58 -4.791 -15.030 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.477 -15.828 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.734 -15.161 -1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.379 -15.741 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.854 -17.863 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.321 -17.278 -2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.922 -18.717 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.452 -17.074 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.162 -16.924 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.694 -19.898 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.910 -20.465 0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.690 -17.728 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.450 -19.289 2.322 1.00 0.00 H new ATOM 915 N LYS A 59 -7.275 -12.672 -3.123 1.00 0.00 N ATOM 916 CA LYS A 59 -8.065 -11.421 -3.162 1.00 0.00 C ATOM 917 C LYS A 59 -8.751 -11.167 -4.513 1.00 0.00 C ATOM 918 O LYS A 59 -9.708 -10.394 -4.571 1.00 0.00 O ATOM 919 CB LYS A 59 -7.198 -10.206 -2.776 1.00 0.00 C ATOM 920 CG LYS A 59 -6.454 -10.385 -1.445 1.00 0.00 C ATOM 921 CD LYS A 59 -5.802 -9.079 -0.973 1.00 0.00 C ATOM 922 CE LYS A 59 -5.077 -9.319 0.359 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.485 -8.065 0.897 1.00 0.00 N ATOM 0 H LYS A 59 -6.289 -12.524 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.858 -11.553 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.472 -10.021 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.832 -9.322 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.150 -10.738 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.689 -11.153 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.097 -8.721 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.560 -8.305 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.777 -9.732 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.291 -10.061 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.004 -8.266 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.798 -7.685 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.238 -7.366 1.056 1.00 0.00 H new ATOM 937 N HIS A 60 -8.302 -11.814 -5.595 1.00 0.00 N ATOM 938 CA HIS A 60 -8.920 -11.734 -6.925 1.00 0.00 C ATOM 939 C HIS A 60 -10.127 -12.688 -7.035 1.00 0.00 C ATOM 940 O HIS A 60 -10.076 -13.714 -7.714 1.00 0.00 O ATOM 941 CB HIS A 60 -7.872 -11.972 -8.027 1.00 0.00 C ATOM 942 CG HIS A 60 -6.919 -10.823 -8.236 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.238 -9.625 -8.828 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.580 -10.795 -7.955 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.128 -8.875 -8.899 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.069 -9.547 -8.389 1.00 0.00 N ATOM 0 H HIS A 60 -7.482 -12.420 -5.571 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.309 -10.726 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.298 -12.865 -7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.388 -12.176 -8.965 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.013 -11.585 -7.485 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.085 -7.875 -9.306 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.104 -9.222 -8.330 1.00 0.00 H new ATOM 1012 N PHE A 65 -14.934 -11.621 -15.727 1.00 0.00 N ATOM 1013 CA PHE A 65 -14.708 -10.763 -16.893 1.00 0.00 C ATOM 1014 C PHE A 65 -14.440 -11.662 -18.111 1.00 0.00 C ATOM 1015 O PHE A 65 -13.673 -12.623 -18.003 1.00 0.00 O ATOM 1016 CB PHE A 65 -13.549 -9.797 -16.596 1.00 0.00 C ATOM 1017 CG PHE A 65 -13.781 -8.887 -15.403 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -13.438 -9.319 -14.107 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -14.361 -7.616 -15.581 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -13.660 -8.485 -12.998 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -14.590 -6.783 -14.469 1.00 0.00 C ATOM 1022 CZ PHE A 65 -14.233 -7.214 -13.178 1.00 0.00 C ATOM 0 HA PHE A 65 -15.582 -10.151 -17.115 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.643 -10.378 -16.424 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -13.370 -9.182 -17.478 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.002 -10.297 -13.965 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.630 -7.280 -16.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.390 -8.820 -12.007 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.041 -5.811 -14.607 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.399 -6.570 -12.327 1.00 0.00 H new ATOM 1032 N ALA A 66 -15.080 -11.388 -19.253 1.00 0.00 N ATOM 1033 CA ALA A 66 -15.104 -12.287 -20.413 1.00 0.00 C ATOM 1034 C ALA A 66 -14.631 -11.631 -21.723 1.00 0.00 C ATOM 1035 O ALA A 66 -14.902 -10.453 -21.979 1.00 0.00 O ATOM 1036 CB ALA A 66 -16.527 -12.843 -20.557 1.00 0.00 C ATOM 0 H ALA A 66 -15.603 -10.525 -19.400 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.388 -13.089 -20.230 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -16.570 -13.515 -21.414 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.797 -13.389 -19.653 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -17.226 -12.020 -20.706 1.00 0.00 H new ATOM 1042 N CYS A 67 -13.960 -12.421 -22.565 1.00 0.00 N ATOM 1043 CA CYS A 67 -13.475 -12.031 -23.886 1.00 0.00 C ATOM 1044 C CYS A 67 -14.623 -11.823 -24.896 1.00 0.00 C ATOM 1045 O CYS A 67 -15.645 -12.516 -24.877 1.00 0.00 O ATOM 1046 CB CYS A 67 -12.456 -13.089 -24.313 1.00 0.00 C ATOM 1047 SG CYS A 67 -11.606 -12.631 -25.853 1.00 0.00 S ATOM 0 H CYS A 67 -13.732 -13.388 -22.333 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.990 -11.056 -23.852 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.721 -13.226 -23.520 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.961 -14.045 -24.448 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.352 -12.964 -25.772 1.00 0.00 H new ATOM 1052 N ASP A 68 -14.437 -10.851 -25.791 1.00 0.00 N ATOM 1053 CA ASP A 68 -15.340 -10.556 -26.912 1.00 0.00 C ATOM 1054 C ASP A 68 -14.989 -11.349 -28.188 1.00 0.00 C ATOM 1055 O ASP A 68 -15.749 -11.326 -29.159 1.00 0.00 O ATOM 1056 CB ASP A 68 -15.324 -9.044 -27.191 1.00 0.00 C ATOM 1057 CG ASP A 68 -16.006 -8.234 -26.076 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -17.244 -8.360 -25.906 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -15.320 -7.438 -25.390 1.00 0.00 O ATOM 0 H ASP A 68 -13.631 -10.227 -25.757 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.342 -10.872 -26.623 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.293 -8.709 -27.301 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.826 -8.847 -28.138 1.00 0.00 H new ATOM 1064 N TYR A 69 -13.850 -12.055 -28.191 1.00 0.00 N ATOM 1065 CA TYR A 69 -13.257 -12.680 -29.383 1.00 0.00 C ATOM 1066 C TYR A 69 -13.028 -14.201 -29.254 1.00 0.00 C ATOM 1067 O TYR A 69 -12.857 -14.874 -30.274 1.00 0.00 O ATOM 1068 CB TYR A 69 -11.940 -11.952 -29.694 1.00 0.00 C ATOM 1069 CG TYR A 69 -12.049 -10.447 -29.859 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -12.501 -9.900 -31.076 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -11.700 -9.594 -28.791 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -12.605 -8.503 -31.226 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -11.805 -8.197 -28.936 1.00 0.00 C ATOM 1074 CZ TYR A 69 -12.258 -7.648 -30.158 1.00 0.00 C ATOM 1075 OH TYR A 69 -12.367 -6.299 -30.311 1.00 0.00 O ATOM 0 H TYR A 69 -13.302 -12.211 -27.345 1.00 0.00 H new ATOM 0 HA TYR A 69 -13.970 -12.577 -30.201 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.231 -12.162 -28.893 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.521 -12.371 -30.609 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.768 -10.552 -31.895 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.351 -10.014 -27.859 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.951 -8.086 -32.160 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.540 -7.546 -28.116 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.091 -5.853 -29.484 1.00 0.00 H new ATOM 1085 N CYS A 70 -13.038 -14.753 -28.033 1.00 0.00 N ATOM 1086 CA CYS A 70 -12.989 -16.194 -27.747 1.00 0.00 C ATOM 1087 C CYS A 70 -13.752 -16.563 -26.447 1.00 0.00 C ATOM 1088 O CYS A 70 -14.463 -15.737 -25.865 1.00 0.00 O ATOM 1089 CB CYS A 70 -11.523 -16.668 -27.738 1.00 0.00 C ATOM 1090 SG CYS A 70 -10.644 -16.085 -26.266 1.00 0.00 S ATOM 0 H CYS A 70 -13.082 -14.187 -27.185 1.00 0.00 H new ATOM 0 HA CYS A 70 -13.511 -16.727 -28.542 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.492 -17.757 -27.774 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -11.017 -16.305 -28.633 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.940 -14.838 -26.050 1.00 0.00 H new ATOM 1095 N SER A 71 -13.613 -17.813 -25.996 1.00 0.00 N ATOM 1096 CA SER A 71 -14.276 -18.370 -24.802 1.00 0.00 C ATOM 1097 C SER A 71 -13.591 -18.024 -23.463 1.00 0.00 C ATOM 1098 O SER A 71 -14.033 -18.493 -22.411 1.00 0.00 O ATOM 1099 CB SER A 71 -14.411 -19.894 -24.942 1.00 0.00 C ATOM 1100 OG SER A 71 -15.078 -20.241 -26.148 1.00 0.00 O ATOM 0 H SER A 71 -13.015 -18.493 -26.466 1.00 0.00 H new ATOM 0 HA SER A 71 -15.256 -17.895 -24.762 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.422 -20.353 -24.925 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.962 -20.293 -24.090 1.00 0.00 H new ATOM 0 HG SER A 71 -15.149 -21.216 -26.213 1.00 0.00 H new ATOM 1106 N PHE A 72 -12.508 -17.236 -23.469 1.00 0.00 N ATOM 1107 CA PHE A 72 -11.723 -16.895 -22.272 1.00 0.00 C ATOM 1108 C PHE A 72 -12.527 -16.109 -21.215 1.00 0.00 C ATOM 1109 O PHE A 72 -13.257 -15.165 -21.537 1.00 0.00 O ATOM 1110 CB PHE A 72 -10.480 -16.107 -22.704 1.00 0.00 C ATOM 1111 CG PHE A 72 -9.619 -15.552 -21.582 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -8.583 -16.332 -21.032 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -9.831 -14.240 -21.110 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.759 -15.797 -20.025 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -9.005 -13.708 -20.106 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.965 -14.485 -19.566 1.00 0.00 C ATOM 0 H PHE A 72 -12.145 -16.809 -24.321 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.435 -17.828 -21.788 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -9.861 -16.755 -23.324 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.801 -15.277 -23.333 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.421 -17.340 -21.383 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.631 -13.642 -21.522 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.966 -16.397 -19.603 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.169 -12.702 -19.749 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.325 -14.074 -18.799 1.00 0.00 H new ATOM 1126 N THR A 73 -12.326 -16.464 -19.940 1.00 0.00 N ATOM 1127 CA THR A 73 -12.824 -15.726 -18.764 1.00 0.00 C ATOM 1128 C THR A 73 -11.763 -15.623 -17.661 1.00 0.00 C ATOM 1129 O THR A 73 -10.900 -16.495 -17.520 1.00 0.00 O ATOM 1130 CB THR A 73 -14.116 -16.325 -18.176 1.00 0.00 C ATOM 1131 OG1 THR A 73 -13.936 -17.664 -17.762 1.00 0.00 O ATOM 1132 CG2 THR A 73 -15.294 -16.299 -19.148 1.00 0.00 C ATOM 0 H THR A 73 -11.796 -17.298 -19.686 1.00 0.00 H new ATOM 0 HA THR A 73 -13.056 -14.727 -19.133 1.00 0.00 H new ATOM 0 HB THR A 73 -14.345 -15.687 -17.322 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.776 -18.008 -17.393 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.170 -16.736 -18.669 1.00 0.00 H new ATOM 0 HG22 THR A 73 -15.510 -15.269 -19.430 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.043 -16.874 -20.039 1.00 0.00 H new ATOM 1140 N CYS A 74 -11.819 -14.542 -16.880 1.00 0.00 N ATOM 1141 CA CYS A 74 -10.888 -14.220 -15.793 1.00 0.00 C ATOM 1142 C CYS A 74 -11.578 -13.476 -14.630 1.00 0.00 C ATOM 1143 O CYS A 74 -12.775 -13.190 -14.692 1.00 0.00 O ATOM 1144 CB CYS A 74 -9.724 -13.413 -16.389 1.00 0.00 C ATOM 1145 SG CYS A 74 -10.327 -11.891 -17.165 1.00 0.00 S ATOM 0 H CYS A 74 -12.546 -13.835 -16.992 1.00 0.00 H new ATOM 0 HA CYS A 74 -10.508 -15.142 -15.354 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.007 -13.168 -15.606 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.196 -14.018 -17.126 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.940 -10.865 -16.466 1.00 0.00 H new ATOM 1151 N LEU A 75 -10.827 -13.150 -13.568 1.00 0.00 N ATOM 1152 CA LEU A 75 -11.324 -12.471 -12.358 1.00 0.00 C ATOM 1153 C LEU A 75 -10.734 -11.054 -12.176 1.00 0.00 C ATOM 1154 O LEU A 75 -10.692 -10.524 -11.063 1.00 0.00 O ATOM 1155 CB LEU A 75 -11.141 -13.398 -11.135 1.00 0.00 C ATOM 1156 CG LEU A 75 -11.968 -14.701 -11.199 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -11.588 -15.633 -10.049 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -13.473 -14.440 -11.103 1.00 0.00 C ATOM 0 H LEU A 75 -9.829 -13.356 -13.524 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.393 -12.288 -12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.086 -13.655 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.416 -12.850 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.744 -15.156 -12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.180 -16.546 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.529 -15.882 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.783 -15.136 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.010 -15.387 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.697 -13.945 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.785 -13.802 -11.930 1.00 0.00 H new ATOM 1170 N SER A 76 -10.291 -10.424 -13.271 1.00 0.00 N ATOM 1171 CA SER A 76 -9.877 -9.014 -13.318 1.00 0.00 C ATOM 1172 C SER A 76 -10.041 -8.416 -14.719 1.00 0.00 C ATOM 1173 O SER A 76 -9.626 -9.018 -15.712 1.00 0.00 O ATOM 1174 CB SER A 76 -8.409 -8.894 -12.900 1.00 0.00 C ATOM 1175 OG SER A 76 -7.947 -7.564 -13.069 1.00 0.00 O ATOM 0 H SER A 76 -10.208 -10.892 -14.173 1.00 0.00 H new ATOM 0 HA SER A 76 -10.519 -8.462 -12.632 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.297 -9.194 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.800 -9.574 -13.495 1.00 0.00 H new ATOM 0 HG SER A 76 -6.967 -7.555 -13.066 1.00 0.00 H new ATOM 1181 N LYS A 77 -10.546 -7.176 -14.808 1.00 0.00 N ATOM 1182 CA LYS A 77 -10.548 -6.392 -16.058 1.00 0.00 C ATOM 1183 C LYS A 77 -9.132 -6.089 -16.575 1.00 0.00 C ATOM 1184 O LYS A 77 -8.939 -5.950 -17.781 1.00 0.00 O ATOM 1185 CB LYS A 77 -11.392 -5.114 -15.888 1.00 0.00 C ATOM 1186 CG LYS A 77 -10.865 -4.139 -14.817 1.00 0.00 C ATOM 1187 CD LYS A 77 -11.697 -2.851 -14.716 1.00 0.00 C ATOM 1188 CE LYS A 77 -13.131 -3.114 -14.234 1.00 0.00 C ATOM 1189 NZ LYS A 77 -13.895 -1.848 -14.077 1.00 0.00 N ATOM 0 H LYS A 77 -10.965 -6.687 -14.017 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.013 -7.006 -16.829 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.437 -4.593 -16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.412 -5.399 -15.632 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.861 -4.639 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.831 -3.880 -15.046 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.208 -2.159 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.728 -2.365 -15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.642 -3.762 -14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.104 -3.644 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.859 -2.062 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.420 -1.240 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.941 -1.355 -14.991 1.00 0.00 H new ATOM 1203 N GLY A 78 -8.132 -6.065 -15.687 1.00 0.00 N ATOM 1204 CA GLY A 78 -6.714 -5.979 -16.049 1.00 0.00 C ATOM 1205 C GLY A 78 -6.227 -7.237 -16.774 1.00 0.00 C ATOM 1206 O GLY A 78 -5.609 -7.138 -17.832 1.00 0.00 O ATOM 0 H GLY A 78 -8.289 -6.105 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.555 -5.109 -16.687 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.119 -5.827 -15.148 1.00 0.00 H new ATOM 1210 N HIS A 79 -6.589 -8.425 -16.276 1.00 0.00 N ATOM 1211 CA HIS A 79 -6.280 -9.698 -16.940 1.00 0.00 C ATOM 1212 C HIS A 79 -6.990 -9.813 -18.301 1.00 0.00 C ATOM 1213 O HIS A 79 -6.385 -10.263 -19.275 1.00 0.00 O ATOM 1214 CB HIS A 79 -6.653 -10.865 -16.013 1.00 0.00 C ATOM 1215 CG HIS A 79 -6.081 -12.217 -16.386 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -6.365 -13.398 -15.739 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -5.151 -12.513 -17.352 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -5.640 -14.380 -16.298 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -4.881 -13.888 -17.294 1.00 0.00 N ATOM 0 H HIS A 79 -7.104 -8.532 -15.402 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.209 -9.736 -17.141 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.325 -10.620 -15.003 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.739 -10.947 -15.984 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.018 -13.509 -14.963 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.705 -11.808 -18.038 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.663 -15.416 -15.992 1.00 0.00 H new ATOM 1227 N LEU A 80 -8.235 -9.329 -18.403 1.00 0.00 N ATOM 1228 CA LEU A 80 -8.975 -9.275 -19.667 1.00 0.00 C ATOM 1229 C LEU A 80 -8.297 -8.349 -20.692 1.00 0.00 C ATOM 1230 O LEU A 80 -8.134 -8.732 -21.851 1.00 0.00 O ATOM 1231 CB LEU A 80 -10.429 -8.849 -19.398 1.00 0.00 C ATOM 1232 CG LEU A 80 -11.300 -8.810 -20.668 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -11.383 -10.173 -21.354 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -12.718 -8.360 -20.324 1.00 0.00 C ATOM 0 H LEU A 80 -8.758 -8.963 -17.607 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.976 -10.272 -20.107 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.875 -9.539 -18.681 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.431 -7.862 -18.935 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.826 -8.104 -21.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.008 -10.095 -22.244 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.383 -10.498 -21.640 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.818 -10.900 -20.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.322 -8.337 -21.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.158 -9.058 -19.612 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.687 -7.363 -19.883 1.00 0.00 H new ATOM 1246 N LYS A 81 -7.847 -7.158 -20.270 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.092 -6.234 -21.132 1.00 0.00 C ATOM 1248 C LYS A 81 -5.791 -6.877 -21.622 1.00 0.00 C ATOM 1249 O LYS A 81 -5.538 -6.881 -22.823 1.00 0.00 O ATOM 1250 CB LYS A 81 -6.857 -4.908 -20.388 1.00 0.00 C ATOM 1251 CG LYS A 81 -6.191 -3.858 -21.294 1.00 0.00 C ATOM 1252 CD LYS A 81 -6.100 -2.470 -20.642 1.00 0.00 C ATOM 1253 CE LYS A 81 -5.189 -2.460 -19.405 1.00 0.00 C ATOM 1254 NZ LYS A 81 -5.060 -1.093 -18.836 1.00 0.00 N ATOM 0 H LYS A 81 -7.995 -6.808 -19.324 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.675 -6.013 -22.026 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.809 -4.522 -20.022 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.229 -5.087 -19.515 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.188 -4.196 -21.556 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.754 -3.780 -22.224 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.724 -1.753 -21.372 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.099 -2.140 -20.356 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.592 -3.134 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.203 -2.838 -19.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.439 -1.121 -18.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.652 -0.457 -19.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.999 -0.743 -18.556 1.00 0.00 H new ATOM 1268 N VAL A 82 -5.018 -7.495 -20.725 1.00 0.00 N ATOM 1269 CA VAL A 82 -3.782 -8.230 -21.066 1.00 0.00 C ATOM 1270 C VAL A 82 -4.058 -9.364 -22.064 1.00 0.00 C ATOM 1271 O VAL A 82 -3.312 -9.509 -23.032 1.00 0.00 O ATOM 1272 CB VAL A 82 -3.098 -8.752 -19.783 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -1.945 -9.726 -20.058 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -2.511 -7.583 -18.980 1.00 0.00 C ATOM 0 H VAL A 82 -5.230 -7.503 -19.727 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.097 -7.539 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.879 -9.277 -19.233 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.511 -10.052 -19.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.322 -10.592 -20.602 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.182 -9.227 -20.655 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.032 -7.965 -18.078 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.774 -7.058 -19.588 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.309 -6.895 -18.703 1.00 0.00 H new ATOM 1284 N HIS A 83 -5.147 -10.120 -21.894 1.00 0.00 N ATOM 1285 CA HIS A 83 -5.561 -11.159 -22.841 1.00 0.00 C ATOM 1286 C HIS A 83 -5.865 -10.586 -24.236 1.00 0.00 C ATOM 1287 O HIS A 83 -5.306 -11.058 -25.227 1.00 0.00 O ATOM 1288 CB HIS A 83 -6.763 -11.927 -22.264 1.00 0.00 C ATOM 1289 CG HIS A 83 -7.368 -12.906 -23.240 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -6.891 -14.161 -23.536 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -8.472 -12.700 -24.020 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -7.680 -14.703 -24.475 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -8.668 -13.842 -24.823 1.00 0.00 N ATOM 0 H HIS A 83 -5.769 -10.028 -21.091 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.731 -11.853 -22.977 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.447 -12.464 -21.370 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.527 -11.214 -21.954 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -6.076 -14.604 -23.113 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.089 -11.813 -24.021 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.547 -15.689 -24.896 1.00 0.00 H new ATOM 1301 N ILE A 84 -6.702 -9.549 -24.342 1.00 0.00 N ATOM 1302 CA ILE A 84 -7.102 -8.978 -25.641 1.00 0.00 C ATOM 1303 C ILE A 84 -5.904 -8.321 -26.350 1.00 0.00 C ATOM 1304 O ILE A 84 -5.677 -8.588 -27.532 1.00 0.00 O ATOM 1305 CB ILE A 84 -8.317 -8.034 -25.479 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -9.549 -8.834 -24.981 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -8.659 -7.340 -26.814 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -10.758 -7.972 -24.593 1.00 0.00 C ATOM 0 H ILE A 84 -7.121 -9.081 -23.538 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.431 -9.786 -26.294 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.057 -7.270 -24.746 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.853 -9.531 -25.762 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.253 -9.431 -24.118 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.517 -6.682 -26.673 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.803 -6.754 -27.149 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.899 -8.093 -27.565 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.571 -8.616 -24.257 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.477 -7.293 -23.788 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.086 -7.395 -25.458 1.00 0.00 H new ATOM 1320 N GLU A 85 -5.089 -7.540 -25.634 1.00 0.00 N ATOM 1321 CA GLU A 85 -3.899 -6.858 -26.171 1.00 0.00 C ATOM 1322 C GLU A 85 -2.814 -7.827 -26.689 1.00 0.00 C ATOM 1323 O GLU A 85 -2.032 -7.448 -27.565 1.00 0.00 O ATOM 1324 CB GLU A 85 -3.284 -5.968 -25.074 1.00 0.00 C ATOM 1325 CG GLU A 85 -4.113 -4.722 -24.728 1.00 0.00 C ATOM 1326 CD GLU A 85 -4.092 -3.687 -25.864 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -3.146 -2.866 -25.934 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -5.032 -3.688 -26.691 1.00 0.00 O ATOM 0 H GLU A 85 -5.239 -7.358 -24.642 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.237 -6.268 -27.023 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.153 -6.564 -24.171 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.291 -5.651 -25.394 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.142 -5.016 -24.524 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.724 -4.269 -23.816 1.00 0.00 H new ATOM 1335 N ARG A 86 -2.755 -9.066 -26.175 1.00 0.00 N ATOM 1336 CA ARG A 86 -1.768 -10.089 -26.575 1.00 0.00 C ATOM 1337 C ARG A 86 -2.293 -11.103 -27.598 1.00 0.00 C ATOM 1338 O ARG A 86 -1.538 -11.510 -28.482 1.00 0.00 O ATOM 1339 CB ARG A 86 -1.225 -10.806 -25.329 1.00 0.00 C ATOM 1340 CG ARG A 86 -0.349 -9.878 -24.472 1.00 0.00 C ATOM 1341 CD ARG A 86 0.177 -10.627 -23.246 1.00 0.00 C ATOM 1342 NE ARG A 86 1.051 -9.768 -22.424 1.00 0.00 N ATOM 1343 CZ ARG A 86 1.640 -10.101 -21.289 1.00 0.00 C ATOM 1344 NH1 ARG A 86 1.499 -11.282 -20.753 1.00 0.00 N ATOM 1345 NH2 ARG A 86 2.390 -9.242 -20.660 1.00 0.00 N ATOM 0 H ARG A 86 -3.402 -9.393 -25.457 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.963 -9.556 -27.082 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.058 -11.175 -24.730 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.643 -11.675 -25.635 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.486 -9.505 -25.065 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.928 -9.010 -24.156 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.662 -10.977 -22.644 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.730 -11.510 -23.567 1.00 0.00 H new ATOM 0 HE ARG A 86 1.217 -8.822 -22.766 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.918 -11.984 -21.212 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.969 -11.503 -19.875 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.525 -8.306 -21.043 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.842 -9.505 -19.784 1.00 0.00 H new ATOM 1359 N VAL A 87 -3.557 -11.520 -27.486 1.00 0.00 N ATOM 1360 CA VAL A 87 -4.125 -12.647 -28.259 1.00 0.00 C ATOM 1361 C VAL A 87 -4.920 -12.193 -29.490 1.00 0.00 C ATOM 1362 O VAL A 87 -4.872 -12.868 -30.519 1.00 0.00 O ATOM 1363 CB VAL A 87 -4.971 -13.562 -27.340 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -5.513 -14.797 -28.071 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -4.140 -14.084 -26.156 1.00 0.00 C ATOM 0 H VAL A 87 -4.228 -11.086 -26.852 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.284 -13.223 -28.646 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.798 -12.938 -27.002 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.098 -15.402 -27.378 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.146 -14.480 -28.900 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.681 -15.387 -28.454 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.762 -14.723 -25.529 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.292 -14.657 -26.531 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.776 -13.242 -25.567 1.00 0.00 H new ATOM 1375 N HIS A 88 -5.628 -11.057 -29.419 1.00 0.00 N ATOM 1376 CA HIS A 88 -6.593 -10.641 -30.455 1.00 0.00 C ATOM 1377 C HIS A 88 -6.271 -9.294 -31.127 1.00 0.00 C ATOM 1378 O HIS A 88 -6.591 -9.101 -32.304 1.00 0.00 O ATOM 1379 CB HIS A 88 -7.997 -10.620 -29.838 1.00 0.00 C ATOM 1380 CG HIS A 88 -8.416 -11.944 -29.245 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -8.696 -13.101 -29.935 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -8.625 -12.204 -27.921 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -9.084 -14.037 -29.054 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -9.072 -13.535 -27.796 1.00 0.00 N ATOM 0 H HIS A 88 -5.550 -10.399 -28.644 1.00 0.00 H new ATOM 0 HA HIS A 88 -6.530 -11.373 -31.260 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.032 -9.856 -29.061 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -8.717 -10.330 -30.603 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.474 -11.509 -27.108 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -9.366 -15.047 -29.312 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.332 -14.019 -26.937 1.00 0.00 H new