USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 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 148:sc= 0.0558 USER MOD Set 1.2: A 79 HIS :FLIP no HD1:sc= 0.442 F(o=-0.57,f=0.5) USER MOD Set 2.1: A 67 CYS SG : rot 140:sc= 2.08 USER MOD Set 2.2: A 70 CYS SG : rot -43:sc= 1.47 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.667 K(o=4.4,f=-2.1) USER MOD Set 2.4: A 88 HIS : no HD1:sc= 0.156 K(o=4.4,f=-2.8) USER MOD Set 3.1: A 40 CYS SG : rot 124:sc= 2.29 USER MOD Set 3.2: A 43 CYS SG : rot -42:sc= 1.19 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.347 K(o=4.1,f=-1.7) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.312 K(o=4.1,f=-1.6) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -171:sc= 0.774 (180deg=0) USER MOD Set 4.2: A 54 ASN : amide:sc= 0.697 K(o=1.5,f=-5.6!) USER MOD Set 5.1: A 47 SER OG : rot -110:sc= 0.662 USER MOD Set 5.2: A 52 ASN : amide:sc= 0.679 K(o=1.3,f=0.26) USER MOD Set 6.1: A 23 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.022) USER MOD Set 6.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 12 CYS SG : rot 149:sc= 2.11 USER MOD Set 7.2: A 15 CYS SG : rot -41:sc= 2.1 USER MOD Set 7.3: A 17 LYS NZ :NH3+ 151:sc= 1.37 (180deg=-0.215) USER MOD Set 7.4: A 28 HIS : no HE2:sc= 0.19 K(o=5.8,f=2.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.31) 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 K(o=0,f=-0.54) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc=0.000848 USER MOD Single : A 45 TYR OH : rot 180:sc= 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 76 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 25.046 11.318 4.790 1.00 0.00 N ATOM 110 CA PHE A 10 24.489 10.085 4.217 1.00 0.00 C ATOM 111 C PHE A 10 24.149 10.277 2.731 1.00 0.00 C ATOM 112 O PHE A 10 23.505 11.260 2.369 1.00 0.00 O ATOM 113 CB PHE A 10 23.271 9.659 5.053 1.00 0.00 C ATOM 114 CG PHE A 10 23.596 9.418 6.517 1.00 0.00 C ATOM 115 CD1 PHE A 10 24.044 8.152 6.943 1.00 0.00 C ATOM 116 CD2 PHE A 10 23.500 10.472 7.449 1.00 0.00 C ATOM 117 CE1 PHE A 10 24.388 7.942 8.290 1.00 0.00 C ATOM 118 CE2 PHE A 10 23.838 10.260 8.798 1.00 0.00 C ATOM 119 CZ PHE A 10 24.277 8.992 9.220 1.00 0.00 C ATOM 0 HA PHE A 10 25.228 9.285 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 10 22.504 10.430 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 10 22.849 8.748 4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 10 24.123 7.341 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 10 23.165 11.447 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 10 24.738 6.972 8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 10 23.761 11.070 9.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 24.529 8.825 10.257 1.00 0.00 H new ATOM 129 N THR A 11 24.564 9.348 1.863 1.00 0.00 N ATOM 130 CA THR A 11 24.480 9.499 0.398 1.00 0.00 C ATOM 131 C THR A 11 23.938 8.234 -0.277 1.00 0.00 C ATOM 132 O THR A 11 24.382 7.124 0.028 1.00 0.00 O ATOM 133 CB THR A 11 25.862 9.863 -0.178 1.00 0.00 C ATOM 134 OG1 THR A 11 26.394 10.994 0.488 1.00 0.00 O ATOM 135 CG2 THR A 11 25.815 10.216 -1.661 1.00 0.00 C ATOM 0 H THR A 11 24.972 8.460 2.156 1.00 0.00 H new ATOM 0 HA THR A 11 23.779 10.307 0.189 1.00 0.00 H new ATOM 0 HB THR A 11 26.479 8.976 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 11 27.273 11.212 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.818 10.463 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.435 9.365 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 11 25.158 11.073 -1.810 1.00 0.00 H new ATOM 143 N CYS A 12 23.003 8.403 -1.217 1.00 0.00 N ATOM 144 CA CYS A 12 22.438 7.337 -2.043 1.00 0.00 C ATOM 145 C CYS A 12 23.458 6.822 -3.074 1.00 0.00 C ATOM 146 O CYS A 12 24.090 7.601 -3.793 1.00 0.00 O ATOM 147 CB CYS A 12 21.159 7.875 -2.696 1.00 0.00 C ATOM 148 SG CYS A 12 20.396 6.596 -3.735 1.00 0.00 S ATOM 0 H CYS A 12 22.606 9.318 -1.429 1.00 0.00 H new ATOM 0 HA CYS A 12 22.188 6.473 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 12 20.456 8.195 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.392 8.752 -3.299 1.00 0.00 H new ATOM 0 HG CYS A 12 19.106 6.760 -3.748 1.00 0.00 H new ATOM 153 N GLU A 13 23.603 5.500 -3.167 1.00 0.00 N ATOM 154 CA GLU A 13 24.495 4.837 -4.132 1.00 0.00 C ATOM 155 C GLU A 13 23.864 4.639 -5.525 1.00 0.00 C ATOM 156 O GLU A 13 24.558 4.225 -6.459 1.00 0.00 O ATOM 157 CB GLU A 13 25.026 3.521 -3.535 1.00 0.00 C ATOM 158 CG GLU A 13 23.955 2.435 -3.356 1.00 0.00 C ATOM 159 CD GLU A 13 24.567 1.170 -2.719 1.00 0.00 C ATOM 160 OE1 GLU A 13 25.159 0.339 -3.450 1.00 0.00 O ATOM 161 OE2 GLU A 13 24.471 1.002 -1.479 1.00 0.00 O ATOM 0 H GLU A 13 23.099 4.846 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 13 25.337 5.506 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 25.815 3.135 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.480 3.731 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 13 23.149 2.812 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 13 23.516 2.186 -4.322 1.00 0.00 H new ATOM 168 N TYR A 14 22.567 4.938 -5.681 1.00 0.00 N ATOM 169 CA TYR A 14 21.802 4.711 -6.915 1.00 0.00 C ATOM 170 C TYR A 14 21.475 5.999 -7.692 1.00 0.00 C ATOM 171 O TYR A 14 21.403 5.954 -8.924 1.00 0.00 O ATOM 172 CB TYR A 14 20.512 3.957 -6.574 1.00 0.00 C ATOM 173 CG TYR A 14 20.698 2.595 -5.931 1.00 0.00 C ATOM 174 CD1 TYR A 14 20.997 1.474 -6.731 1.00 0.00 C ATOM 175 CD2 TYR A 14 20.545 2.443 -4.538 1.00 0.00 C ATOM 176 CE1 TYR A 14 21.142 0.203 -6.143 1.00 0.00 C ATOM 177 CE2 TYR A 14 20.686 1.172 -3.948 1.00 0.00 C ATOM 178 CZ TYR A 14 20.986 0.049 -4.748 1.00 0.00 C ATOM 179 OH TYR A 14 21.120 -1.177 -4.168 1.00 0.00 O ATOM 0 H TYR A 14 22.008 5.354 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 14 22.435 4.119 -7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.917 4.577 -5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 14 19.934 3.831 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 14 21.115 1.590 -7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.320 3.302 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.372 -0.654 -6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 14 20.564 1.057 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 14 20.981 -1.098 -3.201 1.00 0.00 H new ATOM 189 N CYS A 15 21.289 7.134 -7.000 1.00 0.00 N ATOM 190 CA CYS A 15 20.975 8.440 -7.606 1.00 0.00 C ATOM 191 C CYS A 15 21.809 9.631 -7.069 1.00 0.00 C ATOM 192 O CYS A 15 21.540 10.787 -7.411 1.00 0.00 O ATOM 193 CB CYS A 15 19.455 8.676 -7.579 1.00 0.00 C ATOM 194 SG CYS A 15 18.816 8.927 -5.911 1.00 0.00 S ATOM 0 H CYS A 15 21.354 7.172 -5.983 1.00 0.00 H new ATOM 0 HA CYS A 15 21.293 8.392 -8.647 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.216 9.547 -8.189 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.951 7.822 -8.031 1.00 0.00 H new ATOM 0 HG CYS A 15 19.395 8.097 -5.095 1.00 0.00 H new ATOM 199 N ASN A 16 22.846 9.356 -6.268 1.00 0.00 N ATOM 200 CA ASN A 16 23.828 10.317 -5.733 1.00 0.00 C ATOM 201 C ASN A 16 23.248 11.461 -4.862 1.00 0.00 C ATOM 202 O ASN A 16 23.956 12.426 -4.559 1.00 0.00 O ATOM 203 CB ASN A 16 24.766 10.803 -6.863 1.00 0.00 C ATOM 204 CG ASN A 16 25.560 9.702 -7.557 1.00 0.00 C ATOM 205 OD1 ASN A 16 25.643 8.558 -7.128 1.00 0.00 O ATOM 206 ND2 ASN A 16 26.197 10.021 -8.661 1.00 0.00 N ATOM 0 H ASN A 16 23.036 8.404 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 16 24.423 9.768 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 16 24.170 11.327 -7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 16 25.465 11.529 -6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 16 26.752 9.319 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 16 26.136 10.970 -9.029 1.00 0.00 H new ATOM 213 N LYS A 17 21.985 11.361 -4.426 1.00 0.00 N ATOM 214 CA LYS A 17 21.345 12.298 -3.486 1.00 0.00 C ATOM 215 C LYS A 17 21.988 12.245 -2.101 1.00 0.00 C ATOM 216 O LYS A 17 22.447 11.192 -1.661 1.00 0.00 O ATOM 217 CB LYS A 17 19.849 11.987 -3.362 1.00 0.00 C ATOM 218 CG LYS A 17 19.059 12.426 -4.596 1.00 0.00 C ATOM 219 CD LYS A 17 17.600 11.980 -4.420 1.00 0.00 C ATOM 220 CE LYS A 17 16.737 12.163 -5.671 1.00 0.00 C ATOM 221 NZ LYS A 17 17.298 11.449 -6.851 1.00 0.00 N ATOM 0 H LYS A 17 21.363 10.609 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 17 21.484 13.302 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.715 10.916 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.448 12.487 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.113 13.508 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 17 19.485 11.984 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.585 10.929 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.155 12.543 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.730 11.797 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.651 13.225 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.525 11.174 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.957 12.076 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.804 10.598 -6.533 1.00 0.00 H new ATOM 235 N VAL A 18 21.966 13.382 -1.410 1.00 0.00 N ATOM 236 CA VAL A 18 22.577 13.582 -0.083 1.00 0.00 C ATOM 237 C VAL A 18 21.510 13.925 0.964 1.00 0.00 C ATOM 238 O VAL A 18 20.599 14.714 0.704 1.00 0.00 O ATOM 239 CB VAL A 18 23.688 14.653 -0.145 1.00 0.00 C ATOM 240 CG1 VAL A 18 24.386 14.819 1.208 1.00 0.00 C ATOM 241 CG2 VAL A 18 24.770 14.285 -1.170 1.00 0.00 C ATOM 0 H VAL A 18 21.509 14.222 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 18 23.045 12.647 0.225 1.00 0.00 H new ATOM 0 HB VAL A 18 23.192 15.580 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 25.162 15.581 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 18 23.657 15.123 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 24.837 13.872 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 18 25.535 15.061 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 25.224 13.334 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.320 14.199 -2.159 1.00 0.00 H new ATOM 251 N PHE A 19 21.639 13.331 2.151 1.00 0.00 N ATOM 252 CA PHE A 19 20.695 13.392 3.270 1.00 0.00 C ATOM 253 C PHE A 19 21.427 13.680 4.594 1.00 0.00 C ATOM 254 O PHE A 19 22.553 13.223 4.820 1.00 0.00 O ATOM 255 CB PHE A 19 19.907 12.069 3.344 1.00 0.00 C ATOM 256 CG PHE A 19 19.160 11.706 2.068 1.00 0.00 C ATOM 257 CD1 PHE A 19 19.793 10.934 1.075 1.00 0.00 C ATOM 258 CD2 PHE A 19 17.850 12.176 1.851 1.00 0.00 C ATOM 259 CE1 PHE A 19 19.134 10.660 -0.138 1.00 0.00 C ATOM 260 CE2 PHE A 19 17.193 11.903 0.635 1.00 0.00 C ATOM 261 CZ PHE A 19 17.838 11.157 -0.368 1.00 0.00 C ATOM 0 H PHE A 19 22.455 12.759 2.371 1.00 0.00 H new ATOM 0 HA PHE A 19 19.996 14.211 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 19 20.598 11.262 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 19 19.191 12.133 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.788 10.551 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 19 17.348 12.747 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 19 19.625 10.066 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.190 12.268 0.472 1.00 0.00 H new ATOM 0 HZ PHE A 19 17.342 10.967 -1.308 1.00 0.00 H new ATOM 271 N LYS A 20 20.774 14.430 5.495 1.00 0.00 N ATOM 272 CA LYS A 20 21.335 14.839 6.799 1.00 0.00 C ATOM 273 C LYS A 20 21.404 13.691 7.818 1.00 0.00 C ATOM 274 O LYS A 20 22.282 13.694 8.680 1.00 0.00 O ATOM 275 CB LYS A 20 20.504 16.029 7.327 1.00 0.00 C ATOM 276 CG LYS A 20 20.970 16.639 8.662 1.00 0.00 C ATOM 277 CD LYS A 20 22.387 17.233 8.622 1.00 0.00 C ATOM 278 CE LYS A 20 22.832 17.790 9.984 1.00 0.00 C ATOM 279 NZ LYS A 20 22.078 19.009 10.388 1.00 0.00 N ATOM 0 H LYS A 20 19.827 14.776 5.339 1.00 0.00 H new ATOM 0 HA LYS A 20 22.372 15.140 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 20 20.509 16.814 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 19.470 15.702 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 20 20.269 17.420 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 20 20.932 15.870 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.090 16.465 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 20 22.423 18.029 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 20 22.703 17.020 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 23.896 18.024 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.421 19.339 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.221 19.756 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.065 18.784 10.455 1.00 0.00 H new ATOM 293 N PHE A 21 20.500 12.714 7.712 1.00 0.00 N ATOM 294 CA PHE A 21 20.299 11.650 8.704 1.00 0.00 C ATOM 295 C PHE A 21 20.170 10.255 8.072 1.00 0.00 C ATOM 296 O PHE A 21 19.707 10.108 6.936 1.00 0.00 O ATOM 297 CB PHE A 21 19.051 11.973 9.539 1.00 0.00 C ATOM 298 CG PHE A 21 19.077 13.317 10.251 1.00 0.00 C ATOM 299 CD1 PHE A 21 19.965 13.533 11.323 1.00 0.00 C ATOM 300 CD2 PHE A 21 18.214 14.355 9.844 1.00 0.00 C ATOM 301 CE1 PHE A 21 19.985 14.774 11.987 1.00 0.00 C ATOM 302 CE2 PHE A 21 18.230 15.592 10.512 1.00 0.00 C ATOM 303 CZ PHE A 21 19.111 15.800 11.588 1.00 0.00 C ATOM 0 H PHE A 21 19.870 12.637 6.913 1.00 0.00 H new ATOM 0 HA PHE A 21 21.185 11.618 9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.179 11.943 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.919 11.188 10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.633 12.744 11.636 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.538 14.199 9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.672 14.938 12.804 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.565 16.383 10.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.116 16.747 12.107 1.00 0.00 H new ATOM 313 N LYS A 22 20.528 9.217 8.843 1.00 0.00 N ATOM 314 CA LYS A 22 20.505 7.809 8.413 1.00 0.00 C ATOM 315 C LYS A 22 19.098 7.336 8.039 1.00 0.00 C ATOM 316 O LYS A 22 18.919 6.728 6.986 1.00 0.00 O ATOM 317 CB LYS A 22 21.117 6.938 9.526 1.00 0.00 C ATOM 318 CG LYS A 22 21.351 5.487 9.069 1.00 0.00 C ATOM 319 CD LYS A 22 21.914 4.593 10.184 1.00 0.00 C ATOM 320 CE LYS A 22 23.334 4.992 10.609 1.00 0.00 C ATOM 321 NZ LYS A 22 23.859 4.084 11.664 1.00 0.00 N ATOM 0 H LYS A 22 20.849 9.335 9.804 1.00 0.00 H new ATOM 0 HA LYS A 22 21.101 7.713 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 22 22.064 7.373 9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.456 6.942 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 22 20.410 5.067 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 22 22.040 5.484 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.254 4.641 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.919 3.557 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 22 23.995 4.967 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.331 6.018 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 24.820 4.380 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.240 4.127 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.884 3.109 11.302 1.00 0.00 H new ATOM 335 N HIS A 23 18.093 7.655 8.860 1.00 0.00 N ATOM 336 CA HIS A 23 16.698 7.260 8.617 1.00 0.00 C ATOM 337 C HIS A 23 16.126 7.881 7.330 1.00 0.00 C ATOM 338 O HIS A 23 15.378 7.220 6.608 1.00 0.00 O ATOM 339 CB HIS A 23 15.833 7.597 9.841 1.00 0.00 C ATOM 340 CG HIS A 23 15.739 9.070 10.161 1.00 0.00 C ATOM 341 ND1 HIS A 23 14.852 9.976 9.624 1.00 0.00 N ATOM 342 CD2 HIS A 23 16.532 9.761 11.037 1.00 0.00 C ATOM 343 CE1 HIS A 23 15.113 11.185 10.150 1.00 0.00 C ATOM 344 NE2 HIS A 23 16.127 11.101 11.031 1.00 0.00 N ATOM 0 H HIS A 23 18.222 8.196 9.715 1.00 0.00 H new ATOM 0 HA HIS A 23 16.681 6.181 8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 23 14.827 7.210 9.676 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.237 7.076 10.709 1.00 0.00 H new ATOM 0 HD2 HIS A 23 17.332 9.344 11.631 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.585 12.094 9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.522 11.862 11.584 1.00 0.00 H new ATOM 352 N SER A 24 16.522 9.116 6.999 1.00 0.00 N ATOM 353 CA SER A 24 16.125 9.790 5.754 1.00 0.00 C ATOM 354 C SER A 24 16.657 9.062 4.513 1.00 0.00 C ATOM 355 O SER A 24 15.898 8.833 3.569 1.00 0.00 O ATOM 356 CB SER A 24 16.599 11.247 5.747 1.00 0.00 C ATOM 357 OG SER A 24 16.073 11.943 6.870 1.00 0.00 O ATOM 0 H SER A 24 17.131 9.681 7.591 1.00 0.00 H new ATOM 0 HA SER A 24 15.036 9.769 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 17.688 11.282 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 24 16.281 11.736 4.826 1.00 0.00 H new ATOM 0 HG SER A 24 16.385 12.872 6.855 1.00 0.00 H new ATOM 363 N LEU A 25 17.921 8.614 4.534 1.00 0.00 N ATOM 364 CA LEU A 25 18.471 7.763 3.472 1.00 0.00 C ATOM 365 C LEU A 25 17.812 6.370 3.451 1.00 0.00 C ATOM 366 O LEU A 25 17.428 5.897 2.386 1.00 0.00 O ATOM 367 CB LEU A 25 20.005 7.676 3.604 1.00 0.00 C ATOM 368 CG LEU A 25 20.658 6.736 2.568 1.00 0.00 C ATOM 369 CD1 LEU A 25 20.416 7.177 1.123 1.00 0.00 C ATOM 370 CD2 LEU A 25 22.166 6.668 2.780 1.00 0.00 C ATOM 0 H LEU A 25 18.583 8.829 5.279 1.00 0.00 H new ATOM 0 HA LEU A 25 18.239 8.223 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.429 8.674 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 20.257 7.330 4.607 1.00 0.00 H new ATOM 0 HG LEU A 25 20.192 5.763 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.900 6.476 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.345 7.196 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.831 8.174 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 25 22.608 6.001 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 22.594 7.665 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.376 6.290 3.781 1.00 0.00 H new ATOM 382 N GLN A 26 17.630 5.724 4.606 1.00 0.00 N ATOM 383 CA GLN A 26 17.004 4.394 4.699 1.00 0.00 C ATOM 384 C GLN A 26 15.585 4.366 4.108 1.00 0.00 C ATOM 385 O GLN A 26 15.235 3.430 3.388 1.00 0.00 O ATOM 386 CB GLN A 26 16.968 3.938 6.165 1.00 0.00 C ATOM 387 CG GLN A 26 18.339 3.450 6.664 1.00 0.00 C ATOM 388 CD GLN A 26 18.349 3.090 8.152 1.00 0.00 C ATOM 389 OE1 GLN A 26 17.518 3.510 8.948 1.00 0.00 O ATOM 390 NE2 GLN A 26 19.306 2.301 8.596 1.00 0.00 N ATOM 0 H GLN A 26 17.912 6.107 5.508 1.00 0.00 H new ATOM 0 HA GLN A 26 17.612 3.709 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.630 4.764 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.238 3.136 6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 26 18.639 2.577 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 26 19.082 4.226 6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 26 20.009 1.939 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.344 2.052 9.584 1.00 0.00 H new ATOM 399 N ALA A 27 14.783 5.405 4.357 1.00 0.00 N ATOM 400 CA ALA A 27 13.453 5.551 3.770 1.00 0.00 C ATOM 401 C ALA A 27 13.498 5.891 2.267 1.00 0.00 C ATOM 402 O ALA A 27 12.654 5.415 1.508 1.00 0.00 O ATOM 403 CB ALA A 27 12.696 6.613 4.566 1.00 0.00 C ATOM 0 H ALA A 27 15.043 6.173 4.976 1.00 0.00 H new ATOM 0 HA ALA A 27 12.933 4.595 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.698 6.740 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.614 6.298 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.235 7.559 4.514 1.00 0.00 H new ATOM 409 N HIS A 28 14.499 6.658 1.819 1.00 0.00 N ATOM 410 CA HIS A 28 14.712 6.961 0.400 1.00 0.00 C ATOM 411 C HIS A 28 15.091 5.709 -0.412 1.00 0.00 C ATOM 412 O HIS A 28 14.555 5.493 -1.500 1.00 0.00 O ATOM 413 CB HIS A 28 15.781 8.057 0.264 1.00 0.00 C ATOM 414 CG HIS A 28 16.230 8.238 -1.162 1.00 0.00 C ATOM 415 ND1 HIS A 28 15.500 8.821 -2.167 1.00 0.00 N ATOM 416 CD2 HIS A 28 17.360 7.713 -1.727 1.00 0.00 C ATOM 417 CE1 HIS A 28 16.161 8.650 -3.319 1.00 0.00 C ATOM 418 NE2 HIS A 28 17.317 7.970 -3.112 1.00 0.00 N ATOM 0 H HIS A 28 15.188 7.088 2.436 1.00 0.00 H new ATOM 0 HA HIS A 28 13.772 7.323 -0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 28 15.383 8.999 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 28 16.640 7.803 0.885 1.00 0.00 H new ATOM 0 HD1 HIS A 28 14.607 9.302 -2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.148 7.192 -1.203 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.821 9.005 -4.281 1.00 0.00 H new ATOM 426 N LEU A 29 15.973 4.850 0.115 1.00 0.00 N ATOM 427 CA LEU A 29 16.469 3.647 -0.575 1.00 0.00 C ATOM 428 C LEU A 29 15.357 2.653 -0.970 1.00 0.00 C ATOM 429 O LEU A 29 15.551 1.868 -1.901 1.00 0.00 O ATOM 430 CB LEU A 29 17.540 2.966 0.302 1.00 0.00 C ATOM 431 CG LEU A 29 18.896 3.698 0.353 1.00 0.00 C ATOM 432 CD1 LEU A 29 19.779 3.075 1.433 1.00 0.00 C ATOM 433 CD2 LEU A 29 19.656 3.623 -0.973 1.00 0.00 C ATOM 0 H LEU A 29 16.370 4.971 1.047 1.00 0.00 H new ATOM 0 HA LEU A 29 16.908 3.972 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 29 17.154 2.875 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.703 1.954 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 29 18.677 4.744 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.736 3.595 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.286 3.162 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.946 2.022 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.603 4.155 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.849 2.580 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.058 4.081 -1.761 1.00 0.00 H new ATOM 445 N ARG A 30 14.173 2.731 -0.341 1.00 0.00 N ATOM 446 CA ARG A 30 12.995 1.899 -0.656 1.00 0.00 C ATOM 447 C ARG A 30 12.499 2.033 -2.106 1.00 0.00 C ATOM 448 O ARG A 30 11.849 1.113 -2.602 1.00 0.00 O ATOM 449 CB ARG A 30 11.851 2.227 0.321 1.00 0.00 C ATOM 450 CG ARG A 30 12.207 1.930 1.789 1.00 0.00 C ATOM 451 CD ARG A 30 11.069 2.297 2.750 1.00 0.00 C ATOM 452 NE ARG A 30 9.893 1.418 2.588 1.00 0.00 N ATOM 453 CZ ARG A 30 8.723 1.546 3.190 1.00 0.00 C ATOM 454 NH1 ARG A 30 8.475 2.513 4.028 1.00 0.00 N ATOM 455 NH2 ARG A 30 7.766 0.693 2.959 1.00 0.00 N ATOM 0 H ARG A 30 14.002 3.389 0.419 1.00 0.00 H new ATOM 0 HA ARG A 30 13.316 0.863 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.588 3.280 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.968 1.651 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.443 0.871 1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.104 2.486 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.429 2.233 3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.772 3.332 2.580 1.00 0.00 H new ATOM 0 HE ARG A 30 9.994 0.632 1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.196 3.203 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.560 2.580 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.917 -0.080 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.866 0.798 3.427 1.00 0.00 H new ATOM 469 N ILE A 31 12.808 3.133 -2.806 1.00 0.00 N ATOM 470 CA ILE A 31 12.431 3.316 -4.219 1.00 0.00 C ATOM 471 C ILE A 31 13.323 2.514 -5.184 1.00 0.00 C ATOM 472 O ILE A 31 12.869 2.101 -6.252 1.00 0.00 O ATOM 473 CB ILE A 31 12.365 4.808 -4.608 1.00 0.00 C ATOM 474 CG1 ILE A 31 13.748 5.452 -4.863 1.00 0.00 C ATOM 475 CG2 ILE A 31 11.507 5.594 -3.596 1.00 0.00 C ATOM 476 CD1 ILE A 31 13.664 6.924 -5.266 1.00 0.00 C ATOM 0 H ILE A 31 13.324 3.920 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 31 11.425 2.908 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 31 11.869 4.861 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.354 5.363 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.261 4.896 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.472 6.644 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.496 5.187 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.946 5.507 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.668 7.314 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 31 13.084 7.017 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.179 7.492 -4.472 1.00 0.00 H new ATOM 570 N PRO A 37 10.213 -10.061 -7.842 1.00 0.00 N ATOM 571 CA PRO A 37 10.049 -11.079 -8.889 1.00 0.00 C ATOM 572 C PRO A 37 8.643 -11.679 -9.005 1.00 0.00 C ATOM 573 O PRO A 37 8.200 -11.986 -10.115 1.00 0.00 O ATOM 574 CB PRO A 37 11.055 -12.179 -8.534 1.00 0.00 C ATOM 575 CG PRO A 37 11.204 -12.075 -7.020 1.00 0.00 C ATOM 576 CD PRO A 37 11.064 -10.575 -6.777 1.00 0.00 C ATOM 0 HA PRO A 37 10.216 -10.613 -9.860 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.691 -13.162 -8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.008 -12.025 -9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.436 -12.644 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.168 -12.453 -6.680 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.623 -10.380 -5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.039 -10.087 -6.790 1.00 0.00 H new ATOM 584 N TYR A 38 7.937 -11.873 -7.887 1.00 0.00 N ATOM 585 CA TYR A 38 6.637 -12.557 -7.857 1.00 0.00 C ATOM 586 C TYR A 38 5.498 -11.608 -8.235 1.00 0.00 C ATOM 587 O TYR A 38 4.793 -11.066 -7.382 1.00 0.00 O ATOM 588 CB TYR A 38 6.406 -13.263 -6.515 1.00 0.00 C ATOM 589 CG TYR A 38 7.359 -14.412 -6.288 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.145 -15.634 -6.948 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.469 -14.250 -5.444 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.025 -16.713 -6.732 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.357 -15.321 -5.229 1.00 0.00 C ATOM 594 CZ TYR A 38 9.132 -16.559 -5.867 1.00 0.00 C ATOM 595 OH TYR A 38 9.983 -17.598 -5.642 1.00 0.00 O ATOM 0 H TYR A 38 8.252 -11.558 -6.970 1.00 0.00 H new ATOM 0 HA TYR A 38 6.650 -13.339 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.515 -12.541 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.382 -13.633 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.307 -15.746 -7.620 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.642 -13.301 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.854 -17.657 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.209 -15.195 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 38 10.688 -17.315 -5.023 1.00 0.00 H new ATOM 605 N LYS A 39 5.359 -11.391 -9.544 1.00 0.00 N ATOM 606 CA LYS A 39 4.369 -10.507 -10.174 1.00 0.00 C ATOM 607 C LYS A 39 3.031 -11.220 -10.380 1.00 0.00 C ATOM 608 O LYS A 39 2.995 -12.399 -10.743 1.00 0.00 O ATOM 609 CB LYS A 39 4.931 -9.958 -11.495 1.00 0.00 C ATOM 610 CG LYS A 39 6.079 -8.966 -11.247 1.00 0.00 C ATOM 611 CD LYS A 39 6.804 -8.606 -12.546 1.00 0.00 C ATOM 612 CE LYS A 39 7.953 -7.636 -12.244 1.00 0.00 C ATOM 613 NZ LYS A 39 8.702 -7.273 -13.476 1.00 0.00 N ATOM 0 H LYS A 39 5.961 -11.847 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 39 4.174 -9.668 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.288 -10.783 -12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.136 -9.464 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.685 -8.060 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.788 -9.399 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.192 -9.508 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.106 -8.151 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.555 -6.733 -11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.634 -8.091 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.471 -6.616 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.102 -8.132 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.057 -6.817 -14.152 1.00 0.00 H new ATOM 627 N CYS A 40 1.939 -10.492 -10.171 1.00 0.00 N ATOM 628 CA CYS A 40 0.576 -10.984 -10.338 1.00 0.00 C ATOM 629 C CYS A 40 0.229 -11.203 -11.830 1.00 0.00 C ATOM 630 O CYS A 40 0.541 -10.346 -12.667 1.00 0.00 O ATOM 631 CB CYS A 40 -0.356 -9.995 -9.636 1.00 0.00 C ATOM 632 SG CYS A 40 -2.095 -10.502 -9.721 1.00 0.00 S ATOM 0 H CYS A 40 1.979 -9.517 -9.873 1.00 0.00 H new ATOM 0 HA CYS A 40 0.458 -11.967 -9.882 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.059 -9.899 -8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.245 -9.010 -10.090 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.584 -10.578 -8.519 1.00 0.00 H new ATOM 637 N PRO A 41 -0.434 -12.321 -12.191 1.00 0.00 N ATOM 638 CA PRO A 41 -0.961 -12.545 -13.535 1.00 0.00 C ATOM 639 C PRO A 41 -2.207 -11.692 -13.847 1.00 0.00 C ATOM 640 O PRO A 41 -2.639 -11.660 -15.002 1.00 0.00 O ATOM 641 CB PRO A 41 -1.268 -14.046 -13.587 1.00 0.00 C ATOM 642 CG PRO A 41 -1.638 -14.380 -12.143 1.00 0.00 C ATOM 643 CD PRO A 41 -0.722 -13.462 -11.336 1.00 0.00 C ATOM 0 HA PRO A 41 -0.241 -12.242 -14.295 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.086 -14.266 -14.273 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.406 -14.621 -13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.690 -14.182 -11.939 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.461 -15.431 -11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.206 -13.144 -10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.196 -13.978 -11.054 1.00 0.00 H new ATOM 651 N GLN A 42 -2.797 -11.013 -12.851 1.00 0.00 N ATOM 652 CA GLN A 42 -4.061 -10.271 -12.985 1.00 0.00 C ATOM 653 C GLN A 42 -3.946 -8.750 -12.750 1.00 0.00 C ATOM 654 O GLN A 42 -4.780 -8.017 -13.294 1.00 0.00 O ATOM 655 CB GLN A 42 -5.123 -10.891 -12.058 1.00 0.00 C ATOM 656 CG GLN A 42 -5.525 -12.315 -12.474 1.00 0.00 C ATOM 657 CD GLN A 42 -6.611 -12.884 -11.565 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.353 -13.624 -10.624 1.00 0.00 O ATOM 659 NE2 GLN A 42 -7.868 -12.566 -11.803 1.00 0.00 N ATOM 0 H GLN A 42 -2.402 -10.963 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.362 -10.368 -14.028 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.740 -10.911 -11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.009 -10.256 -12.053 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.881 -12.306 -13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.649 -12.963 -12.445 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.100 -11.951 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.609 -12.935 -11.207 1.00 0.00 H new ATOM 668 N CYS A 43 -2.959 -8.250 -11.989 1.00 0.00 N ATOM 669 CA CYS A 43 -2.771 -6.811 -11.749 1.00 0.00 C ATOM 670 C CYS A 43 -1.286 -6.390 -11.634 1.00 0.00 C ATOM 671 O CYS A 43 -0.371 -7.170 -11.912 1.00 0.00 O ATOM 672 CB CYS A 43 -3.625 -6.407 -10.533 1.00 0.00 C ATOM 673 SG CYS A 43 -2.992 -7.133 -9.008 1.00 0.00 S ATOM 0 H CYS A 43 -2.267 -8.835 -11.521 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.116 -6.258 -12.622 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.638 -5.321 -10.442 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.655 -6.727 -10.689 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.652 -8.369 -9.224 1.00 0.00 H new ATOM 678 N SER A 44 -1.045 -5.131 -11.258 1.00 0.00 N ATOM 679 CA SER A 44 0.286 -4.520 -11.111 1.00 0.00 C ATOM 680 C SER A 44 1.044 -4.930 -9.833 1.00 0.00 C ATOM 681 O SER A 44 2.182 -4.498 -9.623 1.00 0.00 O ATOM 682 CB SER A 44 0.156 -2.993 -11.200 1.00 0.00 C ATOM 683 OG SER A 44 -0.742 -2.504 -10.212 1.00 0.00 O ATOM 0 H SER A 44 -1.799 -4.481 -11.038 1.00 0.00 H new ATOM 0 HA SER A 44 0.893 -4.903 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.135 -2.532 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.198 -2.711 -12.191 1.00 0.00 H new ATOM 0 HG SER A 44 -0.809 -1.529 -10.285 1.00 0.00 H new ATOM 689 N TYR A 45 0.447 -5.772 -8.982 1.00 0.00 N ATOM 690 CA TYR A 45 1.056 -6.326 -7.772 1.00 0.00 C ATOM 691 C TYR A 45 2.360 -7.094 -8.056 1.00 0.00 C ATOM 692 O TYR A 45 2.452 -7.870 -9.012 1.00 0.00 O ATOM 693 CB TYR A 45 0.028 -7.245 -7.092 1.00 0.00 C ATOM 694 CG TYR A 45 0.547 -8.029 -5.895 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.258 -9.233 -6.079 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.326 -7.546 -4.590 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.742 -9.952 -4.970 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.796 -8.269 -3.475 1.00 0.00 C ATOM 699 CZ TYR A 45 1.502 -9.478 -3.665 1.00 0.00 C ATOM 700 OH TYR A 45 1.949 -10.192 -2.599 1.00 0.00 O ATOM 0 H TYR A 45 -0.509 -6.097 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 45 1.330 -5.499 -7.117 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.819 -6.639 -6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.349 -7.951 -7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.432 -9.606 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.206 -6.618 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.297 -10.866 -5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.617 -7.899 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 45 1.704 -9.730 -1.770 1.00 0.00 H new ATOM 710 N ALA A 46 3.348 -6.915 -7.177 1.00 0.00 N ATOM 711 CA ALA A 46 4.580 -7.705 -7.121 1.00 0.00 C ATOM 712 C ALA A 46 5.070 -7.910 -5.672 1.00 0.00 C ATOM 713 O ALA A 46 4.901 -7.023 -4.829 1.00 0.00 O ATOM 714 CB ALA A 46 5.648 -7.031 -7.990 1.00 0.00 C ATOM 0 H ALA A 46 3.311 -6.191 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 46 4.376 -8.701 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.568 -7.614 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.296 -6.974 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.840 -6.025 -7.616 1.00 0.00 H new ATOM 720 N SER A 47 5.718 -9.046 -5.386 1.00 0.00 N ATOM 721 CA SER A 47 6.347 -9.337 -4.085 1.00 0.00 C ATOM 722 C SER A 47 7.637 -10.171 -4.200 1.00 0.00 C ATOM 723 O SER A 47 8.038 -10.586 -5.288 1.00 0.00 O ATOM 724 CB SER A 47 5.327 -10.017 -3.162 1.00 0.00 C ATOM 725 OG SER A 47 5.759 -9.934 -1.811 1.00 0.00 O ATOM 0 H SER A 47 5.824 -9.803 -6.061 1.00 0.00 H new ATOM 0 HA SER A 47 6.654 -8.384 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.353 -9.540 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.205 -11.061 -3.449 1.00 0.00 H new ATOM 0 HG SER A 47 6.020 -10.824 -1.496 1.00 0.00 H new ATOM 731 N ALA A 48 8.306 -10.402 -3.068 1.00 0.00 N ATOM 732 CA ALA A 48 9.550 -11.168 -2.944 1.00 0.00 C ATOM 733 C ALA A 48 9.345 -12.633 -2.488 1.00 0.00 C ATOM 734 O ALA A 48 10.321 -13.375 -2.370 1.00 0.00 O ATOM 735 CB ALA A 48 10.487 -10.389 -2.012 1.00 0.00 C ATOM 0 H ALA A 48 7.980 -10.044 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 48 9.998 -11.269 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.424 -10.934 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.688 -9.406 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.015 -10.272 -1.036 1.00 0.00 H new ATOM 741 N ILE A 49 8.096 -13.057 -2.239 1.00 0.00 N ATOM 742 CA ILE A 49 7.743 -14.401 -1.742 1.00 0.00 C ATOM 743 C ILE A 49 6.532 -14.960 -2.515 1.00 0.00 C ATOM 744 O ILE A 49 5.497 -14.296 -2.620 1.00 0.00 O ATOM 745 CB ILE A 49 7.471 -14.362 -0.214 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.618 -13.678 0.574 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.235 -15.786 0.323 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.410 -13.607 2.092 1.00 0.00 C ATOM 0 H ILE A 49 7.281 -12.461 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 49 8.586 -15.071 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 49 6.573 -13.762 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.546 -14.214 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.747 -12.665 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.046 -15.744 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.374 -16.227 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.118 -16.397 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.265 -13.112 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.503 -13.043 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.314 -14.616 2.494 1.00 0.00 H new ATOM 760 N LYS A 50 6.619 -16.214 -2.994 1.00 0.00 N ATOM 761 CA LYS A 50 5.527 -16.904 -3.718 1.00 0.00 C ATOM 762 C LYS A 50 4.278 -17.100 -2.851 1.00 0.00 C ATOM 763 O LYS A 50 3.163 -16.899 -3.323 1.00 0.00 O ATOM 764 CB LYS A 50 6.036 -18.261 -4.250 1.00 0.00 C ATOM 765 CG LYS A 50 5.046 -19.010 -5.165 1.00 0.00 C ATOM 766 CD LYS A 50 4.727 -18.306 -6.493 1.00 0.00 C ATOM 767 CE LYS A 50 3.724 -19.108 -7.337 1.00 0.00 C ATOM 768 NZ LYS A 50 2.310 -18.816 -6.984 1.00 0.00 N ATOM 0 H LYS A 50 7.457 -16.786 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 50 5.230 -16.268 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.963 -18.095 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.279 -18.900 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.453 -19.997 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.115 -19.162 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.321 -17.315 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.647 -18.164 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.884 -18.885 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.914 -20.173 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.684 -19.489 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.183 -18.907 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.072 -17.847 -7.278 1.00 0.00 H new ATOM 782 N ALA A 51 4.458 -17.429 -1.571 1.00 0.00 N ATOM 783 CA ALA A 51 3.365 -17.550 -0.604 1.00 0.00 C ATOM 784 C ALA A 51 2.612 -16.221 -0.391 1.00 0.00 C ATOM 785 O ALA A 51 1.392 -16.229 -0.234 1.00 0.00 O ATOM 786 CB ALA A 51 3.936 -18.094 0.711 1.00 0.00 C ATOM 0 H ALA A 51 5.377 -17.621 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 51 2.623 -18.244 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.134 -18.190 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.387 -19.071 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.693 -17.408 1.090 1.00 0.00 H new ATOM 792 N ASN A 52 3.293 -15.070 -0.463 1.00 0.00 N ATOM 793 CA ASN A 52 2.625 -13.767 -0.383 1.00 0.00 C ATOM 794 C ASN A 52 1.796 -13.483 -1.650 1.00 0.00 C ATOM 795 O ASN A 52 0.663 -13.011 -1.550 1.00 0.00 O ATOM 796 CB ASN A 52 3.667 -12.673 -0.092 1.00 0.00 C ATOM 797 CG ASN A 52 3.039 -11.388 0.433 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.010 -11.376 1.096 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.666 -10.263 0.195 1.00 0.00 N ATOM 0 H ASN A 52 4.305 -15.016 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 52 1.912 -13.775 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.385 -13.046 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.223 -12.455 -1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.296 -9.386 0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.524 -10.264 -0.357 1.00 0.00 H new ATOM 806 N LEU A 53 2.291 -13.880 -2.833 1.00 0.00 N ATOM 807 CA LEU A 53 1.505 -13.861 -4.071 1.00 0.00 C ATOM 808 C LEU A 53 0.290 -14.813 -4.004 1.00 0.00 C ATOM 809 O LEU A 53 -0.785 -14.449 -4.473 1.00 0.00 O ATOM 810 CB LEU A 53 2.435 -14.142 -5.270 1.00 0.00 C ATOM 811 CG LEU A 53 1.719 -14.239 -6.632 1.00 0.00 C ATOM 812 CD1 LEU A 53 0.979 -12.960 -7.014 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.737 -14.530 -7.734 1.00 0.00 C ATOM 0 H LEU A 53 3.244 -14.222 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 53 1.074 -12.869 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.184 -13.352 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.968 -15.075 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 53 0.989 -15.042 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.497 -13.094 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.224 -12.738 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.687 -12.134 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.225 -14.597 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.473 -13.727 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.240 -15.474 -7.524 1.00 0.00 H new ATOM 825 N ASN A 54 0.398 -15.980 -3.358 1.00 0.00 N ATOM 826 CA ASN A 54 -0.751 -16.872 -3.125 1.00 0.00 C ATOM 827 C ASN A 54 -1.822 -16.203 -2.233 1.00 0.00 C ATOM 828 O ASN A 54 -3.016 -16.270 -2.533 1.00 0.00 O ATOM 829 CB ASN A 54 -0.274 -18.207 -2.517 1.00 0.00 C ATOM 830 CG ASN A 54 0.633 -19.049 -3.402 1.00 0.00 C ATOM 831 OD1 ASN A 54 0.870 -18.784 -4.574 1.00 0.00 O ATOM 832 ND2 ASN A 54 1.166 -20.124 -2.867 1.00 0.00 N ATOM 0 H ASN A 54 1.278 -16.334 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.220 -17.077 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.253 -17.994 -1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.151 -18.801 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.769 -20.727 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.977 -20.356 -1.892 1.00 0.00 H new ATOM 839 N VAL A 55 -1.400 -15.494 -1.175 1.00 0.00 N ATOM 840 CA VAL A 55 -2.272 -14.697 -0.282 1.00 0.00 C ATOM 841 C VAL A 55 -2.871 -13.473 -0.988 1.00 0.00 C ATOM 842 O VAL A 55 -3.949 -13.011 -0.620 1.00 0.00 O ATOM 843 CB VAL A 55 -1.500 -14.296 0.995 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.258 -13.334 1.921 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.193 -15.550 1.818 1.00 0.00 C ATOM 0 H VAL A 55 -0.417 -15.455 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.116 -15.324 0.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.605 -13.786 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.643 -13.106 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.482 -12.412 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.188 -13.799 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.648 -15.269 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.126 -16.040 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.586 -16.234 1.226 1.00 0.00 H new ATOM 855 N HIS A 56 -2.224 -12.977 -2.041 1.00 0.00 N ATOM 856 CA HIS A 56 -2.764 -11.939 -2.926 1.00 0.00 C ATOM 857 C HIS A 56 -3.775 -12.472 -3.960 1.00 0.00 C ATOM 858 O HIS A 56 -4.818 -11.856 -4.169 1.00 0.00 O ATOM 859 CB HIS A 56 -1.604 -11.194 -3.599 1.00 0.00 C ATOM 860 CG HIS A 56 -2.094 -10.227 -4.639 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.820 -9.087 -4.394 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.087 -10.426 -5.992 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.260 -8.612 -5.565 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.841 -9.397 -6.587 1.00 0.00 N ATOM 0 H HIS A 56 -1.291 -13.290 -2.311 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.335 -11.246 -2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.030 -10.657 -2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.928 -11.914 -4.061 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.994 -8.674 -3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.590 -11.231 -6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.866 -7.725 -5.680 1.00 0.00 H new ATOM 872 N LEU A 57 -3.523 -13.620 -4.595 1.00 0.00 N ATOM 873 CA LEU A 57 -4.405 -14.180 -5.633 1.00 0.00 C ATOM 874 C LEU A 57 -5.816 -14.487 -5.107 1.00 0.00 C ATOM 875 O LEU A 57 -6.803 -14.235 -5.800 1.00 0.00 O ATOM 876 CB LEU A 57 -3.754 -15.443 -6.208 1.00 0.00 C ATOM 877 CG LEU A 57 -2.602 -15.159 -7.187 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.768 -16.425 -7.363 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.128 -14.734 -8.558 1.00 0.00 C ATOM 0 H LEU A 57 -2.700 -14.192 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.528 -13.431 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.378 -16.052 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.515 -16.032 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.001 -14.349 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.950 -16.228 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.361 -16.730 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.396 -17.222 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.289 -14.541 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.746 -15.530 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.725 -13.828 -8.454 1.00 0.00 H new ATOM 891 N ARG A 58 -5.933 -14.925 -3.847 1.00 0.00 N ATOM 892 CA ARG A 58 -7.227 -15.124 -3.160 1.00 0.00 C ATOM 893 C ARG A 58 -8.028 -13.836 -2.894 1.00 0.00 C ATOM 894 O ARG A 58 -9.197 -13.917 -2.520 1.00 0.00 O ATOM 895 CB ARG A 58 -7.027 -15.972 -1.897 1.00 0.00 C ATOM 896 CG ARG A 58 -6.181 -15.290 -0.814 1.00 0.00 C ATOM 897 CD ARG A 58 -6.002 -16.186 0.416 1.00 0.00 C ATOM 898 NE ARG A 58 -7.256 -16.350 1.178 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.454 -17.152 2.210 1.00 0.00 C ATOM 900 NH1 ARG A 58 -6.514 -17.921 2.683 1.00 0.00 N ATOM 901 NH2 ARG A 58 -8.616 -17.197 2.796 1.00 0.00 N ATOM 0 H ARG A 58 -5.127 -15.155 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.863 -15.672 -3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.003 -16.219 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.552 -16.913 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.203 -15.035 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.656 -14.355 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.641 -17.165 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.238 -15.759 1.066 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.051 -15.787 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.588 -17.917 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.704 -18.527 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.380 -16.611 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.762 -17.818 3.592 1.00 0.00 H new ATOM 915 N LYS A 59 -7.433 -12.660 -3.128 1.00 0.00 N ATOM 916 CA LYS A 59 -8.102 -11.338 -3.102 1.00 0.00 C ATOM 917 C LYS A 59 -8.719 -10.933 -4.450 1.00 0.00 C ATOM 918 O LYS A 59 -9.484 -9.972 -4.498 1.00 0.00 O ATOM 919 CB LYS A 59 -7.147 -10.236 -2.597 1.00 0.00 C ATOM 920 CG LYS A 59 -6.424 -10.615 -1.298 1.00 0.00 C ATOM 921 CD LYS A 59 -5.630 -9.442 -0.710 1.00 0.00 C ATOM 922 CE LYS A 59 -4.909 -9.904 0.563 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.152 -8.794 1.202 1.00 0.00 N ATOM 0 H LYS A 59 -6.440 -12.592 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.929 -11.444 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.407 -10.023 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.713 -9.319 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.154 -10.960 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.748 -11.448 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.907 -9.076 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.300 -8.613 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.638 -10.301 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.225 -10.717 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.678 -9.145 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.440 -8.431 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.808 -8.029 1.458 1.00 0.00 H new ATOM 937 N HIS A 60 -8.423 -11.650 -5.541 1.00 0.00 N ATOM 938 CA HIS A 60 -9.042 -11.399 -6.854 1.00 0.00 C ATOM 939 C HIS A 60 -10.477 -11.949 -6.996 1.00 0.00 C ATOM 940 O HIS A 60 -11.211 -11.498 -7.879 1.00 0.00 O ATOM 941 CB HIS A 60 -8.118 -11.879 -7.988 1.00 0.00 C ATOM 942 CG HIS A 60 -7.048 -10.871 -8.325 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.268 -9.673 -8.963 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.707 -10.946 -8.054 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.105 -9.022 -9.066 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.102 -9.756 -8.527 1.00 0.00 N ATOM 0 H HIS A 60 -7.751 -12.418 -5.542 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.159 -10.318 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.649 -12.819 -7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.715 -12.082 -8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.201 -11.766 -7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.982 -8.048 -9.516 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.115 -9.504 -8.473 1.00 0.00 H new ATOM 1012 N PHE A 65 -14.881 -2.764 -4.757 1.00 0.00 N ATOM 1013 CA PHE A 65 -15.039 -1.312 -4.844 1.00 0.00 C ATOM 1014 C PHE A 65 -13.853 -0.746 -5.641 1.00 0.00 C ATOM 1015 O PHE A 65 -12.736 -1.251 -5.505 1.00 0.00 O ATOM 1016 CB PHE A 65 -15.107 -0.722 -3.427 1.00 0.00 C ATOM 1017 CG PHE A 65 -16.157 -1.349 -2.529 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -17.482 -0.871 -2.544 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -15.812 -2.420 -1.683 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -18.450 -1.452 -1.705 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -16.782 -3.008 -0.853 1.00 0.00 C ATOM 1022 CZ PHE A 65 -18.100 -2.521 -0.861 1.00 0.00 C ATOM 0 HA PHE A 65 -15.964 -1.046 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -14.131 -0.833 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -15.305 0.347 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -17.755 -0.058 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.798 -2.791 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.463 -1.077 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.515 -3.833 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.844 -2.968 -0.219 1.00 0.00 H new ATOM 1032 N ALA A 66 -14.072 0.277 -6.473 1.00 0.00 N ATOM 1033 CA ALA A 66 -13.081 0.784 -7.432 1.00 0.00 C ATOM 1034 C ALA A 66 -12.716 2.265 -7.207 1.00 0.00 C ATOM 1035 O ALA A 66 -13.583 3.092 -6.910 1.00 0.00 O ATOM 1036 CB ALA A 66 -13.607 0.542 -8.852 1.00 0.00 C ATOM 0 H ALA A 66 -14.956 0.785 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.150 0.238 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.882 0.913 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.760 -0.526 -9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.553 1.067 -8.984 1.00 0.00 H new ATOM 1042 N CYS A 67 -11.433 2.592 -7.392 1.00 0.00 N ATOM 1043 CA CYS A 67 -10.885 3.941 -7.264 1.00 0.00 C ATOM 1044 C CYS A 67 -11.430 4.900 -8.342 1.00 0.00 C ATOM 1045 O CYS A 67 -11.695 4.514 -9.487 1.00 0.00 O ATOM 1046 CB CYS A 67 -9.356 3.807 -7.274 1.00 0.00 C ATOM 1047 SG CYS A 67 -8.534 5.395 -6.923 1.00 0.00 S ATOM 0 H CYS A 67 -10.726 1.900 -7.643 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.201 4.400 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -9.051 3.068 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.030 3.436 -8.246 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.517 5.193 -6.139 1.00 0.00 H new ATOM 1052 N ASP A 68 -11.598 6.167 -7.962 1.00 0.00 N ATOM 1053 CA ASP A 68 -12.036 7.255 -8.847 1.00 0.00 C ATOM 1054 C ASP A 68 -10.857 7.943 -9.571 1.00 0.00 C ATOM 1055 O ASP A 68 -11.068 8.735 -10.494 1.00 0.00 O ATOM 1056 CB ASP A 68 -12.864 8.252 -8.021 1.00 0.00 C ATOM 1057 CG ASP A 68 -13.615 9.271 -8.900 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -14.454 8.850 -9.733 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -13.415 10.497 -8.723 1.00 0.00 O ATOM 0 H ASP A 68 -11.429 6.477 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.654 6.837 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.583 7.704 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.205 8.785 -7.335 1.00 0.00 H new ATOM 1064 N TYR A 69 -9.617 7.636 -9.167 1.00 0.00 N ATOM 1065 CA TYR A 69 -8.393 8.330 -9.596 1.00 0.00 C ATOM 1066 C TYR A 69 -7.373 7.419 -10.312 1.00 0.00 C ATOM 1067 O TYR A 69 -6.519 7.928 -11.044 1.00 0.00 O ATOM 1068 CB TYR A 69 -7.752 8.983 -8.366 1.00 0.00 C ATOM 1069 CG TYR A 69 -8.628 9.966 -7.611 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -8.689 11.312 -8.022 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -9.365 9.537 -6.491 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -9.484 12.231 -7.310 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -10.165 10.452 -5.780 1.00 0.00 C ATOM 1074 CZ TYR A 69 -10.223 11.804 -6.183 1.00 0.00 C ATOM 1075 OH TYR A 69 -10.985 12.687 -5.478 1.00 0.00 O ATOM 0 H TYR A 69 -9.431 6.875 -8.513 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.683 9.076 -10.336 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.445 8.195 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.846 9.500 -8.683 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.126 11.639 -8.883 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.317 8.505 -6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.529 13.263 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.735 10.119 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.424 12.221 -4.736 1.00 0.00 H new ATOM 1085 N CYS A 70 -7.449 6.094 -10.121 1.00 0.00 N ATOM 1086 CA CYS A 70 -6.618 5.085 -10.795 1.00 0.00 C ATOM 1087 C CYS A 70 -7.382 3.759 -11.041 1.00 0.00 C ATOM 1088 O CYS A 70 -8.592 3.664 -10.820 1.00 0.00 O ATOM 1089 CB CYS A 70 -5.310 4.889 -10.007 1.00 0.00 C ATOM 1090 SG CYS A 70 -5.591 4.030 -8.438 1.00 0.00 S ATOM 0 H CYS A 70 -8.115 5.680 -9.469 1.00 0.00 H new ATOM 0 HA CYS A 70 -6.362 5.449 -11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.604 4.320 -10.611 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.854 5.860 -9.813 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.656 4.509 -7.866 1.00 0.00 H new ATOM 1095 N SER A 71 -6.671 2.730 -11.515 1.00 0.00 N ATOM 1096 CA SER A 71 -7.214 1.395 -11.830 1.00 0.00 C ATOM 1097 C SER A 71 -7.395 0.471 -10.609 1.00 0.00 C ATOM 1098 O SER A 71 -7.806 -0.681 -10.767 1.00 0.00 O ATOM 1099 CB SER A 71 -6.325 0.704 -12.876 1.00 0.00 C ATOM 1100 OG SER A 71 -6.170 1.517 -14.032 1.00 0.00 O ATOM 0 H SER A 71 -5.670 2.801 -11.697 1.00 0.00 H new ATOM 0 HA SER A 71 -8.216 1.569 -12.222 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.347 0.491 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.765 -0.253 -13.157 1.00 0.00 H new ATOM 0 HG SER A 71 -5.599 1.056 -14.682 1.00 0.00 H new ATOM 1106 N PHE A 72 -7.076 0.936 -9.394 1.00 0.00 N ATOM 1107 CA PHE A 72 -7.127 0.141 -8.158 1.00 0.00 C ATOM 1108 C PHE A 72 -8.544 -0.349 -7.793 1.00 0.00 C ATOM 1109 O PHE A 72 -9.535 0.369 -7.961 1.00 0.00 O ATOM 1110 CB PHE A 72 -6.531 0.975 -7.017 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.531 0.325 -5.645 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -5.534 -0.607 -5.302 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -7.510 0.679 -4.699 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -5.515 -1.177 -4.015 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.487 0.118 -3.409 1.00 0.00 C ATOM 1116 CZ PHE A 72 -6.489 -0.811 -3.068 1.00 0.00 C ATOM 0 H PHE A 72 -6.769 1.896 -9.239 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.543 -0.764 -8.323 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.503 1.228 -7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.083 1.913 -6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.783 -0.885 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.283 1.385 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.752 -1.896 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.234 0.401 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.470 -1.244 -2.079 1.00 0.00 H new ATOM 1126 N THR A 73 -8.621 -1.557 -7.224 1.00 0.00 N ATOM 1127 CA THR A 73 -9.831 -2.131 -6.609 1.00 0.00 C ATOM 1128 C THR A 73 -9.523 -2.784 -5.256 1.00 0.00 C ATOM 1129 O THR A 73 -8.405 -3.251 -5.020 1.00 0.00 O ATOM 1130 CB THR A 73 -10.538 -3.160 -7.511 1.00 0.00 C ATOM 1131 OG1 THR A 73 -9.679 -4.224 -7.866 1.00 0.00 O ATOM 1132 CG2 THR A 73 -11.088 -2.569 -8.807 1.00 0.00 C ATOM 0 H THR A 73 -7.819 -2.185 -7.175 1.00 0.00 H new ATOM 0 HA THR A 73 -10.505 -1.287 -6.464 1.00 0.00 H new ATOM 0 HB THR A 73 -11.371 -3.516 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.162 -4.858 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.571 -3.354 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.815 -1.791 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.271 -2.139 -9.386 1.00 0.00 H new ATOM 1140 N CYS A 74 -10.519 -2.835 -4.365 1.00 0.00 N ATOM 1141 CA CYS A 74 -10.415 -3.465 -3.045 1.00 0.00 C ATOM 1142 C CYS A 74 -11.725 -4.159 -2.624 1.00 0.00 C ATOM 1143 O CYS A 74 -12.804 -3.812 -3.103 1.00 0.00 O ATOM 1144 CB CYS A 74 -9.997 -2.389 -2.030 1.00 0.00 C ATOM 1145 SG CYS A 74 -9.441 -3.164 -0.485 1.00 0.00 S ATOM 0 H CYS A 74 -11.438 -2.431 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.663 -4.253 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.197 -1.777 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.836 -1.723 -1.829 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.509 -2.436 0.055 1.00 0.00 H new ATOM 1151 N LEU A 75 -11.634 -5.111 -1.690 1.00 0.00 N ATOM 1152 CA LEU A 75 -12.767 -5.825 -1.078 1.00 0.00 C ATOM 1153 C LEU A 75 -13.462 -5.024 0.049 1.00 0.00 C ATOM 1154 O LEU A 75 -14.474 -5.476 0.588 1.00 0.00 O ATOM 1155 CB LEU A 75 -12.277 -7.208 -0.591 1.00 0.00 C ATOM 1156 CG LEU A 75 -12.368 -8.335 -1.641 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -11.657 -8.020 -2.957 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -11.757 -9.617 -1.070 1.00 0.00 C ATOM 0 H LEU A 75 -10.734 -5.420 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.538 -5.956 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.241 -7.117 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.861 -7.497 0.283 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.429 -8.449 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.768 -8.862 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.097 -7.129 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.598 -7.845 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.822 -10.413 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.712 -9.441 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.302 -9.912 -0.173 1.00 0.00 H new ATOM 1170 N SER A 76 -12.946 -3.838 0.401 1.00 0.00 N ATOM 1171 CA SER A 76 -13.515 -2.932 1.410 1.00 0.00 C ATOM 1172 C SER A 76 -13.553 -1.484 0.921 1.00 0.00 C ATOM 1173 O SER A 76 -12.537 -0.936 0.481 1.00 0.00 O ATOM 1174 CB SER A 76 -12.712 -3.029 2.713 1.00 0.00 C ATOM 1175 OG SER A 76 -13.115 -2.017 3.625 1.00 0.00 O ATOM 0 H SER A 76 -12.094 -3.471 -0.022 1.00 0.00 H new ATOM 0 HA SER A 76 -14.544 -3.243 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.857 -4.011 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.648 -2.930 2.499 1.00 0.00 H new ATOM 0 HG SER A 76 -12.594 -2.095 4.451 1.00 0.00 H new ATOM 1181 N LYS A 77 -14.710 -0.827 1.077 1.00 0.00 N ATOM 1182 CA LYS A 77 -14.871 0.616 0.831 1.00 0.00 C ATOM 1183 C LYS A 77 -14.159 1.491 1.873 1.00 0.00 C ATOM 1184 O LYS A 77 -13.816 2.634 1.576 1.00 0.00 O ATOM 1185 CB LYS A 77 -16.356 0.980 0.613 1.00 0.00 C ATOM 1186 CG LYS A 77 -17.390 0.523 1.663 1.00 0.00 C ATOM 1187 CD LYS A 77 -17.370 1.232 3.029 1.00 0.00 C ATOM 1188 CE LYS A 77 -17.533 2.754 2.907 1.00 0.00 C ATOM 1189 NZ LYS A 77 -17.675 3.398 4.241 1.00 0.00 N ATOM 0 H LYS A 77 -15.570 -1.285 1.380 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.356 0.847 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.423 2.065 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.659 0.570 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.384 0.647 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.247 -0.544 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.170 0.834 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.431 1.010 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.670 3.173 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.409 2.979 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.783 4.425 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.513 3.016 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.828 3.204 4.812 1.00 0.00 H new ATOM 1203 N GLY A 78 -13.871 0.950 3.060 1.00 0.00 N ATOM 1204 CA GLY A 78 -13.071 1.615 4.095 1.00 0.00 C ATOM 1205 C GLY A 78 -11.583 1.631 3.740 1.00 0.00 C ATOM 1206 O GLY A 78 -10.941 2.679 3.795 1.00 0.00 O ATOM 0 H GLY A 78 -14.192 0.022 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.424 2.638 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.212 1.104 5.048 1.00 0.00 H new ATOM 1210 N HIS A 79 -11.049 0.502 3.266 1.00 0.00 N ATOM 1211 CA HIS A 79 -9.674 0.435 2.763 1.00 0.00 C ATOM 1212 C HIS A 79 -9.500 1.264 1.476 1.00 0.00 C ATOM 1213 O HIS A 79 -8.469 1.913 1.298 1.00 0.00 O ATOM 1214 CB HIS A 79 -9.276 -1.031 2.557 1.00 0.00 C ATOM 1215 CG HIS A 79 -7.805 -1.210 2.271 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -7.176 -1.054 1.062 1.00 0.00 N flip ATOM 1217 CD2 HIS A 79 -6.831 -1.541 3.189 1.00 0.00 C flip ATOM 1218 CE1 HIS A 79 -5.808 -1.295 1.247 1.00 0.00 C flip ATOM 1219 NE2 HIS A 79 -5.648 -1.584 2.551 1.00 0.00 N flip ATOM 0 H HIS A 79 -11.552 -0.384 3.220 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.006 0.875 3.503 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.539 -1.601 3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.854 -1.446 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.991 -1.733 4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.036 -1.256 0.493 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.756 -1.805 2.993 1.00 0.00 H new ATOM 1227 N LEU A 80 -10.522 1.324 0.614 1.00 0.00 N ATOM 1228 CA LEU A 80 -10.525 2.199 -0.566 1.00 0.00 C ATOM 1229 C LEU A 80 -10.489 3.693 -0.189 1.00 0.00 C ATOM 1230 O LEU A 80 -9.746 4.459 -0.804 1.00 0.00 O ATOM 1231 CB LEU A 80 -11.743 1.864 -1.440 1.00 0.00 C ATOM 1232 CG LEU A 80 -11.831 2.707 -2.727 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -10.633 2.483 -3.649 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -13.098 2.334 -3.488 1.00 0.00 C ATOM 0 H LEU A 80 -11.371 0.767 0.714 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.614 2.014 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.707 0.808 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.651 2.013 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.842 3.755 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.741 3.099 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.716 2.758 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.586 1.433 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.163 2.929 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.069 1.276 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.969 2.531 -2.863 1.00 0.00 H new ATOM 1246 N LYS A 81 -11.225 4.113 0.848 1.00 0.00 N ATOM 1247 CA LYS A 81 -11.151 5.484 1.381 1.00 0.00 C ATOM 1248 C LYS A 81 -9.728 5.822 1.853 1.00 0.00 C ATOM 1249 O LYS A 81 -9.208 6.879 1.502 1.00 0.00 O ATOM 1250 CB LYS A 81 -12.212 5.653 2.482 1.00 0.00 C ATOM 1251 CG LYS A 81 -12.233 7.068 3.078 1.00 0.00 C ATOM 1252 CD LYS A 81 -13.374 7.215 4.096 1.00 0.00 C ATOM 1253 CE LYS A 81 -13.403 8.604 4.751 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.287 8.802 5.712 1.00 0.00 N ATOM 0 H LYS A 81 -11.888 3.515 1.342 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.373 6.202 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.195 5.422 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.022 4.932 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.279 7.278 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.354 7.801 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.326 7.032 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.267 6.454 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.351 9.369 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.353 8.738 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.468 9.651 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.215 7.973 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.396 8.921 5.189 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.059 4.899 2.548 1.00 0.00 N ATOM 1269 CA VAL A 82 -7.648 5.057 2.959 1.00 0.00 C ATOM 1270 C VAL A 82 -6.700 5.088 1.750 1.00 0.00 C ATOM 1271 O VAL A 82 -5.808 5.935 1.713 1.00 0.00 O ATOM 1272 CB VAL A 82 -7.237 3.969 3.973 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -5.758 4.059 4.371 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -8.058 4.089 5.264 1.00 0.00 C ATOM 0 H VAL A 82 -9.475 4.017 2.846 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.561 6.023 3.456 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.421 3.018 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.525 3.270 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.135 3.941 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.562 5.030 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.751 3.312 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.890 5.068 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.117 3.972 5.034 1.00 0.00 H new ATOM 1284 N HIS A 83 -6.911 4.254 0.724 1.00 0.00 N ATOM 1285 CA HIS A 83 -6.162 4.327 -0.541 1.00 0.00 C ATOM 1286 C HIS A 83 -6.265 5.727 -1.169 1.00 0.00 C ATOM 1287 O HIS A 83 -5.247 6.302 -1.548 1.00 0.00 O ATOM 1288 CB HIS A 83 -6.645 3.233 -1.512 1.00 0.00 C ATOM 1289 CG HIS A 83 -6.182 3.419 -2.940 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -5.031 2.919 -3.497 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -6.831 4.118 -3.924 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -4.975 3.308 -4.780 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -6.054 4.064 -5.101 1.00 0.00 N ATOM 0 H HIS A 83 -7.606 3.508 0.746 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.108 4.149 -0.329 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.296 2.265 -1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.735 3.205 -1.496 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.336 2.348 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.778 4.625 -3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.179 3.054 -5.464 1.00 0.00 H new ATOM 1301 N ILE A 84 -7.461 6.319 -1.226 1.00 0.00 N ATOM 1302 CA ILE A 84 -7.648 7.683 -1.743 1.00 0.00 C ATOM 1303 C ILE A 84 -6.910 8.705 -0.862 1.00 0.00 C ATOM 1304 O ILE A 84 -6.140 9.517 -1.381 1.00 0.00 O ATOM 1305 CB ILE A 84 -9.155 7.987 -1.939 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -9.742 7.060 -3.035 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -9.369 9.461 -2.324 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -11.271 7.092 -3.145 1.00 0.00 C ATOM 0 H ILE A 84 -8.324 5.872 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.196 7.766 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.671 7.801 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.315 7.342 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.426 6.036 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.434 9.652 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.981 10.104 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.844 9.674 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.593 6.415 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.711 6.779 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.598 8.105 -3.380 1.00 0.00 H new ATOM 1320 N GLU A 85 -7.057 8.630 0.463 1.00 0.00 N ATOM 1321 CA GLU A 85 -6.427 9.562 1.412 1.00 0.00 C ATOM 1322 C GLU A 85 -4.892 9.467 1.498 1.00 0.00 C ATOM 1323 O GLU A 85 -4.258 10.411 1.976 1.00 0.00 O ATOM 1324 CB GLU A 85 -7.035 9.378 2.813 1.00 0.00 C ATOM 1325 CG GLU A 85 -8.460 9.938 2.905 1.00 0.00 C ATOM 1326 CD GLU A 85 -8.965 9.940 4.360 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -8.649 10.891 5.115 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -9.705 9.007 4.753 1.00 0.00 O ATOM 0 H GLU A 85 -7.623 7.913 0.916 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.639 10.556 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.046 8.318 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.403 9.875 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.481 10.953 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.129 9.340 2.286 1.00 0.00 H new ATOM 1335 N ARG A 86 -4.271 8.351 1.091 1.00 0.00 N ATOM 1336 CA ARG A 86 -2.803 8.159 1.077 1.00 0.00 C ATOM 1337 C ARG A 86 -2.160 8.272 -0.309 1.00 0.00 C ATOM 1338 O ARG A 86 -1.058 8.812 -0.418 1.00 0.00 O ATOM 1339 CB ARG A 86 -2.446 6.825 1.763 1.00 0.00 C ATOM 1340 CG ARG A 86 -2.904 6.675 3.230 1.00 0.00 C ATOM 1341 CD ARG A 86 -2.264 7.654 4.226 1.00 0.00 C ATOM 1342 NE ARG A 86 -2.792 9.024 4.085 1.00 0.00 N ATOM 1343 CZ ARG A 86 -2.584 10.065 4.863 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -1.893 9.994 5.964 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -3.084 11.214 4.514 1.00 0.00 N ATOM 0 H ARG A 86 -4.781 7.535 0.754 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.377 8.988 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.882 6.012 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.364 6.698 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.986 6.800 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.688 5.658 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.441 7.302 5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.184 7.666 4.077 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.397 9.186 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.487 9.105 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.758 10.828 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.625 11.295 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.936 12.034 5.102 1.00 0.00 H new ATOM 1359 N VAL A 87 -2.822 7.793 -1.365 1.00 0.00 N ATOM 1360 CA VAL A 87 -2.261 7.747 -2.732 1.00 0.00 C ATOM 1361 C VAL A 87 -2.615 8.994 -3.547 1.00 0.00 C ATOM 1362 O VAL A 87 -1.763 9.478 -4.296 1.00 0.00 O ATOM 1363 CB VAL A 87 -2.668 6.450 -3.469 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -1.999 6.327 -4.844 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -2.261 5.205 -2.663 1.00 0.00 C ATOM 0 H VAL A 87 -3.770 7.422 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.176 7.739 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.750 6.507 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.317 5.400 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.289 7.174 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.916 6.320 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.559 4.307 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.180 5.201 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.755 5.223 -1.691 1.00 0.00 H new ATOM 1375 N HIS A 88 -3.824 9.548 -3.388 1.00 0.00 N ATOM 1376 CA HIS A 88 -4.352 10.605 -4.268 1.00 0.00 C ATOM 1377 C HIS A 88 -4.556 11.968 -3.582 1.00 0.00 C ATOM 1378 O HIS A 88 -4.343 13.004 -4.219 1.00 0.00 O ATOM 1379 CB HIS A 88 -5.635 10.095 -4.937 1.00 0.00 C ATOM 1380 CG HIS A 88 -5.414 8.832 -5.734 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -4.624 8.697 -6.852 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -5.962 7.605 -5.482 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -4.700 7.426 -7.278 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -5.520 6.707 -6.475 1.00 0.00 N ATOM 0 H HIS A 88 -4.467 9.277 -2.644 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.593 10.810 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -6.390 9.910 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.030 10.870 -5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.622 7.364 -4.661 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.181 7.033 -8.139 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.766 5.722 -6.569 1.00 0.00 H new