USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1058 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 120 ASN : amide:sc= -0.682 X(o=-0.83,f=-0.85) USER MOD Set 1.2: A 122 CYS SG : rot -104:sc= -0.144 USER MOD Set 2.1: A 104 GLN : amide:sc= -1.36 K(o=-0.25,f=-2.4!) USER MOD Set 2.2: A 119 SER OG : rot 166:sc= 1.11 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.37 K(o=-2.4,f=-9.4!) USER MOD Single : A 24 SER OG : rot -45:sc= 0.333 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 162:sc= -2.66 (180deg=-3.87!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -83:sc= 1.21 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 51 HIS : no HD1:sc= -0.0513 K(o=-0.051,f=-0.59) USER MOD Single : A 59 SER OG : rot -170:sc= -1.54 USER MOD Single : A 63 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 80 TYR OH : rot -39:sc= 0.844 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 130:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -158:sc= -0.0181 (180deg=-0.755) USER MOD Single : A 121 SER OG : rot -32:sc= 0.908 USER MOD Single : A 126 CYS SG : rot 21:sc= -3.68! USER MOD Single : A 127 ASN : amide:sc= 1.14 K(o=1.1,f=-0.54) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.016) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 133:sc= -0.32 (180deg=-1.14!) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 CYS SG : rot -46:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 9 -6.608 -10.700 10.393 1.00 0.00 N ATOM 88 CA ASP A 9 -7.559 -9.617 10.616 1.00 0.00 C ATOM 89 C ASP A 9 -8.398 -9.365 9.368 1.00 0.00 C ATOM 90 O ASP A 9 -7.891 -9.409 8.246 1.00 0.00 O ATOM 91 CB ASP A 9 -6.821 -8.338 11.019 1.00 0.00 C ATOM 92 CG ASP A 9 -6.859 -8.098 12.515 1.00 0.00 C ATOM 93 OD1 ASP A 9 -6.110 -8.780 13.245 1.00 0.00 O ATOM 94 OD2 ASP A 9 -7.636 -7.226 12.957 1.00 0.00 O ATOM 0 HA ASP A 9 -8.227 -9.912 11.425 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.784 -8.401 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.267 -7.487 10.505 1.00 0.00 H new ATOM 99 N ILE A 10 -9.685 -9.100 9.570 1.00 0.00 N ATOM 100 CA ILE A 10 -10.595 -8.840 8.462 1.00 0.00 C ATOM 101 C ILE A 10 -11.588 -7.736 8.814 1.00 0.00 C ATOM 102 O ILE A 10 -12.014 -7.614 9.963 1.00 0.00 O ATOM 103 CB ILE A 10 -11.371 -10.111 8.062 1.00 0.00 C ATOM 104 CG1 ILE A 10 -12.241 -9.844 6.832 1.00 0.00 C ATOM 105 CG2 ILE A 10 -12.221 -10.606 9.223 1.00 0.00 C ATOM 106 CD1 ILE A 10 -11.446 -9.618 5.566 1.00 0.00 C ATOM 0 H ILE A 10 -10.121 -9.060 10.491 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.984 -8.518 7.618 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.650 -10.889 7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.914 -10.689 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.864 -8.970 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.761 -11.504 8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.578 -10.837 10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.934 -9.832 9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.128 -9.435 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.793 -8.755 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.843 -10.501 5.352 1.00 0.00 H new ATOM 118 N VAL A 11 -11.952 -6.933 7.820 1.00 0.00 N ATOM 119 CA VAL A 11 -12.894 -5.840 8.026 1.00 0.00 C ATOM 120 C VAL A 11 -13.889 -5.747 6.873 1.00 0.00 C ATOM 121 O VAL A 11 -13.652 -5.044 5.891 1.00 0.00 O ATOM 122 CB VAL A 11 -12.166 -4.491 8.169 1.00 0.00 C ATOM 123 CG1 VAL A 11 -13.141 -3.398 8.580 1.00 0.00 C ATOM 124 CG2 VAL A 11 -11.026 -4.603 9.171 1.00 0.00 C ATOM 0 H VAL A 11 -11.609 -7.019 6.863 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.431 -6.055 8.950 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.743 -4.223 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.608 -2.452 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.919 -3.301 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.596 -3.657 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.523 -3.640 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.423 -4.895 10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.314 -5.354 8.830 1.00 0.00 H new ATOM 134 N GLY A 12 -15.002 -6.461 7.002 1.00 0.00 N ATOM 135 CA GLY A 12 -16.017 -6.445 5.963 1.00 0.00 C ATOM 136 C GLY A 12 -15.559 -7.138 4.695 1.00 0.00 C ATOM 137 O GLY A 12 -16.023 -8.234 4.377 1.00 0.00 O ATOM 0 H GLY A 12 -15.220 -7.050 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.920 -6.931 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.282 -5.413 5.734 1.00 0.00 H new ATOM 141 N ILE A 13 -14.648 -6.499 3.970 1.00 0.00 N ATOM 142 CA ILE A 13 -14.127 -7.061 2.729 1.00 0.00 C ATOM 143 C ILE A 13 -12.698 -6.595 2.472 1.00 0.00 C ATOM 144 O ILE A 13 -12.277 -6.457 1.324 1.00 0.00 O ATOM 145 CB ILE A 13 -15.006 -6.673 1.525 1.00 0.00 C ATOM 146 CG1 ILE A 13 -15.147 -5.153 1.436 1.00 0.00 C ATOM 147 CG2 ILE A 13 -16.373 -7.332 1.632 1.00 0.00 C ATOM 148 CD1 ILE A 13 -15.374 -4.648 0.028 1.00 0.00 C ATOM 0 H ILE A 13 -14.255 -5.592 4.220 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.138 -8.145 2.843 1.00 0.00 H new ATOM 0 HB ILE A 13 -14.524 -7.028 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.979 -4.836 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.247 -4.689 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.982 -7.048 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.254 -8.415 1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.864 -7.006 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.465 -3.562 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.531 -4.934 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -16.290 -5.084 -0.372 1.00 0.00 H new ATOM 160 N TRP A 14 -11.957 -6.355 3.549 1.00 0.00 N ATOM 161 CA TRP A 14 -10.574 -5.905 3.440 1.00 0.00 C ATOM 162 C TRP A 14 -9.666 -6.714 4.361 1.00 0.00 C ATOM 163 O TRP A 14 -9.463 -6.355 5.520 1.00 0.00 O ATOM 164 CB TRP A 14 -10.472 -4.417 3.782 1.00 0.00 C ATOM 165 CG TRP A 14 -11.182 -3.534 2.803 1.00 0.00 C ATOM 166 CD1 TRP A 14 -12.504 -3.194 2.815 1.00 0.00 C ATOM 167 CD2 TRP A 14 -10.607 -2.877 1.668 1.00 0.00 C ATOM 168 NE1 TRP A 14 -12.787 -2.365 1.756 1.00 0.00 N ATOM 169 CE2 TRP A 14 -11.639 -2.155 1.037 1.00 0.00 C ATOM 170 CE3 TRP A 14 -9.321 -2.826 1.123 1.00 0.00 C ATOM 171 CZ2 TRP A 14 -11.423 -1.395 -0.110 1.00 0.00 C ATOM 172 CZ3 TRP A 14 -9.108 -2.072 -0.016 1.00 0.00 C ATOM 173 CH2 TRP A 14 -10.154 -1.365 -0.620 1.00 0.00 C ATOM 0 H TRP A 14 -12.291 -6.465 4.507 1.00 0.00 H new ATOM 0 HA TRP A 14 -10.247 -6.057 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -10.885 -4.251 4.777 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -9.421 -4.132 3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.222 -3.528 3.549 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -13.702 -1.970 1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.507 -3.366 1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.228 -0.849 -0.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.119 -2.028 -0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -9.955 -0.783 -1.508 1.00 0.00 H new ATOM 184 N TRP A 15 -9.122 -7.807 3.835 1.00 0.00 N ATOM 185 CA TRP A 15 -8.235 -8.667 4.611 1.00 0.00 C ATOM 186 C TRP A 15 -6.799 -8.155 4.561 1.00 0.00 C ATOM 187 O TRP A 15 -6.301 -7.776 3.501 1.00 0.00 O ATOM 188 CB TRP A 15 -8.294 -10.103 4.085 1.00 0.00 C ATOM 189 CG TRP A 15 -7.853 -10.234 2.660 1.00 0.00 C ATOM 190 CD1 TRP A 15 -8.605 -10.005 1.544 1.00 0.00 C ATOM 191 CD2 TRP A 15 -6.556 -10.629 2.196 1.00 0.00 C ATOM 192 NE1 TRP A 15 -7.855 -10.231 0.415 1.00 0.00 N ATOM 193 CE2 TRP A 15 -6.594 -10.616 0.789 1.00 0.00 C ATOM 194 CE3 TRP A 15 -5.366 -10.990 2.834 1.00 0.00 C ATOM 195 CZ2 TRP A 15 -5.489 -10.950 0.010 1.00 0.00 C ATOM 196 CZ3 TRP A 15 -4.269 -11.323 2.061 1.00 0.00 C ATOM 197 CH2 TRP A 15 -4.337 -11.300 0.661 1.00 0.00 C ATOM 0 H TRP A 15 -9.279 -8.118 2.876 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.572 -8.652 5.648 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.667 -10.737 4.711 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -9.315 -10.474 4.177 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.639 -9.692 1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.183 -10.129 -0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.304 -11.009 3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.539 -10.933 -1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.345 -11.605 2.544 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.463 -11.564 0.084 1.00 0.00 H new ATOM 208 N THR A 16 -6.140 -8.145 5.715 1.00 0.00 N ATOM 209 CA THR A 16 -4.761 -7.679 5.804 1.00 0.00 C ATOM 210 C THR A 16 -3.805 -8.682 5.168 1.00 0.00 C ATOM 211 O THR A 16 -3.960 -9.893 5.335 1.00 0.00 O ATOM 212 CB THR A 16 -4.375 -7.442 7.264 1.00 0.00 C ATOM 213 OG1 THR A 16 -5.512 -7.091 8.033 1.00 0.00 O ATOM 214 CG2 THR A 16 -3.346 -6.347 7.442 1.00 0.00 C ATOM 0 H THR A 16 -6.539 -8.454 6.601 1.00 0.00 H new ATOM 0 HA THR A 16 -4.685 -6.738 5.259 1.00 0.00 H new ATOM 0 HB THR A 16 -3.943 -8.383 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.245 -6.945 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.118 -6.231 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.437 -6.611 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.741 -5.409 7.051 1.00 0.00 H new ATOM 222 N VAL A 17 -2.818 -8.172 4.441 1.00 0.00 N ATOM 223 CA VAL A 17 -1.836 -9.023 3.780 1.00 0.00 C ATOM 224 C VAL A 17 -0.823 -9.572 4.779 1.00 0.00 C ATOM 225 O VAL A 17 -0.827 -9.198 5.953 1.00 0.00 O ATOM 226 CB VAL A 17 -1.086 -8.262 2.672 1.00 0.00 C ATOM 227 CG1 VAL A 17 -2.037 -7.881 1.548 1.00 0.00 C ATOM 228 CG2 VAL A 17 -0.399 -7.030 3.242 1.00 0.00 C ATOM 0 H VAL A 17 -2.676 -7.173 4.294 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.387 -9.850 3.332 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.319 -8.918 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.489 -7.344 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.477 -8.783 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.828 -7.243 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.126 -6.505 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.145 -6.369 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.315 -7.333 4.008 1.00 0.00 H new ATOM 238 N SER A 18 0.046 -10.459 4.306 1.00 0.00 N ATOM 239 CA SER A 18 1.067 -11.059 5.156 1.00 0.00 C ATOM 240 C SER A 18 2.447 -10.931 4.520 1.00 0.00 C ATOM 241 O SER A 18 3.416 -10.560 5.184 1.00 0.00 O ATOM 242 CB SER A 18 0.746 -12.532 5.413 1.00 0.00 C ATOM 243 OG SER A 18 -0.504 -12.676 6.065 1.00 0.00 O ATOM 0 H SER A 18 0.063 -10.778 3.337 1.00 0.00 H new ATOM 0 HA SER A 18 1.073 -10.525 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.731 -13.074 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.531 -12.977 6.024 1.00 0.00 H new ATOM 0 HG SER A 18 -0.686 -13.627 6.216 1.00 0.00 H new ATOM 249 N ASN A 19 2.530 -11.241 3.231 1.00 0.00 N ATOM 250 CA ASN A 19 3.792 -11.161 2.504 1.00 0.00 C ATOM 251 C ASN A 19 3.644 -10.303 1.252 1.00 0.00 C ATOM 252 O ASN A 19 2.575 -9.757 0.983 1.00 0.00 O ATOM 253 CB ASN A 19 4.275 -12.561 2.123 1.00 0.00 C ATOM 254 CG ASN A 19 3.190 -13.387 1.461 1.00 0.00 C ATOM 255 OD1 ASN A 19 2.110 -13.580 2.021 1.00 0.00 O ATOM 256 ND2 ASN A 19 3.471 -13.881 0.261 1.00 0.00 N ATOM 0 H ASN A 19 1.738 -11.550 2.668 1.00 0.00 H new ATOM 0 HA ASN A 19 4.530 -10.695 3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.127 -12.477 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.626 -13.077 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.779 -14.445 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.378 -13.697 -0.167 1.00 0.00 H new ATOM 263 N PHE A 20 4.727 -10.188 0.489 1.00 0.00 N ATOM 264 CA PHE A 20 4.719 -9.397 -0.735 1.00 0.00 C ATOM 265 C PHE A 20 3.857 -10.059 -1.806 1.00 0.00 C ATOM 266 O PHE A 20 3.104 -9.389 -2.513 1.00 0.00 O ATOM 267 CB PHE A 20 6.147 -9.213 -1.255 1.00 0.00 C ATOM 268 CG PHE A 20 6.232 -8.378 -2.500 1.00 0.00 C ATOM 269 CD1 PHE A 20 6.345 -6.999 -2.421 1.00 0.00 C ATOM 270 CD2 PHE A 20 6.198 -8.972 -3.751 1.00 0.00 C ATOM 271 CE1 PHE A 20 6.424 -6.229 -3.565 1.00 0.00 C ATOM 272 CE2 PHE A 20 6.276 -8.207 -4.900 1.00 0.00 C ATOM 273 CZ PHE A 20 6.390 -6.834 -4.807 1.00 0.00 C ATOM 0 H PHE A 20 5.621 -10.633 0.698 1.00 0.00 H new ATOM 0 HA PHE A 20 4.293 -8.420 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.751 -8.750 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.581 -10.193 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.372 -6.521 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.110 -10.045 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.512 -5.155 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.248 -8.683 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.452 -6.234 -5.703 1.00 0.00 H new ATOM 283 N GLY A 21 3.974 -11.378 -1.920 1.00 0.00 N ATOM 284 CA GLY A 21 3.199 -12.108 -2.906 1.00 0.00 C ATOM 285 C GLY A 21 1.705 -11.937 -2.715 1.00 0.00 C ATOM 286 O GLY A 21 0.936 -12.029 -3.672 1.00 0.00 O ATOM 0 H GLY A 21 4.591 -11.954 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.475 -11.768 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.450 -13.167 -2.849 1.00 0.00 H new ATOM 290 N GLU A 22 1.293 -11.688 -1.476 1.00 0.00 N ATOM 291 CA GLU A 22 -0.119 -11.503 -1.164 1.00 0.00 C ATOM 292 C GLU A 22 -0.600 -10.125 -1.610 1.00 0.00 C ATOM 293 O GLU A 22 -1.761 -9.951 -1.979 1.00 0.00 O ATOM 294 CB GLU A 22 -0.359 -11.678 0.337 1.00 0.00 C ATOM 295 CG GLU A 22 -0.306 -13.125 0.797 1.00 0.00 C ATOM 296 CD GLU A 22 -1.538 -13.910 0.394 1.00 0.00 C ATOM 297 OE1 GLU A 22 -2.555 -13.831 1.115 1.00 0.00 O ATOM 298 OE2 GLU A 22 -1.488 -14.604 -0.644 1.00 0.00 O ATOM 0 H GLU A 22 1.917 -11.610 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.686 -12.259 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.388 -11.104 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.333 -11.260 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.579 -13.604 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.200 -13.154 1.881 1.00 0.00 H new ATOM 305 N ILE A 23 0.303 -9.151 -1.575 1.00 0.00 N ATOM 306 CA ILE A 23 -0.028 -7.789 -1.977 1.00 0.00 C ATOM 307 C ILE A 23 -0.193 -7.689 -3.490 1.00 0.00 C ATOM 308 O ILE A 23 0.785 -7.741 -4.236 1.00 0.00 O ATOM 309 CB ILE A 23 1.055 -6.789 -1.522 1.00 0.00 C ATOM 310 CG1 ILE A 23 1.360 -6.975 -0.035 1.00 0.00 C ATOM 311 CG2 ILE A 23 0.610 -5.362 -1.803 1.00 0.00 C ATOM 312 CD1 ILE A 23 2.749 -6.519 0.357 1.00 0.00 C ATOM 0 H ILE A 23 1.269 -9.279 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.971 -7.536 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 23 1.967 -6.982 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.626 -6.422 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.245 -8.028 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.385 -4.668 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.439 -5.238 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.313 -5.156 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.897 -6.680 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.491 -7.090 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.861 -5.459 0.131 1.00 0.00 H new ATOM 324 N SER A 24 -1.437 -7.546 -3.936 1.00 0.00 N ATOM 325 CA SER A 24 -1.729 -7.439 -5.361 1.00 0.00 C ATOM 326 C SER A 24 -3.141 -6.907 -5.589 1.00 0.00 C ATOM 327 O SER A 24 -4.082 -7.303 -4.902 1.00 0.00 O ATOM 328 CB SER A 24 -1.569 -8.801 -6.039 1.00 0.00 C ATOM 329 OG SER A 24 -0.418 -9.476 -5.563 1.00 0.00 O ATOM 0 H SER A 24 -2.258 -7.502 -3.332 1.00 0.00 H new ATOM 0 HA SER A 24 -1.020 -6.737 -5.800 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.454 -9.409 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.495 -8.667 -7.118 1.00 0.00 H new ATOM 0 HG SER A 24 0.338 -8.854 -5.536 1.00 0.00 H new ATOM 335 N GLY A 25 -3.279 -6.009 -6.558 1.00 0.00 N ATOM 336 CA GLY A 25 -4.579 -5.437 -6.859 1.00 0.00 C ATOM 337 C GLY A 25 -4.876 -4.202 -6.034 1.00 0.00 C ATOM 338 O GLY A 25 -3.963 -3.557 -5.518 1.00 0.00 O ATOM 0 H GLY A 25 -2.515 -5.667 -7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.623 -5.182 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.352 -6.185 -6.679 1.00 0.00 H new ATOM 342 N THR A 26 -6.157 -3.870 -5.908 1.00 0.00 N ATOM 343 CA THR A 26 -6.573 -2.704 -5.139 1.00 0.00 C ATOM 344 C THR A 26 -6.378 -2.937 -3.646 1.00 0.00 C ATOM 345 O THR A 26 -6.954 -3.860 -3.070 1.00 0.00 O ATOM 346 CB THR A 26 -8.039 -2.375 -5.429 1.00 0.00 C ATOM 347 OG1 THR A 26 -8.275 -2.318 -6.825 1.00 0.00 O ATOM 348 CG2 THR A 26 -8.486 -1.057 -4.834 1.00 0.00 C ATOM 0 H THR A 26 -6.925 -4.393 -6.329 1.00 0.00 H new ATOM 0 HA THR A 26 -5.951 -1.861 -5.439 1.00 0.00 H new ATOM 0 HB THR A 26 -8.611 -3.178 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.218 -2.108 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.535 -0.885 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.365 -1.087 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.881 -0.249 -5.245 1.00 0.00 H new ATOM 356 N ILE A 27 -5.561 -2.094 -3.022 1.00 0.00 N ATOM 357 CA ILE A 27 -5.289 -2.208 -1.595 1.00 0.00 C ATOM 358 C ILE A 27 -5.281 -0.837 -0.926 1.00 0.00 C ATOM 359 O ILE A 27 -4.868 0.155 -1.526 1.00 0.00 O ATOM 360 CB ILE A 27 -3.939 -2.902 -1.333 1.00 0.00 C ATOM 361 CG1 ILE A 27 -2.805 -2.131 -2.011 1.00 0.00 C ATOM 362 CG2 ILE A 27 -3.979 -4.341 -1.825 1.00 0.00 C ATOM 363 CD1 ILE A 27 -1.427 -2.561 -1.558 1.00 0.00 C ATOM 0 H ILE A 27 -5.076 -1.324 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.089 -2.814 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.754 -2.912 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.881 -2.263 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.929 -1.067 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.018 -4.818 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.765 -4.883 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.183 -4.354 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.672 -1.972 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.331 -2.403 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.283 -3.618 -1.784 1.00 0.00 H new ATOM 375 N ALA A 28 -5.737 -0.790 0.321 1.00 0.00 N ATOM 376 CA ALA A 28 -5.781 0.458 1.072 1.00 0.00 C ATOM 377 C ALA A 28 -4.711 0.483 2.158 1.00 0.00 C ATOM 378 O ALA A 28 -4.171 -0.557 2.536 1.00 0.00 O ATOM 379 CB ALA A 28 -7.160 0.658 1.683 1.00 0.00 C ATOM 0 H ALA A 28 -6.081 -1.602 0.833 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.580 1.276 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.178 1.594 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.907 0.693 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.383 -0.170 2.356 1.00 0.00 H new ATOM 385 N ILE A 29 -4.407 1.677 2.656 1.00 0.00 N ATOM 386 CA ILE A 29 -3.401 1.837 3.699 1.00 0.00 C ATOM 387 C ILE A 29 -3.891 2.774 4.797 1.00 0.00 C ATOM 388 O ILE A 29 -4.466 3.826 4.519 1.00 0.00 O ATOM 389 CB ILE A 29 -2.078 2.384 3.126 1.00 0.00 C ATOM 390 CG1 ILE A 29 -1.651 1.573 1.902 1.00 0.00 C ATOM 391 CG2 ILE A 29 -0.991 2.361 4.189 1.00 0.00 C ATOM 392 CD1 ILE A 29 -0.640 2.282 1.029 1.00 0.00 C ATOM 0 H ILE A 29 -4.843 2.548 2.354 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.224 0.848 4.121 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.234 3.417 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.230 0.624 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.533 1.339 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.063 2.750 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.295 2.980 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.835 1.337 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.384 1.648 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.065 3.218 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.258 2.492 1.610 1.00 0.00 H new ATOM 404 N GLU A 30 -3.662 2.383 6.046 1.00 0.00 N ATOM 405 CA GLU A 30 -4.080 3.188 7.189 1.00 0.00 C ATOM 406 C GLU A 30 -2.875 3.650 8.000 1.00 0.00 C ATOM 407 O GLU A 30 -2.168 2.838 8.597 1.00 0.00 O ATOM 408 CB GLU A 30 -5.034 2.388 8.079 1.00 0.00 C ATOM 409 CG GLU A 30 -6.049 3.251 8.812 1.00 0.00 C ATOM 410 CD GLU A 30 -6.890 2.456 9.792 1.00 0.00 C ATOM 411 OE1 GLU A 30 -6.435 2.252 10.936 1.00 0.00 O ATOM 412 OE2 GLU A 30 -8.004 2.038 9.414 1.00 0.00 O ATOM 0 H GLU A 30 -3.189 1.514 6.293 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.598 4.069 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.564 1.659 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.452 1.827 8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.527 4.044 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.703 3.733 8.085 1.00 0.00 H new ATOM 419 N MET A 31 -2.646 4.958 8.019 1.00 0.00 N ATOM 420 CA MET A 31 -1.526 5.529 8.758 1.00 0.00 C ATOM 421 C MET A 31 -1.879 5.699 10.232 1.00 0.00 C ATOM 422 O MET A 31 -1.128 5.278 11.112 1.00 0.00 O ATOM 423 CB MET A 31 -1.125 6.878 8.157 1.00 0.00 C ATOM 424 CG MET A 31 -0.238 6.758 6.929 1.00 0.00 C ATOM 425 SD MET A 31 0.241 8.362 6.260 1.00 0.00 S ATOM 426 CE MET A 31 1.038 7.868 4.734 1.00 0.00 C ATOM 0 H MET A 31 -3.222 5.644 7.531 1.00 0.00 H new ATOM 0 HA MET A 31 -0.683 4.842 8.682 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.026 7.430 7.891 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.605 7.464 8.915 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.658 6.194 7.187 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.763 6.190 6.161 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.102 8.725 4.063 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.041 7.500 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.456 7.078 4.259 1.00 0.00 H new ATOM 436 N ASP A 32 -3.023 6.320 10.492 1.00 0.00 N ATOM 437 CA ASP A 32 -3.477 6.547 11.861 1.00 0.00 C ATOM 438 C ASP A 32 -4.604 5.586 12.227 1.00 0.00 C ATOM 439 O ASP A 32 -5.015 4.758 11.414 1.00 0.00 O ATOM 440 CB ASP A 32 -3.947 7.993 12.030 1.00 0.00 C ATOM 441 CG ASP A 32 -3.540 8.579 13.368 1.00 0.00 C ATOM 442 OD1 ASP A 32 -4.253 8.341 14.364 1.00 0.00 O ATOM 443 OD2 ASP A 32 -2.506 9.279 13.418 1.00 0.00 O ATOM 0 H ASP A 32 -3.654 6.676 9.774 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.637 6.364 12.532 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.532 8.603 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.032 8.033 11.933 1.00 0.00 H new ATOM 448 N LYS A 33 -5.098 5.702 13.454 1.00 0.00 N ATOM 449 CA LYS A 33 -6.177 4.845 13.929 1.00 0.00 C ATOM 450 C LYS A 33 -7.501 5.228 13.277 1.00 0.00 C ATOM 451 O LYS A 33 -8.312 5.943 13.866 1.00 0.00 O ATOM 452 CB LYS A 33 -6.292 4.932 15.454 1.00 0.00 C ATOM 453 CG LYS A 33 -6.056 3.606 16.158 1.00 0.00 C ATOM 454 CD LYS A 33 -4.573 3.287 16.261 1.00 0.00 C ATOM 455 CE LYS A 33 -4.338 1.943 16.933 1.00 0.00 C ATOM 456 NZ LYS A 33 -4.050 0.870 15.942 1.00 0.00 N ATOM 0 H LYS A 33 -4.768 6.382 14.139 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.944 3.817 13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.573 5.663 15.823 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.284 5.301 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.492 3.640 17.156 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.564 2.809 15.615 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.131 3.279 15.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.069 4.071 16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.504 2.027 17.630 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.217 1.671 17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.896 -0.030 16.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.856 0.772 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.197 1.117 15.401 1.00 0.00 H new ATOM 470 N GLY A 34 -7.714 4.750 12.055 1.00 0.00 N ATOM 471 CA GLY A 34 -8.942 5.053 11.343 1.00 0.00 C ATOM 472 C GLY A 34 -8.727 6.039 10.211 1.00 0.00 C ATOM 473 O GLY A 34 -9.469 6.039 9.230 1.00 0.00 O ATOM 0 H GLY A 34 -7.058 4.158 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.363 4.131 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.673 5.460 12.042 1.00 0.00 H new ATOM 477 N ALA A 35 -7.708 6.883 10.348 1.00 0.00 N ATOM 478 CA ALA A 35 -7.398 7.877 9.329 1.00 0.00 C ATOM 479 C ALA A 35 -6.739 7.232 8.114 1.00 0.00 C ATOM 480 O ALA A 35 -5.820 6.424 8.251 1.00 0.00 O ATOM 481 CB ALA A 35 -6.500 8.961 9.906 1.00 0.00 C ATOM 0 H ALA A 35 -7.084 6.897 11.155 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.334 8.331 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.276 9.697 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.008 9.450 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.572 8.514 10.261 1.00 0.00 H new ATOM 487 N TYR A 36 -7.213 7.594 6.927 1.00 0.00 N ATOM 488 CA TYR A 36 -6.669 7.051 5.688 1.00 0.00 C ATOM 489 C TYR A 36 -6.060 8.155 4.830 1.00 0.00 C ATOM 490 O TYR A 36 -6.514 9.298 4.860 1.00 0.00 O ATOM 491 CB TYR A 36 -7.762 6.323 4.902 1.00 0.00 C ATOM 492 CG TYR A 36 -8.327 5.119 5.623 1.00 0.00 C ATOM 493 CD1 TYR A 36 -9.311 5.264 6.592 1.00 0.00 C ATOM 494 CD2 TYR A 36 -7.873 3.838 5.334 1.00 0.00 C ATOM 495 CE1 TYR A 36 -9.829 4.167 7.253 1.00 0.00 C ATOM 496 CE2 TYR A 36 -8.387 2.735 5.990 1.00 0.00 C ATOM 497 CZ TYR A 36 -9.364 2.905 6.949 1.00 0.00 C ATOM 498 OH TYR A 36 -9.878 1.810 7.604 1.00 0.00 O ATOM 0 H TYR A 36 -7.973 8.262 6.797 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.883 6.342 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.571 7.021 4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.356 6.004 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.678 6.251 6.833 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.107 3.702 4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.594 4.297 8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.026 1.745 5.753 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.423 1.701 8.465 1.00 0.00 H new ATOM 508 N ILE A 37 -5.030 7.804 4.068 1.00 0.00 N ATOM 509 CA ILE A 37 -4.358 8.765 3.201 1.00 0.00 C ATOM 510 C ILE A 37 -5.321 9.334 2.164 1.00 0.00 C ATOM 511 O ILE A 37 -5.571 8.714 1.130 1.00 0.00 O ATOM 512 CB ILE A 37 -3.157 8.125 2.477 1.00 0.00 C ATOM 513 CG1 ILE A 37 -2.251 7.404 3.479 1.00 0.00 C ATOM 514 CG2 ILE A 37 -2.374 9.184 1.713 1.00 0.00 C ATOM 515 CD1 ILE A 37 -1.807 6.034 3.013 1.00 0.00 C ATOM 0 H ILE A 37 -4.642 6.861 4.033 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.998 9.572 3.840 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.532 7.391 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.370 8.018 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.779 7.303 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.529 8.717 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.024 9.655 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.008 9.939 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.168 5.581 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.681 5.404 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.251 6.129 2.080 1.00 0.00 H new ATOM 527 N HIS A 38 -5.857 10.516 2.446 1.00 0.00 N ATOM 528 CA HIS A 38 -6.792 11.169 1.537 1.00 0.00 C ATOM 529 C HIS A 38 -6.050 11.840 0.385 1.00 0.00 C ATOM 530 O HIS A 38 -4.963 12.386 0.567 1.00 0.00 O ATOM 531 CB HIS A 38 -7.631 12.203 2.290 1.00 0.00 C ATOM 532 CG HIS A 38 -8.875 12.609 1.562 1.00 0.00 C ATOM 533 ND1 HIS A 38 -10.032 11.861 1.543 1.00 0.00 N ATOM 534 CD2 HIS A 38 -9.131 13.715 0.818 1.00 0.00 C ATOM 535 CE1 HIS A 38 -10.934 12.520 0.803 1.00 0.00 C ATOM 536 NE2 HIS A 38 -10.437 13.651 0.341 1.00 0.00 N ATOM 0 H HIS A 38 -5.660 11.042 3.297 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.453 10.406 1.125 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.906 11.797 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.022 13.088 2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -8.433 14.517 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.937 12.170 0.610 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.912 14.337 -0.245 1.00 0.00 H new ATOM 544 N ALA A 39 -6.648 11.795 -0.802 1.00 0.00 N ATOM 545 CA ALA A 39 -6.046 12.399 -1.984 1.00 0.00 C ATOM 546 C ALA A 39 -6.777 13.676 -2.380 1.00 0.00 C ATOM 547 O ALA A 39 -8.007 13.713 -2.418 1.00 0.00 O ATOM 548 CB ALA A 39 -6.045 11.409 -3.139 1.00 0.00 C ATOM 0 H ALA A 39 -7.549 11.346 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.016 12.661 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.593 11.873 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.472 10.525 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.070 11.119 -3.370 1.00 0.00 H new ATOM 554 N LEU A 40 -6.014 14.723 -2.674 1.00 0.00 N ATOM 555 CA LEU A 40 -6.590 16.003 -3.067 1.00 0.00 C ATOM 556 C LEU A 40 -6.672 16.119 -4.586 1.00 0.00 C ATOM 557 O LEU A 40 -5.802 15.627 -5.305 1.00 0.00 O ATOM 558 CB LEU A 40 -5.760 17.158 -2.501 1.00 0.00 C ATOM 559 CG LEU A 40 -5.918 17.391 -0.997 1.00 0.00 C ATOM 560 CD1 LEU A 40 -4.676 18.057 -0.427 1.00 0.00 C ATOM 561 CD2 LEU A 40 -7.154 18.234 -0.717 1.00 0.00 C ATOM 0 H LEU A 40 -4.994 14.710 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.600 16.057 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.708 16.969 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.033 18.073 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.043 16.424 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.807 18.215 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.810 17.417 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.520 19.017 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.252 18.391 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.058 19.198 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.039 17.718 -1.091 1.00 0.00 H new ATOM 573 N ASP A 41 -7.724 16.773 -5.069 1.00 0.00 N ATOM 574 CA ASP A 41 -7.921 16.954 -6.502 1.00 0.00 C ATOM 575 C ASP A 41 -6.740 17.695 -7.124 1.00 0.00 C ATOM 576 O ASP A 41 -6.411 17.490 -8.292 1.00 0.00 O ATOM 577 CB ASP A 41 -9.220 17.718 -6.767 1.00 0.00 C ATOM 578 CG ASP A 41 -10.165 16.955 -7.674 1.00 0.00 C ATOM 579 OD1 ASP A 41 -9.722 16.508 -8.753 1.00 0.00 O ATOM 580 OD2 ASP A 41 -11.350 16.803 -7.305 1.00 0.00 O ATOM 0 H ASP A 41 -8.453 17.186 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.989 15.969 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.717 17.923 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.986 18.682 -7.219 1.00 0.00 H new ATOM 585 N ASN A 42 -6.107 18.557 -6.336 1.00 0.00 N ATOM 586 CA ASN A 42 -4.963 19.329 -6.808 1.00 0.00 C ATOM 587 C ASN A 42 -3.766 18.422 -7.070 1.00 0.00 C ATOM 588 O ASN A 42 -3.019 18.623 -8.026 1.00 0.00 O ATOM 589 CB ASN A 42 -4.590 20.405 -5.787 1.00 0.00 C ATOM 590 CG ASN A 42 -3.669 21.459 -6.367 1.00 0.00 C ATOM 591 OD1 ASN A 42 -4.122 22.438 -6.961 1.00 0.00 O ATOM 592 ND2 ASN A 42 -2.367 21.264 -6.198 1.00 0.00 N ATOM 0 H ASN A 42 -6.367 18.739 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.243 19.810 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.498 20.883 -5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.107 19.936 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.698 21.940 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.035 20.438 -5.699 1.00 0.00 H new ATOM 599 N GLY A 43 -3.589 17.423 -6.210 1.00 0.00 N ATOM 600 CA GLY A 43 -2.480 16.499 -6.365 1.00 0.00 C ATOM 601 C GLY A 43 -1.818 16.158 -5.043 1.00 0.00 C ATOM 602 O GLY A 43 -1.176 15.116 -4.915 1.00 0.00 O ATOM 0 H GLY A 43 -4.193 17.237 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.838 15.583 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.740 16.934 -7.037 1.00 0.00 H new ATOM 606 N LEU A 44 -1.972 17.039 -4.059 1.00 0.00 N ATOM 607 CA LEU A 44 -1.384 16.825 -2.742 1.00 0.00 C ATOM 608 C LEU A 44 -2.137 15.740 -1.980 1.00 0.00 C ATOM 609 O LEU A 44 -3.218 15.317 -2.389 1.00 0.00 O ATOM 610 CB LEU A 44 -1.391 18.128 -1.940 1.00 0.00 C ATOM 611 CG LEU A 44 -0.479 19.230 -2.486 1.00 0.00 C ATOM 612 CD1 LEU A 44 -1.185 20.576 -2.453 1.00 0.00 C ATOM 613 CD2 LEU A 44 0.819 19.288 -1.694 1.00 0.00 C ATOM 0 H LEU A 44 -2.499 17.908 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.354 16.497 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.412 18.508 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.095 17.907 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.240 18.995 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.520 21.345 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.086 20.529 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.456 20.820 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.455 20.077 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.598 19.498 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.335 18.331 -1.771 1.00 0.00 H new ATOM 625 N PHE A 45 -1.559 15.295 -0.869 1.00 0.00 N ATOM 626 CA PHE A 45 -2.176 14.259 -0.049 1.00 0.00 C ATOM 627 C PHE A 45 -2.195 14.669 1.421 1.00 0.00 C ATOM 628 O PHE A 45 -1.167 15.040 1.985 1.00 0.00 O ATOM 629 CB PHE A 45 -1.426 12.935 -0.210 1.00 0.00 C ATOM 630 CG PHE A 45 -1.678 12.258 -1.527 1.00 0.00 C ATOM 631 CD1 PHE A 45 -1.131 12.761 -2.697 1.00 0.00 C ATOM 632 CD2 PHE A 45 -2.463 11.118 -1.595 1.00 0.00 C ATOM 633 CE1 PHE A 45 -1.363 12.140 -3.910 1.00 0.00 C ATOM 634 CE2 PHE A 45 -2.698 10.492 -2.804 1.00 0.00 C ATOM 635 CZ PHE A 45 -2.147 11.004 -3.963 1.00 0.00 C ATOM 0 H PHE A 45 -0.665 15.636 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.204 14.129 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.357 13.117 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.717 12.262 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.516 13.648 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.896 10.714 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.932 12.542 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.311 9.604 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.329 10.517 -4.909 1.00 0.00 H new ATOM 645 N THR A 46 -3.372 14.599 2.034 1.00 0.00 N ATOM 646 CA THR A 46 -3.525 14.963 3.438 1.00 0.00 C ATOM 647 C THR A 46 -4.134 13.814 4.236 1.00 0.00 C ATOM 648 O THR A 46 -4.615 12.836 3.664 1.00 0.00 O ATOM 649 CB THR A 46 -4.400 16.211 3.570 1.00 0.00 C ATOM 650 OG1 THR A 46 -4.744 16.441 4.925 1.00 0.00 O ATOM 651 CG2 THR A 46 -5.686 16.127 2.778 1.00 0.00 C ATOM 0 H THR A 46 -4.233 14.294 1.581 1.00 0.00 H new ATOM 0 HA THR A 46 -2.535 15.177 3.842 1.00 0.00 H new ATOM 0 HB THR A 46 -3.799 17.028 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.302 17.244 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.259 17.044 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.454 15.999 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.273 15.277 3.126 1.00 0.00 H new ATOM 659 N LEU A 47 -4.109 13.940 5.558 1.00 0.00 N ATOM 660 CA LEU A 47 -4.658 12.912 6.434 1.00 0.00 C ATOM 661 C LEU A 47 -6.183 12.929 6.404 1.00 0.00 C ATOM 662 O LEU A 47 -6.813 13.857 6.910 1.00 0.00 O ATOM 663 CB LEU A 47 -4.162 13.113 7.867 1.00 0.00 C ATOM 664 CG LEU A 47 -4.313 11.897 8.782 1.00 0.00 C ATOM 665 CD1 LEU A 47 -3.604 10.691 8.186 1.00 0.00 C ATOM 666 CD2 LEU A 47 -3.771 12.205 10.170 1.00 0.00 C ATOM 0 H LEU A 47 -3.714 14.744 6.047 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.316 11.942 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.110 13.395 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.703 13.950 8.308 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.373 11.662 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.722 9.835 8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.037 10.458 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.544 10.915 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.886 11.329 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.715 12.466 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.323 13.041 10.599 1.00 0.00 H new ATOM 678 N GLY A 48 -6.770 11.895 5.810 1.00 0.00 N ATOM 679 CA GLY A 48 -8.215 11.810 5.726 1.00 0.00 C ATOM 680 C GLY A 48 -8.864 11.621 7.083 1.00 0.00 C ATOM 681 O GLY A 48 -8.259 11.059 7.996 1.00 0.00 O ATOM 0 H GLY A 48 -6.270 11.114 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.603 12.718 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.490 10.979 5.076 1.00 0.00 H new ATOM 685 N ALA A 49 -10.100 12.092 7.216 1.00 0.00 N ATOM 686 CA ALA A 49 -10.832 11.974 8.471 1.00 0.00 C ATOM 687 C ALA A 49 -11.118 10.511 8.804 1.00 0.00 C ATOM 688 O ALA A 49 -11.287 9.684 7.908 1.00 0.00 O ATOM 689 CB ALA A 49 -12.129 12.765 8.402 1.00 0.00 C ATOM 0 H ALA A 49 -10.615 12.559 6.470 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.211 12.386 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.665 12.668 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.905 13.816 8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.748 12.379 7.592 1.00 0.00 H new ATOM 695 N PRO A 50 -11.178 10.172 10.103 1.00 0.00 N ATOM 696 CA PRO A 50 -11.446 8.801 10.550 1.00 0.00 C ATOM 697 C PRO A 50 -12.888 8.380 10.293 1.00 0.00 C ATOM 698 O PRO A 50 -13.803 9.203 10.334 1.00 0.00 O ATOM 699 CB PRO A 50 -11.166 8.856 12.053 1.00 0.00 C ATOM 700 CG PRO A 50 -11.403 10.277 12.429 1.00 0.00 C ATOM 701 CD PRO A 50 -10.990 11.097 11.238 1.00 0.00 C ATOM 0 HA PRO A 50 -10.837 8.072 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.826 8.185 12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.143 8.552 12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.452 10.446 12.674 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.822 10.549 13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.604 11.991 11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.955 11.429 11.318 1.00 0.00 H new ATOM 709 N HIS A 51 -13.085 7.093 10.025 1.00 0.00 N ATOM 710 CA HIS A 51 -14.417 6.562 9.761 1.00 0.00 C ATOM 711 C HIS A 51 -15.230 6.465 11.047 1.00 0.00 C ATOM 712 O HIS A 51 -14.684 6.212 12.121 1.00 0.00 O ATOM 713 CB HIS A 51 -14.318 5.185 9.101 1.00 0.00 C ATOM 714 CG HIS A 51 -14.080 5.245 7.623 1.00 0.00 C ATOM 715 ND1 HIS A 51 -14.986 4.727 6.730 1.00 0.00 N ATOM 716 CD2 HIS A 51 -13.033 5.768 6.941 1.00 0.00 C ATOM 717 CE1 HIS A 51 -14.475 4.943 5.532 1.00 0.00 C ATOM 718 NE2 HIS A 51 -13.292 5.572 5.608 1.00 0.00 N ATOM 0 H HIS A 51 -12.339 6.399 9.985 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.926 7.247 9.083 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -13.509 4.624 9.569 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -15.239 4.633 9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.163 6.247 7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.949 4.650 4.607 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.700 5.851 4.826 1.00 0.00 H new ATOM 726 N ARG A 52 -16.538 6.667 10.932 1.00 0.00 N ATOM 727 CA ARG A 52 -17.427 6.603 12.086 1.00 0.00 C ATOM 728 C ARG A 52 -17.457 5.194 12.671 1.00 0.00 C ATOM 729 O ARG A 52 -17.225 5.002 13.865 1.00 0.00 O ATOM 730 CB ARG A 52 -18.841 7.033 11.694 1.00 0.00 C ATOM 731 CG ARG A 52 -19.609 7.702 12.824 1.00 0.00 C ATOM 732 CD ARG A 52 -20.999 7.106 12.987 1.00 0.00 C ATOM 733 NE ARG A 52 -21.062 6.163 14.101 1.00 0.00 N ATOM 734 CZ ARG A 52 -22.198 5.660 14.582 1.00 0.00 C ATOM 735 NH1 ARG A 52 -23.363 6.007 14.052 1.00 0.00 N ATOM 736 NH2 ARG A 52 -22.166 4.807 15.597 1.00 0.00 N ATOM 0 H ARG A 52 -17.006 6.877 10.050 1.00 0.00 H new ATOM 0 HA ARG A 52 -17.045 7.286 12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -18.782 7.720 10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.397 6.159 11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -19.054 7.593 13.756 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.692 8.771 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -21.720 7.907 13.149 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.287 6.599 12.066 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.186 5.873 14.535 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -23.393 6.663 13.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -24.229 5.618 14.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.272 4.537 16.008 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -23.035 4.421 15.966 1.00 0.00 H new ATOM 750 N GLU A 53 -17.744 4.212 11.823 1.00 0.00 N ATOM 751 CA GLU A 53 -17.804 2.821 12.256 1.00 0.00 C ATOM 752 C GLU A 53 -16.450 2.140 12.089 1.00 0.00 C ATOM 753 O GLU A 53 -15.495 2.745 11.602 1.00 0.00 O ATOM 754 CB GLU A 53 -18.871 2.064 11.463 1.00 0.00 C ATOM 755 CG GLU A 53 -20.276 2.238 12.014 1.00 0.00 C ATOM 756 CD GLU A 53 -21.009 0.920 12.174 1.00 0.00 C ATOM 757 OE1 GLU A 53 -20.952 0.091 11.240 1.00 0.00 O ATOM 758 OE2 GLU A 53 -21.641 0.716 13.232 1.00 0.00 O ATOM 0 H GLU A 53 -17.939 4.354 10.832 1.00 0.00 H new ATOM 0 HA GLU A 53 -18.069 2.807 13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -18.851 2.404 10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.622 1.003 11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.223 2.739 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.845 2.887 11.349 1.00 0.00 H new ATOM 765 N VAL A 54 -16.374 0.877 12.496 1.00 0.00 N ATOM 766 CA VAL A 54 -15.137 0.114 12.391 1.00 0.00 C ATOM 767 C VAL A 54 -15.125 -0.742 11.129 1.00 0.00 C ATOM 768 O VAL A 54 -14.069 -0.996 10.549 1.00 0.00 O ATOM 769 CB VAL A 54 -14.933 -0.796 13.616 1.00 0.00 C ATOM 770 CG1 VAL A 54 -13.551 -1.430 13.588 1.00 0.00 C ATOM 771 CG2 VAL A 54 -15.142 -0.014 14.903 1.00 0.00 C ATOM 0 H VAL A 54 -17.155 0.361 12.901 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.322 0.837 12.345 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.674 -1.595 13.578 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.426 -2.069 14.462 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.443 -2.028 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.792 -0.648 13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.994 -0.674 15.758 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -14.427 0.807 14.950 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.156 0.386 14.925 1.00 0.00 H new ATOM 781 N ASP A 55 -16.306 -1.184 10.708 1.00 0.00 N ATOM 782 CA ASP A 55 -16.431 -2.012 9.515 1.00 0.00 C ATOM 783 C ASP A 55 -16.915 -1.184 8.327 1.00 0.00 C ATOM 784 O ASP A 55 -18.118 -1.035 8.112 1.00 0.00 O ATOM 785 CB ASP A 55 -17.393 -3.174 9.773 1.00 0.00 C ATOM 786 CG ASP A 55 -16.669 -4.490 9.978 1.00 0.00 C ATOM 787 OD1 ASP A 55 -15.978 -4.940 9.040 1.00 0.00 O ATOM 788 OD2 ASP A 55 -16.792 -5.069 11.077 1.00 0.00 O ATOM 0 H ASP A 55 -17.190 -0.982 11.176 1.00 0.00 H new ATOM 0 HA ASP A 55 -15.447 -2.414 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.996 -2.954 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.079 -3.267 8.931 1.00 0.00 H new ATOM 793 N GLU A 56 -15.970 -0.648 7.561 1.00 0.00 N ATOM 794 CA GLU A 56 -16.302 0.165 6.397 1.00 0.00 C ATOM 795 C GLU A 56 -15.124 0.231 5.429 1.00 0.00 C ATOM 796 O GLU A 56 -13.966 0.224 5.844 1.00 0.00 O ATOM 797 CB GLU A 56 -16.700 1.576 6.831 1.00 0.00 C ATOM 798 CG GLU A 56 -17.790 2.192 5.968 1.00 0.00 C ATOM 799 CD GLU A 56 -19.064 1.371 5.965 1.00 0.00 C ATOM 800 OE1 GLU A 56 -19.843 1.478 6.936 1.00 0.00 O ATOM 801 OE2 GLU A 56 -19.285 0.620 4.991 1.00 0.00 O ATOM 0 H GLU A 56 -14.970 -0.762 7.725 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.145 -0.301 5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.040 1.547 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.820 2.218 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.010 3.197 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.425 2.294 4.946 1.00 0.00 H new ATOM 808 N GLY A 57 -15.429 0.296 4.137 1.00 0.00 N ATOM 809 CA GLY A 57 -14.386 0.363 3.132 1.00 0.00 C ATOM 810 C GLY A 57 -13.944 1.787 2.848 1.00 0.00 C ATOM 811 O GLY A 57 -14.763 2.706 2.869 1.00 0.00 O ATOM 0 H GLY A 57 -16.380 0.303 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.528 -0.221 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.745 -0.094 2.210 1.00 0.00 H new ATOM 815 N PRO A 58 -12.646 2.005 2.575 1.00 0.00 N ATOM 816 CA PRO A 58 -12.115 3.342 2.287 1.00 0.00 C ATOM 817 C PRO A 58 -12.873 4.036 1.161 1.00 0.00 C ATOM 818 O PRO A 58 -13.600 3.394 0.401 1.00 0.00 O ATOM 819 CB PRO A 58 -10.667 3.071 1.868 1.00 0.00 C ATOM 820 CG PRO A 58 -10.323 1.770 2.505 1.00 0.00 C ATOM 821 CD PRO A 58 -11.596 0.971 2.527 1.00 0.00 C ATOM 0 HA PRO A 58 -12.206 4.008 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.573 3.017 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.002 3.865 2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.547 1.252 1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.938 1.919 3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.691 0.342 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.642 0.311 3.393 1.00 0.00 H new ATOM 829 N SER A 59 -12.697 5.348 1.057 1.00 0.00 N ATOM 830 CA SER A 59 -13.364 6.129 0.021 1.00 0.00 C ATOM 831 C SER A 59 -12.820 5.774 -1.360 1.00 0.00 C ATOM 832 O SER A 59 -11.751 5.176 -1.480 1.00 0.00 O ATOM 833 CB SER A 59 -13.180 7.625 0.286 1.00 0.00 C ATOM 834 OG SER A 59 -11.868 8.046 -0.048 1.00 0.00 O ATOM 0 H SER A 59 -12.098 5.894 1.677 1.00 0.00 H new ATOM 0 HA SER A 59 -14.427 5.890 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.906 8.192 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.377 7.838 1.337 1.00 0.00 H new ATOM 0 HG SER A 59 -11.726 8.960 0.275 1.00 0.00 H new ATOM 840 N PRO A 60 -13.552 6.141 -2.427 1.00 0.00 N ATOM 841 CA PRO A 60 -13.135 5.858 -3.804 1.00 0.00 C ATOM 842 C PRO A 60 -11.705 6.317 -4.093 1.00 0.00 C ATOM 843 O PRO A 60 -10.910 5.561 -4.651 1.00 0.00 O ATOM 844 CB PRO A 60 -14.137 6.645 -4.653 1.00 0.00 C ATOM 845 CG PRO A 60 -15.343 6.778 -3.790 1.00 0.00 C ATOM 846 CD PRO A 60 -14.838 6.861 -2.376 1.00 0.00 C ATOM 0 HA PRO A 60 -13.131 4.788 -4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.740 7.621 -4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -14.369 6.120 -5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -15.914 7.669 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -16.009 5.924 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.707 7.895 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -15.531 6.396 -1.674 1.00 0.00 H new ATOM 854 N PRO A 61 -11.352 7.563 -3.719 1.00 0.00 N ATOM 855 CA PRO A 61 -10.005 8.094 -3.952 1.00 0.00 C ATOM 856 C PRO A 61 -8.970 7.484 -3.014 1.00 0.00 C ATOM 857 O PRO A 61 -7.779 7.456 -3.322 1.00 0.00 O ATOM 858 CB PRO A 61 -10.163 9.589 -3.677 1.00 0.00 C ATOM 859 CG PRO A 61 -11.288 9.676 -2.705 1.00 0.00 C ATOM 860 CD PRO A 61 -12.224 8.548 -3.046 1.00 0.00 C ATOM 0 HA PRO A 61 -9.645 7.867 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.249 10.015 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.386 10.139 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.926 9.585 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.794 10.638 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.688 8.129 -2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.031 8.880 -3.699 1.00 0.00 H new ATOM 868 N GLU A 62 -9.431 6.995 -1.866 1.00 0.00 N ATOM 869 CA GLU A 62 -8.542 6.385 -0.884 1.00 0.00 C ATOM 870 C GLU A 62 -8.054 5.021 -1.364 1.00 0.00 C ATOM 871 O GLU A 62 -6.897 4.656 -1.155 1.00 0.00 O ATOM 872 CB GLU A 62 -9.258 6.238 0.460 1.00 0.00 C ATOM 873 CG GLU A 62 -9.234 7.502 1.304 1.00 0.00 C ATOM 874 CD GLU A 62 -10.350 7.539 2.329 1.00 0.00 C ATOM 875 OE1 GLU A 62 -10.552 6.521 3.024 1.00 0.00 O ATOM 876 OE2 GLU A 62 -11.020 8.587 2.439 1.00 0.00 O ATOM 0 H GLU A 62 -10.414 7.010 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.677 7.037 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.294 5.951 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.795 5.427 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.274 7.575 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.315 8.372 0.652 1.00 0.00 H new ATOM 883 N GLN A 63 -8.944 4.273 -2.009 1.00 0.00 N ATOM 884 CA GLN A 63 -8.602 2.949 -2.519 1.00 0.00 C ATOM 885 C GLN A 63 -7.485 3.037 -3.553 1.00 0.00 C ATOM 886 O GLN A 63 -7.713 3.436 -4.695 1.00 0.00 O ATOM 887 CB GLN A 63 -9.833 2.283 -3.135 1.00 0.00 C ATOM 888 CG GLN A 63 -11.038 2.255 -2.210 1.00 0.00 C ATOM 889 CD GLN A 63 -11.914 1.037 -2.428 1.00 0.00 C ATOM 890 OE1 GLN A 63 -11.499 0.065 -3.061 1.00 0.00 O ATOM 891 NE2 GLN A 63 -13.132 1.082 -1.902 1.00 0.00 N ATOM 0 H GLN A 63 -9.906 4.560 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.251 2.344 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.101 2.810 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.579 1.261 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.697 2.272 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.631 3.156 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.434 1.908 -1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.766 0.291 -2.015 1.00 0.00 H new ATOM 900 N PHE A 64 -6.277 2.659 -3.148 1.00 0.00 N ATOM 901 CA PHE A 64 -5.125 2.695 -4.040 1.00 0.00 C ATOM 902 C PHE A 64 -4.985 1.379 -4.799 1.00 0.00 C ATOM 903 O PHE A 64 -5.361 0.319 -4.298 1.00 0.00 O ATOM 904 CB PHE A 64 -3.848 2.977 -3.247 1.00 0.00 C ATOM 905 CG PHE A 64 -3.874 4.289 -2.516 1.00 0.00 C ATOM 906 CD1 PHE A 64 -3.606 5.474 -3.181 1.00 0.00 C ATOM 907 CD2 PHE A 64 -4.166 4.336 -1.162 1.00 0.00 C ATOM 908 CE1 PHE A 64 -3.629 6.683 -2.510 1.00 0.00 C ATOM 909 CE2 PHE A 64 -4.190 5.541 -0.486 1.00 0.00 C ATOM 910 CZ PHE A 64 -3.921 6.716 -1.161 1.00 0.00 C ATOM 0 H PHE A 64 -6.071 2.324 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.280 3.497 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.691 2.173 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.997 2.966 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.376 5.454 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.377 3.421 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.419 7.600 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.419 5.564 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.939 7.659 -0.634 1.00 0.00 H new ATOM 920 N THR A 65 -4.441 1.455 -6.010 1.00 0.00 N ATOM 921 CA THR A 65 -4.251 0.270 -6.838 1.00 0.00 C ATOM 922 C THR A 65 -2.774 -0.098 -6.930 1.00 0.00 C ATOM 923 O THR A 65 -1.973 0.644 -7.497 1.00 0.00 O ATOM 924 CB THR A 65 -4.818 0.506 -8.239 1.00 0.00 C ATOM 925 OG1 THR A 65 -5.942 1.365 -8.188 1.00 0.00 O ATOM 926 CG2 THR A 65 -5.246 -0.769 -8.934 1.00 0.00 C ATOM 0 H THR A 65 -4.124 2.325 -6.439 1.00 0.00 H new ATOM 0 HA THR A 65 -4.785 -0.558 -6.372 1.00 0.00 H new ATOM 0 HB THR A 65 -4.004 0.955 -8.807 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.288 1.505 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.638 -0.530 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.388 -1.434 -9.035 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.020 -1.262 -8.346 1.00 0.00 H new ATOM 934 N ALA A 66 -2.420 -1.250 -6.368 1.00 0.00 N ATOM 935 CA ALA A 66 -1.040 -1.717 -6.387 1.00 0.00 C ATOM 936 C ALA A 66 -0.688 -2.331 -7.738 1.00 0.00 C ATOM 937 O ALA A 66 -1.553 -2.863 -8.433 1.00 0.00 O ATOM 938 CB ALA A 66 -0.808 -2.723 -5.269 1.00 0.00 C ATOM 0 H ALA A 66 -3.071 -1.876 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.388 -0.858 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.227 -3.064 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.011 -2.252 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.474 -3.576 -5.403 1.00 0.00 H new ATOM 944 N VAL A 67 0.587 -2.254 -8.103 1.00 0.00 N ATOM 945 CA VAL A 67 1.053 -2.802 -9.371 1.00 0.00 C ATOM 946 C VAL A 67 2.480 -3.326 -9.253 1.00 0.00 C ATOM 947 O VAL A 67 3.420 -2.557 -9.052 1.00 0.00 O ATOM 948 CB VAL A 67 0.998 -1.749 -10.494 1.00 0.00 C ATOM 949 CG1 VAL A 67 1.292 -2.387 -11.842 1.00 0.00 C ATOM 950 CG2 VAL A 67 -0.355 -1.055 -10.508 1.00 0.00 C ATOM 0 H VAL A 67 1.316 -1.817 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 67 0.385 -3.626 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 67 1.764 -0.999 -10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.248 -1.627 -12.622 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.287 -2.832 -11.825 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.552 -3.160 -12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.376 -0.314 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.140 -1.792 -10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.520 -0.560 -9.551 1.00 0.00 H new ATOM 960 N LYS A 68 2.634 -4.640 -9.380 1.00 0.00 N ATOM 961 CA LYS A 68 3.948 -5.267 -9.287 1.00 0.00 C ATOM 962 C LYS A 68 4.786 -4.958 -10.523 1.00 0.00 C ATOM 963 O LYS A 68 4.253 -4.800 -11.621 1.00 0.00 O ATOM 964 CB LYS A 68 3.803 -6.781 -9.120 1.00 0.00 C ATOM 965 CG LYS A 68 3.155 -7.189 -7.808 1.00 0.00 C ATOM 966 CD LYS A 68 3.126 -8.701 -7.648 1.00 0.00 C ATOM 967 CE LYS A 68 4.529 -9.285 -7.587 1.00 0.00 C ATOM 968 NZ LYS A 68 4.814 -10.166 -8.752 1.00 0.00 N ATOM 0 H LYS A 68 1.867 -5.291 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 68 4.457 -4.859 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.210 -7.174 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.789 -7.242 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.702 -6.744 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.138 -6.798 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.583 -8.961 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.582 -9.145 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.258 -8.475 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.646 -9.854 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.780 -10.544 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.134 -10.953 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.728 -9.617 -9.631 1.00 0.00 H new ATOM 982 N LEU A 69 6.098 -4.873 -10.337 1.00 0.00 N ATOM 983 CA LEU A 69 7.009 -4.583 -11.439 1.00 0.00 C ATOM 984 C LEU A 69 8.204 -5.532 -11.423 1.00 0.00 C ATOM 985 O LEU A 69 8.357 -6.367 -12.314 1.00 0.00 O ATOM 986 CB LEU A 69 7.490 -3.133 -11.363 1.00 0.00 C ATOM 987 CG LEU A 69 6.418 -2.114 -10.970 1.00 0.00 C ATOM 988 CD1 LEU A 69 7.057 -0.885 -10.340 1.00 0.00 C ATOM 989 CD2 LEU A 69 5.585 -1.725 -12.180 1.00 0.00 C ATOM 0 H LEU A 69 6.555 -5.001 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 69 6.467 -4.729 -12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.306 -3.074 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.899 -2.851 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 69 5.758 -2.573 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.280 -0.171 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.610 -1.179 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.739 -0.423 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.828 -1.000 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.231 -1.284 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.098 -2.611 -12.587 1.00 0.00 H new ATOM 1001 N SER A 70 9.049 -5.397 -10.405 1.00 0.00 N ATOM 1002 CA SER A 70 10.231 -6.242 -10.274 1.00 0.00 C ATOM 1003 C SER A 70 11.024 -5.879 -9.023 1.00 0.00 C ATOM 1004 O SER A 70 10.874 -4.786 -8.478 1.00 0.00 O ATOM 1005 CB SER A 70 11.121 -6.109 -11.512 1.00 0.00 C ATOM 1006 OG SER A 70 11.451 -4.754 -11.760 1.00 0.00 O ATOM 0 H SER A 70 8.937 -4.710 -9.659 1.00 0.00 H new ATOM 0 HA SER A 70 9.898 -7.276 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.033 -6.689 -11.372 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.608 -6.526 -12.379 1.00 0.00 H new ATOM 0 HG SER A 70 12.021 -4.696 -12.555 1.00 0.00 H new ATOM 1012 N ASP A 71 11.870 -6.801 -8.575 1.00 0.00 N ATOM 1013 CA ASP A 71 12.689 -6.578 -7.390 1.00 0.00 C ATOM 1014 C ASP A 71 11.818 -6.308 -6.167 1.00 0.00 C ATOM 1015 O ASP A 71 12.214 -5.575 -5.260 1.00 0.00 O ATOM 1016 CB ASP A 71 13.644 -5.405 -7.619 1.00 0.00 C ATOM 1017 CG ASP A 71 15.013 -5.648 -7.012 1.00 0.00 C ATOM 1018 OD1 ASP A 71 15.106 -6.450 -6.060 1.00 0.00 O ATOM 1019 OD2 ASP A 71 15.991 -5.036 -7.490 1.00 0.00 O ATOM 0 H ASP A 71 12.006 -7.711 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 71 13.270 -7.482 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.750 -5.230 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.214 -4.500 -7.189 1.00 0.00 H new ATOM 1024 N SER A 72 10.630 -6.905 -6.148 1.00 0.00 N ATOM 1025 CA SER A 72 9.704 -6.730 -5.035 1.00 0.00 C ATOM 1026 C SER A 72 9.316 -5.263 -4.874 1.00 0.00 C ATOM 1027 O SER A 72 9.150 -4.774 -3.756 1.00 0.00 O ATOM 1028 CB SER A 72 10.328 -7.250 -3.739 1.00 0.00 C ATOM 1029 OG SER A 72 11.201 -8.338 -3.993 1.00 0.00 O ATOM 0 H SER A 72 10.286 -7.514 -6.891 1.00 0.00 H new ATOM 0 HA SER A 72 8.803 -7.303 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.877 -6.446 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.541 -7.564 -3.053 1.00 0.00 H new ATOM 0 HG SER A 72 11.588 -8.651 -3.149 1.00 0.00 H new ATOM 1035 N ARG A 73 9.172 -4.566 -5.996 1.00 0.00 N ATOM 1036 CA ARG A 73 8.802 -3.156 -5.979 1.00 0.00 C ATOM 1037 C ARG A 73 7.449 -2.942 -6.650 1.00 0.00 C ATOM 1038 O ARG A 73 7.309 -3.127 -7.859 1.00 0.00 O ATOM 1039 CB ARG A 73 9.871 -2.316 -6.680 1.00 0.00 C ATOM 1040 CG ARG A 73 11.293 -2.692 -6.292 1.00 0.00 C ATOM 1041 CD ARG A 73 11.498 -2.629 -4.787 1.00 0.00 C ATOM 1042 NE ARG A 73 12.772 -2.004 -4.435 1.00 0.00 N ATOM 1043 CZ ARG A 73 13.029 -0.707 -4.590 1.00 0.00 C ATOM 1044 NH1 ARG A 73 12.106 0.104 -5.091 1.00 0.00 N ATOM 1045 NH2 ARG A 73 14.213 -0.220 -4.243 1.00 0.00 N ATOM 0 H ARG A 73 9.306 -4.955 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 73 8.727 -2.839 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.757 -2.425 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.706 -1.264 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.514 -3.698 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.995 -2.019 -6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.681 -2.068 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.462 -3.637 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 73 13.507 -2.596 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.194 -0.265 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.308 1.097 -5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.926 -0.839 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.410 0.774 -4.362 1.00 0.00 H new ATOM 1059 N ILE A 74 6.456 -2.550 -5.858 1.00 0.00 N ATOM 1060 CA ILE A 74 5.114 -2.310 -6.377 1.00 0.00 C ATOM 1061 C ILE A 74 4.830 -0.818 -6.498 1.00 0.00 C ATOM 1062 O ILE A 74 5.540 0.009 -5.926 1.00 0.00 O ATOM 1063 CB ILE A 74 4.042 -2.953 -5.476 1.00 0.00 C ATOM 1064 CG1 ILE A 74 4.288 -2.590 -4.011 1.00 0.00 C ATOM 1065 CG2 ILE A 74 4.032 -4.462 -5.660 1.00 0.00 C ATOM 1066 CD1 ILE A 74 3.166 -3.009 -3.087 1.00 0.00 C ATOM 0 H ILE A 74 6.555 -2.392 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 74 5.070 -2.766 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 74 3.066 -2.565 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.215 -3.059 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.430 -1.512 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.270 -4.902 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.811 -4.700 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.008 -4.867 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.409 -2.719 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.241 -2.520 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.038 -4.090 -3.137 1.00 0.00 H new ATOM 1078 N ALA A 75 3.786 -0.480 -7.248 1.00 0.00 N ATOM 1079 CA ALA A 75 3.405 0.914 -7.446 1.00 0.00 C ATOM 1080 C ALA A 75 1.947 1.143 -7.061 1.00 0.00 C ATOM 1081 O ALA A 75 1.070 0.356 -7.417 1.00 0.00 O ATOM 1082 CB ALA A 75 3.643 1.325 -8.891 1.00 0.00 C ATOM 0 H ALA A 75 3.189 -1.153 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 75 4.026 1.532 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.354 2.368 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.699 1.207 -9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.046 0.696 -9.551 1.00 0.00 H new ATOM 1088 N LEU A 76 1.696 2.227 -6.333 1.00 0.00 N ATOM 1089 CA LEU A 76 0.344 2.560 -5.900 1.00 0.00 C ATOM 1090 C LEU A 76 -0.301 3.560 -6.855 1.00 0.00 C ATOM 1091 O LEU A 76 0.380 4.390 -7.455 1.00 0.00 O ATOM 1092 CB LEU A 76 0.368 3.132 -4.482 1.00 0.00 C ATOM 1093 CG LEU A 76 0.443 2.091 -3.365 1.00 0.00 C ATOM 1094 CD1 LEU A 76 0.713 2.763 -2.027 1.00 0.00 C ATOM 1095 CD2 LEU A 76 -0.842 1.280 -3.306 1.00 0.00 C ATOM 0 H LEU A 76 2.411 2.889 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.250 1.646 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.223 3.802 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.527 3.736 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 76 1.268 1.412 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.763 2.007 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.660 3.300 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.091 3.464 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.771 0.544 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.684 1.945 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.994 0.769 -4.257 1.00 0.00 H new ATOM 1107 N LYS A 77 -1.621 3.474 -6.988 1.00 0.00 N ATOM 1108 CA LYS A 77 -2.360 4.371 -7.869 1.00 0.00 C ATOM 1109 C LYS A 77 -3.605 4.911 -7.173 1.00 0.00 C ATOM 1110 O LYS A 77 -4.536 4.163 -6.876 1.00 0.00 O ATOM 1111 CB LYS A 77 -2.754 3.646 -9.157 1.00 0.00 C ATOM 1112 CG LYS A 77 -3.315 4.567 -10.227 1.00 0.00 C ATOM 1113 CD LYS A 77 -3.935 3.781 -11.370 1.00 0.00 C ATOM 1114 CE LYS A 77 -4.094 4.640 -12.614 1.00 0.00 C ATOM 1115 NZ LYS A 77 -5.065 4.049 -13.577 1.00 0.00 N ATOM 0 H LYS A 77 -2.200 2.793 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.712 5.211 -8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.880 3.130 -9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.495 2.882 -8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.065 5.223 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.520 5.205 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.311 2.918 -11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.909 3.398 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.429 5.637 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.126 4.757 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.145 4.665 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.733 3.108 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.996 3.961 -13.121 1.00 0.00 H new ATOM 1129 N SER A 78 -3.614 6.216 -6.917 1.00 0.00 N ATOM 1130 CA SER A 78 -4.745 6.856 -6.257 1.00 0.00 C ATOM 1131 C SER A 78 -6.023 6.680 -7.070 1.00 0.00 C ATOM 1132 O SER A 78 -5.978 6.529 -8.292 1.00 0.00 O ATOM 1133 CB SER A 78 -4.464 8.345 -6.046 1.00 0.00 C ATOM 1134 OG SER A 78 -3.842 8.914 -7.186 1.00 0.00 O ATOM 0 H SER A 78 -2.851 6.849 -7.157 1.00 0.00 H new ATOM 0 HA SER A 78 -4.884 6.377 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.397 8.868 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.823 8.477 -5.174 1.00 0.00 H new ATOM 0 HG SER A 78 -3.675 9.866 -7.026 1.00 0.00 H new ATOM 1140 N GLY A 79 -7.163 6.699 -6.386 1.00 0.00 N ATOM 1141 CA GLY A 79 -8.437 6.540 -7.062 1.00 0.00 C ATOM 1142 C GLY A 79 -8.703 7.643 -8.068 1.00 0.00 C ATOM 1143 O GLY A 79 -9.417 7.437 -9.049 1.00 0.00 O ATOM 0 H GLY A 79 -7.227 6.822 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.457 5.576 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.238 6.526 -6.323 1.00 0.00 H new ATOM 1147 N TYR A 80 -8.127 8.815 -7.824 1.00 0.00 N ATOM 1148 CA TYR A 80 -8.305 9.955 -8.717 1.00 0.00 C ATOM 1149 C TYR A 80 -7.816 9.627 -10.124 1.00 0.00 C ATOM 1150 O TYR A 80 -8.338 10.149 -11.110 1.00 0.00 O ATOM 1151 CB TYR A 80 -7.558 11.175 -8.173 1.00 0.00 C ATOM 1152 CG TYR A 80 -8.444 12.149 -7.432 1.00 0.00 C ATOM 1153 CD1 TYR A 80 -9.678 12.528 -7.948 1.00 0.00 C ATOM 1154 CD2 TYR A 80 -8.049 12.690 -6.215 1.00 0.00 C ATOM 1155 CE1 TYR A 80 -10.490 13.419 -7.273 1.00 0.00 C ATOM 1156 CE2 TYR A 80 -8.857 13.580 -5.533 1.00 0.00 C ATOM 1157 CZ TYR A 80 -10.077 13.941 -6.066 1.00 0.00 C ATOM 1158 OH TYR A 80 -10.883 14.827 -5.391 1.00 0.00 O ATOM 0 H TYR A 80 -7.533 9.001 -7.016 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.370 10.183 -8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.766 10.837 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.076 11.694 -9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.007 12.119 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.094 12.410 -5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -11.444 13.705 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -8.535 13.991 -4.588 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.310 15.434 -6.031 1.00 0.00 H new ATOM 1168 N GLY A 81 -6.813 8.760 -10.209 1.00 0.00 N ATOM 1169 CA GLY A 81 -6.271 8.378 -11.501 1.00 0.00 C ATOM 1170 C GLY A 81 -4.814 8.770 -11.656 1.00 0.00 C ATOM 1171 O GLY A 81 -4.377 9.144 -12.744 1.00 0.00 O ATOM 0 H GLY A 81 -6.366 8.315 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.370 7.300 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.857 8.848 -12.291 1.00 0.00 H new ATOM 1175 N LYS A 82 -4.061 8.682 -10.565 1.00 0.00 N ATOM 1176 CA LYS A 82 -2.645 9.030 -10.583 1.00 0.00 C ATOM 1177 C LYS A 82 -1.821 8.000 -9.818 1.00 0.00 C ATOM 1178 O LYS A 82 -2.371 7.102 -9.178 1.00 0.00 O ATOM 1179 CB LYS A 82 -2.432 10.420 -9.979 1.00 0.00 C ATOM 1180 CG LYS A 82 -2.983 11.546 -10.838 1.00 0.00 C ATOM 1181 CD LYS A 82 -3.608 12.642 -9.988 1.00 0.00 C ATOM 1182 CE LYS A 82 -4.879 13.183 -10.622 1.00 0.00 C ATOM 1183 NZ LYS A 82 -4.641 14.467 -11.336 1.00 0.00 N ATOM 0 H LYS A 82 -4.408 8.373 -9.657 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.312 9.037 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.905 10.457 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.365 10.581 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.182 11.967 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.729 11.148 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.833 12.250 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.892 13.454 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.277 12.448 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.635 13.331 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.532 14.802 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.285 15.177 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.939 14.320 -12.089 1.00 0.00 H new ATOM 1197 N TYR A 83 -0.501 8.134 -9.887 1.00 0.00 N ATOM 1198 CA TYR A 83 0.398 7.214 -9.200 1.00 0.00 C ATOM 1199 C TYR A 83 1.144 7.921 -8.074 1.00 0.00 C ATOM 1200 O TYR A 83 1.753 8.970 -8.282 1.00 0.00 O ATOM 1201 CB TYR A 83 1.397 6.610 -10.190 1.00 0.00 C ATOM 1202 CG TYR A 83 0.895 5.355 -10.867 1.00 0.00 C ATOM 1203 CD1 TYR A 83 0.024 5.426 -11.947 1.00 0.00 C ATOM 1204 CD2 TYR A 83 1.292 4.099 -10.427 1.00 0.00 C ATOM 1205 CE1 TYR A 83 -0.437 4.282 -12.569 1.00 0.00 C ATOM 1206 CE2 TYR A 83 0.836 2.949 -11.043 1.00 0.00 C ATOM 1207 CZ TYR A 83 -0.029 3.046 -12.113 1.00 0.00 C ATOM 1208 OH TYR A 83 -0.486 1.904 -12.730 1.00 0.00 O ATOM 0 H TYR A 83 -0.030 8.871 -10.412 1.00 0.00 H new ATOM 0 HA TYR A 83 -0.202 6.414 -8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 83 1.636 7.353 -10.951 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.325 6.383 -9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -0.298 6.392 -12.306 1.00 0.00 H new ATOM 0 HD2 TYR A 83 1.969 4.020 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.113 4.355 -13.408 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.155 1.980 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 83 0.272 1.321 -12.942 1.00 0.00 H new ATOM 1218 N LEU A 84 1.094 7.338 -6.881 1.00 0.00 N ATOM 1219 CA LEU A 84 1.765 7.912 -5.720 1.00 0.00 C ATOM 1220 C LEU A 84 3.267 8.022 -5.960 1.00 0.00 C ATOM 1221 O LEU A 84 3.939 7.024 -6.222 1.00 0.00 O ATOM 1222 CB LEU A 84 1.497 7.060 -4.478 1.00 0.00 C ATOM 1223 CG LEU A 84 0.107 7.234 -3.862 1.00 0.00 C ATOM 1224 CD1 LEU A 84 -0.065 6.314 -2.663 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -0.119 8.683 -3.460 1.00 0.00 C ATOM 0 H LEU A 84 0.596 6.468 -6.693 1.00 0.00 H new ATOM 0 HA LEU A 84 1.366 8.914 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.633 6.011 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.245 7.300 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.638 6.964 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.059 6.452 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.054 5.278 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.687 6.552 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.112 8.789 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.632 8.979 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.039 9.321 -4.340 1.00 0.00 H new ATOM 1237 N GLY A 85 3.788 9.242 -5.869 1.00 0.00 N ATOM 1238 CA GLY A 85 5.208 9.459 -6.079 1.00 0.00 C ATOM 1239 C GLY A 85 5.815 10.380 -5.040 1.00 0.00 C ATOM 1240 O GLY A 85 5.148 11.285 -4.538 1.00 0.00 O ATOM 0 H GLY A 85 3.253 10.083 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.726 8.500 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.365 9.883 -7.071 1.00 0.00 H new ATOM 1244 N ILE A 86 7.083 10.150 -4.716 1.00 0.00 N ATOM 1245 CA ILE A 86 7.780 10.965 -3.729 1.00 0.00 C ATOM 1246 C ILE A 86 8.691 11.986 -4.404 1.00 0.00 C ATOM 1247 O ILE A 86 9.501 11.638 -5.261 1.00 0.00 O ATOM 1248 CB ILE A 86 8.621 10.097 -2.775 1.00 0.00 C ATOM 1249 CG1 ILE A 86 9.513 9.142 -3.571 1.00 0.00 C ATOM 1250 CG2 ILE A 86 7.716 9.320 -1.829 1.00 0.00 C ATOM 1251 CD1 ILE A 86 10.911 9.009 -3.006 1.00 0.00 C ATOM 0 H ILE A 86 7.649 9.405 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 86 7.015 11.487 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 86 9.260 10.751 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.045 8.158 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.578 9.492 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.325 8.711 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.119 10.018 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.055 8.674 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.487 8.317 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.397 9.984 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.856 8.630 -1.986 1.00 0.00 H new ATOM 1263 N ASN A 87 8.550 13.248 -4.010 1.00 0.00 N ATOM 1264 CA ASN A 87 9.361 14.320 -4.576 1.00 0.00 C ATOM 1265 C ASN A 87 10.826 14.159 -4.183 1.00 0.00 C ATOM 1266 O ASN A 87 11.168 13.319 -3.351 1.00 0.00 O ATOM 1267 CB ASN A 87 8.839 15.682 -4.110 1.00 0.00 C ATOM 1268 CG ASN A 87 8.040 16.392 -5.184 1.00 0.00 C ATOM 1269 OD1 ASN A 87 8.239 16.161 -6.377 1.00 0.00 O ATOM 1270 ND2 ASN A 87 7.131 17.265 -4.767 1.00 0.00 N ATOM 0 H ASN A 87 7.882 13.553 -3.302 1.00 0.00 H new ATOM 0 HA ASN A 87 9.288 14.264 -5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.215 15.546 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.680 16.308 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.565 17.775 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.999 17.426 -3.768 1.00 0.00 H new ATOM 1277 N SER A 88 11.687 14.970 -4.789 1.00 0.00 N ATOM 1278 CA SER A 88 13.116 14.918 -4.503 1.00 0.00 C ATOM 1279 C SER A 88 13.407 15.419 -3.092 1.00 0.00 C ATOM 1280 O SER A 88 14.325 14.936 -2.428 1.00 0.00 O ATOM 1281 CB SER A 88 13.892 15.755 -5.523 1.00 0.00 C ATOM 1282 OG SER A 88 15.154 15.175 -5.804 1.00 0.00 O ATOM 0 H SER A 88 11.420 15.671 -5.481 1.00 0.00 H new ATOM 0 HA SER A 88 13.438 13.879 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.314 15.840 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.030 16.766 -5.139 1.00 0.00 H new ATOM 0 HG SER A 88 15.629 15.727 -6.459 1.00 0.00 H new ATOM 1288 N ASP A 89 12.620 16.389 -2.639 1.00 0.00 N ATOM 1289 CA ASP A 89 12.794 16.955 -1.306 1.00 0.00 C ATOM 1290 C ASP A 89 12.453 15.928 -0.230 1.00 0.00 C ATOM 1291 O ASP A 89 13.026 15.941 0.859 1.00 0.00 O ATOM 1292 CB ASP A 89 11.918 18.197 -1.138 1.00 0.00 C ATOM 1293 CG ASP A 89 12.501 19.413 -1.830 1.00 0.00 C ATOM 1294 OD1 ASP A 89 13.693 19.710 -1.605 1.00 0.00 O ATOM 1295 OD2 ASP A 89 11.765 20.069 -2.597 1.00 0.00 O ATOM 0 H ASP A 89 11.856 16.800 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 89 13.840 17.239 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.925 17.995 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.795 18.411 -0.076 1.00 0.00 H new ATOM 1300 N GLY A 90 11.514 15.040 -0.545 1.00 0.00 N ATOM 1301 CA GLY A 90 11.112 14.019 0.406 1.00 0.00 C ATOM 1302 C GLY A 90 9.663 14.162 0.830 1.00 0.00 C ATOM 1303 O GLY A 90 9.313 13.862 1.972 1.00 0.00 O ATOM 0 H GLY A 90 11.025 15.009 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.263 13.034 -0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.752 14.074 1.286 1.00 0.00 H new ATOM 1307 N LEU A 91 8.821 14.621 -0.088 1.00 0.00 N ATOM 1308 CA LEU A 91 7.402 14.804 0.198 1.00 0.00 C ATOM 1309 C LEU A 91 6.558 13.789 -0.566 1.00 0.00 C ATOM 1310 O LEU A 91 6.915 13.375 -1.669 1.00 0.00 O ATOM 1311 CB LEU A 91 6.966 16.225 -0.165 1.00 0.00 C ATOM 1312 CG LEU A 91 5.778 16.761 0.634 1.00 0.00 C ATOM 1313 CD1 LEU A 91 6.257 17.477 1.887 1.00 0.00 C ATOM 1314 CD2 LEU A 91 4.935 17.694 -0.224 1.00 0.00 C ATOM 0 H LEU A 91 9.096 14.874 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 91 7.249 14.647 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.813 16.896 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.713 16.252 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 91 5.158 15.917 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.398 17.852 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.818 16.782 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.899 18.312 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.094 18.066 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.545 18.534 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.561 17.151 -1.092 1.00 0.00 H new ATOM 1326 N VAL A 92 5.438 13.393 0.027 1.00 0.00 N ATOM 1327 CA VAL A 92 4.542 12.427 -0.599 1.00 0.00 C ATOM 1328 C VAL A 92 3.507 13.124 -1.474 1.00 0.00 C ATOM 1329 O VAL A 92 2.690 13.904 -0.985 1.00 0.00 O ATOM 1330 CB VAL A 92 3.814 11.571 0.455 1.00 0.00 C ATOM 1331 CG1 VAL A 92 3.040 10.445 -0.213 1.00 0.00 C ATOM 1332 CG2 VAL A 92 4.802 11.020 1.472 1.00 0.00 C ATOM 0 H VAL A 92 5.128 13.726 0.940 1.00 0.00 H new ATOM 0 HA VAL A 92 5.160 11.778 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 92 3.102 12.206 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.533 9.851 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.303 10.866 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.729 9.810 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.269 10.418 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.541 10.401 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.305 11.846 1.975 1.00 0.00 H new ATOM 1342 N VAL A 93 3.548 12.840 -2.771 1.00 0.00 N ATOM 1343 CA VAL A 93 2.613 13.440 -3.716 1.00 0.00 C ATOM 1344 C VAL A 93 2.137 12.420 -4.744 1.00 0.00 C ATOM 1345 O VAL A 93 2.560 11.263 -4.727 1.00 0.00 O ATOM 1346 CB VAL A 93 3.249 14.634 -4.452 1.00 0.00 C ATOM 1347 CG1 VAL A 93 3.405 15.820 -3.513 1.00 0.00 C ATOM 1348 CG2 VAL A 93 4.590 14.238 -5.052 1.00 0.00 C ATOM 0 H VAL A 93 4.219 12.198 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 93 1.760 13.791 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 93 2.587 14.931 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.856 16.654 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.426 16.118 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.045 15.540 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.025 15.094 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.262 13.913 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.445 13.422 -5.761 1.00 0.00 H new ATOM 1358 N GLY A 94 1.255 12.855 -5.637 1.00 0.00 N ATOM 1359 CA GLY A 94 0.736 11.966 -6.660 1.00 0.00 C ATOM 1360 C GLY A 94 0.069 12.716 -7.797 1.00 0.00 C ATOM 1361 O GLY A 94 -1.033 13.241 -7.641 1.00 0.00 O ATOM 0 H GLY A 94 0.890 13.807 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.550 11.360 -7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.018 11.280 -6.211 1.00 0.00 H new ATOM 1365 N ARG A 95 0.739 12.765 -8.943 1.00 0.00 N ATOM 1366 CA ARG A 95 0.206 13.455 -10.112 1.00 0.00 C ATOM 1367 C ARG A 95 0.848 12.931 -11.393 1.00 0.00 C ATOM 1368 O ARG A 95 1.010 13.669 -12.365 1.00 0.00 O ATOM 1369 CB ARG A 95 0.439 14.962 -9.992 1.00 0.00 C ATOM 1370 CG ARG A 95 1.905 15.344 -9.887 1.00 0.00 C ATOM 1371 CD ARG A 95 2.148 16.772 -10.348 1.00 0.00 C ATOM 1372 NE ARG A 95 1.413 17.744 -9.539 1.00 0.00 N ATOM 1373 CZ ARG A 95 0.239 18.272 -9.886 1.00 0.00 C ATOM 1374 NH1 ARG A 95 -0.350 17.924 -11.024 1.00 0.00 N ATOM 1375 NH2 ARG A 95 -0.351 19.152 -9.089 1.00 0.00 N ATOM 0 H ARG A 95 1.653 12.335 -9.088 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.866 13.262 -10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.004 15.459 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.089 15.334 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.237 15.233 -8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.503 14.660 -10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.214 16.992 -10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.851 16.871 -11.392 1.00 0.00 H new ATOM 0 HE ARG A 95 1.825 18.037 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.096 17.246 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.248 18.334 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.093 19.424 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.249 19.557 -9.353 1.00 0.00 H new ATOM 1389 N SER A 96 1.212 11.653 -11.387 1.00 0.00 N ATOM 1390 CA SER A 96 1.838 11.030 -12.548 1.00 0.00 C ATOM 1391 C SER A 96 1.007 9.853 -13.048 1.00 0.00 C ATOM 1392 O SER A 96 0.582 9.004 -12.264 1.00 0.00 O ATOM 1393 CB SER A 96 3.252 10.561 -12.202 1.00 0.00 C ATOM 1394 OG SER A 96 4.090 10.581 -13.345 1.00 0.00 O ATOM 0 H SER A 96 1.084 11.028 -10.591 1.00 0.00 H new ATOM 0 HA SER A 96 1.895 11.775 -13.342 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.672 11.203 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.214 9.551 -11.793 1.00 0.00 H new ATOM 0 HG SER A 96 4.989 10.279 -13.097 1.00 0.00 H new ATOM 1400 N ASP A 97 0.783 9.807 -14.357 1.00 0.00 N ATOM 1401 CA ASP A 97 0.004 8.732 -14.963 1.00 0.00 C ATOM 1402 C ASP A 97 0.919 7.664 -15.553 1.00 0.00 C ATOM 1403 O ASP A 97 0.575 7.016 -16.542 1.00 0.00 O ATOM 1404 CB ASP A 97 -0.915 9.290 -16.049 1.00 0.00 C ATOM 1405 CG ASP A 97 -1.910 10.297 -15.504 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -2.647 9.949 -14.558 1.00 0.00 O ATOM 1407 OD2 ASP A 97 -1.952 11.431 -16.023 1.00 0.00 O ATOM 0 H ASP A 97 1.130 10.501 -15.019 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.604 8.273 -14.183 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.312 9.763 -16.824 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.455 8.469 -16.521 1.00 0.00 H new ATOM 1412 N ALA A 98 2.085 7.486 -14.941 1.00 0.00 N ATOM 1413 CA ALA A 98 3.049 6.496 -15.406 1.00 0.00 C ATOM 1414 C ALA A 98 3.987 6.072 -14.282 1.00 0.00 C ATOM 1415 O ALA A 98 4.080 6.741 -13.253 1.00 0.00 O ATOM 1416 CB ALA A 98 3.844 7.047 -16.580 1.00 0.00 C ATOM 0 H ALA A 98 2.385 8.015 -14.122 1.00 0.00 H new ATOM 0 HA ALA A 98 2.498 5.615 -15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.560 6.298 -16.918 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.165 7.293 -17.396 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.378 7.945 -16.269 1.00 0.00 H new ATOM 1422 N ILE A 99 4.681 4.957 -14.485 1.00 0.00 N ATOM 1423 CA ILE A 99 5.613 4.445 -13.487 1.00 0.00 C ATOM 1424 C ILE A 99 6.954 5.167 -13.565 1.00 0.00 C ATOM 1425 O ILE A 99 7.409 5.537 -14.647 1.00 0.00 O ATOM 1426 CB ILE A 99 5.846 2.932 -13.662 1.00 0.00 C ATOM 1427 CG1 ILE A 99 4.510 2.197 -13.784 1.00 0.00 C ATOM 1428 CG2 ILE A 99 6.655 2.383 -12.495 1.00 0.00 C ATOM 1429 CD1 ILE A 99 3.590 2.415 -12.602 1.00 0.00 C ATOM 0 H ILE A 99 4.616 4.391 -15.331 1.00 0.00 H new ATOM 0 HA ILE A 99 5.163 4.626 -12.511 1.00 0.00 H new ATOM 0 HB ILE A 99 6.412 2.770 -14.580 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.005 2.526 -14.692 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.701 1.129 -13.894 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.812 1.313 -12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.620 2.888 -12.451 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.113 2.554 -11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.662 1.864 -12.757 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.075 2.060 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.369 3.478 -12.504 1.00 0.00 H new ATOM 1441 N GLY A 100 7.580 5.365 -12.410 1.00 0.00 N ATOM 1442 CA GLY A 100 8.863 6.043 -12.369 1.00 0.00 C ATOM 1443 C GLY A 100 9.681 5.662 -11.149 1.00 0.00 C ATOM 1444 O GLY A 100 9.303 4.756 -10.405 1.00 0.00 O ATOM 0 H GLY A 100 7.222 5.068 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.427 5.802 -13.270 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.701 7.121 -12.372 1.00 0.00 H new ATOM 1448 N PRO A 101 10.817 6.342 -10.914 1.00 0.00 N ATOM 1449 CA PRO A 101 11.684 6.058 -9.767 1.00 0.00 C ATOM 1450 C PRO A 101 11.059 6.497 -8.447 1.00 0.00 C ATOM 1451 O PRO A 101 11.240 5.848 -7.416 1.00 0.00 O ATOM 1452 CB PRO A 101 12.941 6.877 -10.061 1.00 0.00 C ATOM 1453 CG PRO A 101 12.470 7.996 -10.924 1.00 0.00 C ATOM 1454 CD PRO A 101 11.342 7.438 -11.748 1.00 0.00 C ATOM 0 HA PRO A 101 11.872 4.990 -9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 101 13.395 7.249 -9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.696 6.276 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 101 12.133 8.839 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 101 13.275 8.362 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.580 8.191 -11.948 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.692 7.075 -12.714 1.00 0.00 H new ATOM 1462 N ARG A 102 10.324 7.603 -8.483 1.00 0.00 N ATOM 1463 CA ARG A 102 9.674 8.130 -7.290 1.00 0.00 C ATOM 1464 C ARG A 102 8.440 7.306 -6.932 1.00 0.00 C ATOM 1465 O ARG A 102 8.112 7.139 -5.757 1.00 0.00 O ATOM 1466 CB ARG A 102 9.280 9.593 -7.501 1.00 0.00 C ATOM 1467 CG ARG A 102 10.453 10.493 -7.855 1.00 0.00 C ATOM 1468 CD ARG A 102 10.004 11.699 -8.664 1.00 0.00 C ATOM 1469 NE ARG A 102 11.119 12.588 -8.986 1.00 0.00 N ATOM 1470 CZ ARG A 102 11.031 13.608 -9.837 1.00 0.00 C ATOM 1471 NH1 ARG A 102 9.885 13.873 -10.451 1.00 0.00 N ATOM 1472 NH2 ARG A 102 12.094 14.366 -10.073 1.00 0.00 N ATOM 0 H ARG A 102 10.164 8.152 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 102 10.383 8.067 -6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.536 9.650 -8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.806 9.968 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.944 10.828 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.190 9.926 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.531 11.361 -9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.250 12.251 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 102 12.016 12.417 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.065 13.294 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.824 14.656 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.977 14.167 -9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.028 15.148 -10.725 1.00 0.00 H new ATOM 1486 N GLU A 103 7.760 6.795 -7.953 1.00 0.00 N ATOM 1487 CA GLU A 103 6.561 5.990 -7.747 1.00 0.00 C ATOM 1488 C GLU A 103 6.913 4.576 -7.282 1.00 0.00 C ATOM 1489 O GLU A 103 6.031 3.802 -6.910 1.00 0.00 O ATOM 1490 CB GLU A 103 5.741 5.924 -9.036 1.00 0.00 C ATOM 1491 CG GLU A 103 5.042 7.229 -9.379 1.00 0.00 C ATOM 1492 CD GLU A 103 5.978 8.241 -10.011 1.00 0.00 C ATOM 1493 OE1 GLU A 103 6.959 7.820 -10.659 1.00 0.00 O ATOM 1494 OE2 GLU A 103 5.730 9.456 -9.859 1.00 0.00 O ATOM 0 H GLU A 103 8.018 6.924 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 103 5.969 6.467 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.397 5.645 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.995 5.135 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.217 7.027 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.610 7.655 -8.473 1.00 0.00 H new ATOM 1501 N GLN A 104 8.201 4.242 -7.307 1.00 0.00 N ATOM 1502 CA GLN A 104 8.654 2.920 -6.888 1.00 0.00 C ATOM 1503 C GLN A 104 8.579 2.774 -5.370 1.00 0.00 C ATOM 1504 O GLN A 104 8.980 3.672 -4.630 1.00 0.00 O ATOM 1505 CB GLN A 104 10.086 2.674 -7.365 1.00 0.00 C ATOM 1506 CG GLN A 104 10.176 2.216 -8.810 1.00 0.00 C ATOM 1507 CD GLN A 104 11.549 2.446 -9.411 1.00 0.00 C ATOM 1508 OE1 GLN A 104 12.447 2.972 -8.754 1.00 0.00 O ATOM 1509 NE2 GLN A 104 11.718 2.053 -10.669 1.00 0.00 N ATOM 0 H GLN A 104 8.947 4.867 -7.612 1.00 0.00 H new ATOM 0 HA GLN A 104 7.995 2.178 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.662 3.592 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 104 10.549 1.923 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 104 9.932 1.155 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 104 9.431 2.747 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.946 1.621 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.620 2.183 -11.127 1.00 0.00 H new ATOM 1518 N TRP A 105 8.064 1.636 -4.916 1.00 0.00 N ATOM 1519 CA TRP A 105 7.938 1.371 -3.487 1.00 0.00 C ATOM 1520 C TRP A 105 8.545 0.018 -3.130 1.00 0.00 C ATOM 1521 O TRP A 105 8.900 -0.766 -4.011 1.00 0.00 O ATOM 1522 CB TRP A 105 6.467 1.408 -3.067 1.00 0.00 C ATOM 1523 CG TRP A 105 5.808 2.728 -3.325 1.00 0.00 C ATOM 1524 CD1 TRP A 105 5.101 3.088 -4.436 1.00 0.00 C ATOM 1525 CD2 TRP A 105 5.795 3.866 -2.455 1.00 0.00 C ATOM 1526 NE1 TRP A 105 4.650 4.380 -4.311 1.00 0.00 N ATOM 1527 CE2 TRP A 105 5.063 4.878 -3.104 1.00 0.00 C ATOM 1528 CE3 TRP A 105 6.331 4.127 -1.191 1.00 0.00 C ATOM 1529 CZ2 TRP A 105 4.852 6.130 -2.529 1.00 0.00 C ATOM 1530 CZ3 TRP A 105 6.121 5.370 -0.622 1.00 0.00 C ATOM 1531 CH2 TRP A 105 5.387 6.357 -1.291 1.00 0.00 C ATOM 0 H TRP A 105 7.727 0.883 -5.516 1.00 0.00 H new ATOM 0 HA TRP A 105 8.482 2.148 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 105 5.924 0.629 -3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 105 6.394 1.175 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 105 4.922 2.450 -5.289 1.00 0.00 H new ATOM 0 HE1 TRP A 105 4.098 4.885 -5.004 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.899 3.372 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 4.286 6.893 -3.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 6.530 5.583 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 105 5.240 7.318 -0.820 1.00 0.00 H new ATOM 1542 N GLU A 106 8.661 -0.251 -1.833 1.00 0.00 N ATOM 1543 CA GLU A 106 9.227 -1.509 -1.362 1.00 0.00 C ATOM 1544 C GLU A 106 8.695 -1.860 0.027 1.00 0.00 C ATOM 1545 O GLU A 106 9.256 -1.438 1.038 1.00 0.00 O ATOM 1546 CB GLU A 106 10.753 -1.425 -1.329 1.00 0.00 C ATOM 1547 CG GLU A 106 11.437 -2.784 -1.315 1.00 0.00 C ATOM 1548 CD GLU A 106 12.763 -2.761 -0.580 1.00 0.00 C ATOM 1549 OE1 GLU A 106 13.715 -2.135 -1.093 1.00 0.00 O ATOM 1550 OE2 GLU A 106 12.849 -3.368 0.508 1.00 0.00 O ATOM 0 H GLU A 106 8.371 0.385 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 106 8.928 -2.295 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.097 -0.863 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.059 -0.864 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.778 -3.514 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.600 -3.115 -2.341 1.00 0.00 H new ATOM 1557 N PRO A 107 7.601 -2.640 0.096 1.00 0.00 N ATOM 1558 CA PRO A 107 7.000 -3.045 1.370 1.00 0.00 C ATOM 1559 C PRO A 107 8.021 -3.650 2.327 1.00 0.00 C ATOM 1560 O PRO A 107 8.991 -4.277 1.900 1.00 0.00 O ATOM 1561 CB PRO A 107 5.965 -4.094 0.958 1.00 0.00 C ATOM 1562 CG PRO A 107 5.615 -3.750 -0.447 1.00 0.00 C ATOM 1563 CD PRO A 107 6.869 -3.189 -1.061 1.00 0.00 C ATOM 0 HA PRO A 107 6.576 -2.197 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.374 -5.102 1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.088 -4.060 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.274 -4.631 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.805 -3.022 -0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.446 -3.960 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.645 -2.417 -1.798 1.00 0.00 H new ATOM 1571 N VAL A 108 7.798 -3.458 3.623 1.00 0.00 N ATOM 1572 CA VAL A 108 8.700 -3.986 4.640 1.00 0.00 C ATOM 1573 C VAL A 108 7.926 -4.483 5.856 1.00 0.00 C ATOM 1574 O VAL A 108 7.334 -3.695 6.592 1.00 0.00 O ATOM 1575 CB VAL A 108 9.719 -2.924 5.094 1.00 0.00 C ATOM 1576 CG1 VAL A 108 10.776 -3.548 5.991 1.00 0.00 C ATOM 1577 CG2 VAL A 108 10.358 -2.248 3.892 1.00 0.00 C ATOM 0 H VAL A 108 7.001 -2.941 3.994 1.00 0.00 H new ATOM 0 HA VAL A 108 9.234 -4.820 4.186 1.00 0.00 H new ATOM 0 HB VAL A 108 9.192 -2.163 5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.487 -2.783 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.298 -3.978 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.301 -4.331 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.075 -1.501 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.872 -2.994 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.586 -1.764 3.294 1.00 0.00 H new ATOM 1587 N PHE A 109 7.936 -5.796 6.061 1.00 0.00 N ATOM 1588 CA PHE A 109 7.236 -6.400 7.189 1.00 0.00 C ATOM 1589 C PHE A 109 8.168 -6.567 8.383 1.00 0.00 C ATOM 1590 O PHE A 109 9.323 -6.966 8.230 1.00 0.00 O ATOM 1591 CB PHE A 109 6.653 -7.756 6.787 1.00 0.00 C ATOM 1592 CG PHE A 109 5.640 -7.671 5.682 1.00 0.00 C ATOM 1593 CD1 PHE A 109 4.296 -7.492 5.968 1.00 0.00 C ATOM 1594 CD2 PHE A 109 6.031 -7.770 4.356 1.00 0.00 C ATOM 1595 CE1 PHE A 109 3.362 -7.413 4.953 1.00 0.00 C ATOM 1596 CE2 PHE A 109 5.102 -7.692 3.337 1.00 0.00 C ATOM 1597 CZ PHE A 109 3.765 -7.514 3.635 1.00 0.00 C ATOM 0 H PHE A 109 8.421 -6.462 5.460 1.00 0.00 H new ATOM 0 HA PHE A 109 6.423 -5.734 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.465 -8.413 6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.189 -8.216 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.975 -7.413 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.075 -7.910 4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.318 -7.272 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.421 -7.770 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.036 -7.454 2.840 1.00 0.00 H new ATOM 1607 N GLN A 110 7.660 -6.260 9.573 1.00 0.00 N ATOM 1608 CA GLN A 110 8.449 -6.377 10.793 1.00 0.00 C ATOM 1609 C GLN A 110 7.603 -6.930 11.937 1.00 0.00 C ATOM 1610 O GLN A 110 6.854 -6.196 12.579 1.00 0.00 O ATOM 1611 CB GLN A 110 9.027 -5.016 11.184 1.00 0.00 C ATOM 1612 CG GLN A 110 9.903 -5.061 12.426 1.00 0.00 C ATOM 1613 CD GLN A 110 10.898 -3.918 12.479 1.00 0.00 C ATOM 1614 OE1 GLN A 110 10.743 -2.980 13.261 1.00 0.00 O ATOM 1615 NE2 GLN A 110 11.927 -3.991 11.643 1.00 0.00 N ATOM 0 H GLN A 110 6.706 -5.929 9.717 1.00 0.00 H new ATOM 0 HA GLN A 110 9.268 -7.071 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.612 -4.626 10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.207 -4.317 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.271 -5.029 13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 110 10.442 -6.008 12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.016 -4.787 11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 110 12.629 -3.251 11.632 1.00 0.00 H new ATOM 1624 N ASP A 111 7.731 -8.230 12.184 1.00 0.00 N ATOM 1625 CA ASP A 111 6.980 -8.882 13.251 1.00 0.00 C ATOM 1626 C ASP A 111 5.478 -8.743 13.021 1.00 0.00 C ATOM 1627 O ASP A 111 4.735 -8.350 13.921 1.00 0.00 O ATOM 1628 CB ASP A 111 7.360 -8.286 14.607 1.00 0.00 C ATOM 1629 CG ASP A 111 8.702 -8.790 15.104 1.00 0.00 C ATOM 1630 OD1 ASP A 111 8.754 -9.921 15.631 1.00 0.00 O ATOM 1631 OD2 ASP A 111 9.701 -8.053 14.966 1.00 0.00 O ATOM 0 H ASP A 111 8.347 -8.852 11.660 1.00 0.00 H new ATOM 0 HA ASP A 111 7.233 -9.942 13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 111 7.390 -7.199 14.528 1.00 0.00 H new ATOM 0 HB3 ASP A 111 6.589 -8.532 15.338 1.00 0.00 H new ATOM 1636 N GLY A 112 5.037 -9.067 11.811 1.00 0.00 N ATOM 1637 CA GLY A 112 3.626 -8.972 11.485 1.00 0.00 C ATOM 1638 C GLY A 112 3.264 -7.635 10.866 1.00 0.00 C ATOM 1639 O GLY A 112 2.552 -7.580 9.864 1.00 0.00 O ATOM 0 H GLY A 112 5.631 -9.394 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.361 -9.773 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.036 -9.122 12.389 1.00 0.00 H new ATOM 1643 N LYS A 113 3.757 -6.557 11.464 1.00 0.00 N ATOM 1644 CA LYS A 113 3.483 -5.214 10.967 1.00 0.00 C ATOM 1645 C LYS A 113 4.074 -5.020 9.574 1.00 0.00 C ATOM 1646 O LYS A 113 4.686 -5.931 9.016 1.00 0.00 O ATOM 1647 CB LYS A 113 4.051 -4.166 11.925 1.00 0.00 C ATOM 1648 CG LYS A 113 3.163 -3.897 13.128 1.00 0.00 C ATOM 1649 CD LYS A 113 1.984 -3.009 12.764 1.00 0.00 C ATOM 1650 CE LYS A 113 1.223 -2.554 13.999 1.00 0.00 C ATOM 1651 NZ LYS A 113 1.030 -1.077 14.020 1.00 0.00 N ATOM 0 H LYS A 113 4.349 -6.587 12.294 1.00 0.00 H new ATOM 0 HA LYS A 113 2.402 -5.090 10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.030 -4.496 12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.204 -3.234 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.797 -4.842 13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.749 -3.421 13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.340 -2.138 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.311 -3.551 12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.252 -3.047 14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 113 1.765 -2.862 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.507 -0.807 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.957 -0.606 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 0.491 -0.785 13.180 1.00 0.00 H new ATOM 1665 N MET A 114 3.885 -3.828 9.016 1.00 0.00 N ATOM 1666 CA MET A 114 4.399 -3.516 7.688 1.00 0.00 C ATOM 1667 C MET A 114 4.622 -2.016 7.529 1.00 0.00 C ATOM 1668 O MET A 114 3.970 -1.207 8.188 1.00 0.00 O ATOM 1669 CB MET A 114 3.432 -4.017 6.613 1.00 0.00 C ATOM 1670 CG MET A 114 1.987 -3.619 6.862 1.00 0.00 C ATOM 1671 SD MET A 114 0.821 -4.925 6.429 1.00 0.00 S ATOM 1672 CE MET A 114 0.058 -5.238 8.018 1.00 0.00 C ATOM 0 H MET A 114 3.380 -3.063 9.463 1.00 0.00 H new ATOM 0 HA MET A 114 5.357 -4.022 7.569 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.746 -3.628 5.644 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.496 -5.104 6.556 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.862 -3.360 7.913 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.756 -2.725 6.283 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.378 -6.237 8.022 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.811 -5.167 8.803 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.724 -4.500 8.198 1.00 0.00 H new ATOM 1682 N ALA A 115 5.550 -1.651 6.649 1.00 0.00 N ATOM 1683 CA ALA A 115 5.859 -0.248 6.402 1.00 0.00 C ATOM 1684 C ALA A 115 6.439 -0.051 5.006 1.00 0.00 C ATOM 1685 O ALA A 115 7.599 -0.378 4.753 1.00 0.00 O ATOM 1686 CB ALA A 115 6.827 0.271 7.456 1.00 0.00 C ATOM 0 H ALA A 115 6.100 -2.308 6.096 1.00 0.00 H new ATOM 0 HA ALA A 115 4.931 0.320 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 115 7.050 1.320 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.376 0.174 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.749 -0.309 7.420 1.00 0.00 H new ATOM 1692 N LEU A 116 5.626 0.484 4.103 1.00 0.00 N ATOM 1693 CA LEU A 116 6.059 0.725 2.732 1.00 0.00 C ATOM 1694 C LEU A 116 7.230 1.701 2.695 1.00 0.00 C ATOM 1695 O LEU A 116 7.139 2.815 3.211 1.00 0.00 O ATOM 1696 CB LEU A 116 4.898 1.268 1.895 1.00 0.00 C ATOM 1697 CG LEU A 116 4.824 0.732 0.464 1.00 0.00 C ATOM 1698 CD1 LEU A 116 4.325 -0.704 0.458 1.00 0.00 C ATOM 1699 CD2 LEU A 116 3.925 1.614 -0.388 1.00 0.00 C ATOM 0 H LEU A 116 4.663 0.759 4.296 1.00 0.00 H new ATOM 0 HA LEU A 116 6.388 -0.224 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.963 1.033 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.975 2.355 1.856 1.00 0.00 H new ATOM 0 HG LEU A 116 5.827 0.748 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.279 -1.069 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.007 -1.329 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.331 -0.746 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.883 1.219 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.921 1.629 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.325 2.628 -0.410 1.00 0.00 H new ATOM 1711 N LEU A 117 8.329 1.276 2.080 1.00 0.00 N ATOM 1712 CA LEU A 117 9.518 2.114 1.975 1.00 0.00 C ATOM 1713 C LEU A 117 9.580 2.807 0.618 1.00 0.00 C ATOM 1714 O LEU A 117 9.604 2.152 -0.423 1.00 0.00 O ATOM 1715 CB LEU A 117 10.779 1.276 2.190 1.00 0.00 C ATOM 1716 CG LEU A 117 12.084 2.072 2.245 1.00 0.00 C ATOM 1717 CD1 LEU A 117 12.404 2.474 3.676 1.00 0.00 C ATOM 1718 CD2 LEU A 117 13.227 1.265 1.647 1.00 0.00 C ATOM 0 H LEU A 117 8.421 0.357 1.647 1.00 0.00 H new ATOM 0 HA LEU A 117 9.461 2.878 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.672 0.718 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.852 0.544 1.386 1.00 0.00 H new ATOM 0 HG LEU A 117 11.959 2.979 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.336 3.039 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.597 3.091 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.509 1.580 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.147 1.847 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.353 0.340 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.001 1.029 0.607 1.00 0.00 H new ATOM 1730 N ALA A 118 9.607 4.135 0.638 1.00 0.00 N ATOM 1731 CA ALA A 118 9.667 4.917 -0.589 1.00 0.00 C ATOM 1732 C ALA A 118 10.985 4.688 -1.321 1.00 0.00 C ATOM 1733 O ALA A 118 11.928 4.129 -0.761 1.00 0.00 O ATOM 1734 CB ALA A 118 9.482 6.395 -0.284 1.00 0.00 C ATOM 0 H ALA A 118 9.588 4.692 1.492 1.00 0.00 H new ATOM 0 HA ALA A 118 8.857 4.588 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.529 6.967 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.512 6.550 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 118 10.272 6.729 0.389 1.00 0.00 H new ATOM 1740 N SER A 119 11.043 5.126 -2.574 1.00 0.00 N ATOM 1741 CA SER A 119 12.247 4.971 -3.382 1.00 0.00 C ATOM 1742 C SER A 119 13.427 5.718 -2.761 1.00 0.00 C ATOM 1743 O SER A 119 14.581 5.464 -3.105 1.00 0.00 O ATOM 1744 CB SER A 119 12.000 5.478 -4.803 1.00 0.00 C ATOM 1745 OG SER A 119 12.988 4.994 -5.696 1.00 0.00 O ATOM 0 H SER A 119 10.271 5.591 -3.052 1.00 0.00 H new ATOM 0 HA SER A 119 12.493 3.910 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.013 5.159 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.002 6.568 -4.809 1.00 0.00 H new ATOM 0 HG SER A 119 12.692 5.136 -6.619 1.00 0.00 H new ATOM 1751 N ASN A 120 13.132 6.640 -1.846 1.00 0.00 N ATOM 1752 CA ASN A 120 14.174 7.418 -1.185 1.00 0.00 C ATOM 1753 C ASN A 120 14.574 6.789 0.149 1.00 0.00 C ATOM 1754 O ASN A 120 15.084 7.470 1.037 1.00 0.00 O ATOM 1755 CB ASN A 120 13.699 8.854 -0.961 1.00 0.00 C ATOM 1756 CG ASN A 120 14.802 9.756 -0.442 1.00 0.00 C ATOM 1757 OD1 ASN A 120 15.832 9.933 -1.092 1.00 0.00 O ATOM 1758 ND2 ASN A 120 14.593 10.329 0.738 1.00 0.00 N ATOM 0 H ASN A 120 12.183 6.865 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 120 15.049 7.425 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 120 13.316 9.257 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 120 12.871 8.853 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 120 15.301 10.944 1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 120 13.724 10.154 1.243 1.00 0.00 H new ATOM 1765 N SER A 121 14.341 5.485 0.282 1.00 0.00 N ATOM 1766 CA SER A 121 14.681 4.768 1.508 1.00 0.00 C ATOM 1767 C SER A 121 14.031 5.422 2.725 1.00 0.00 C ATOM 1768 O SER A 121 14.641 5.516 3.791 1.00 0.00 O ATOM 1769 CB SER A 121 16.200 4.721 1.690 1.00 0.00 C ATOM 1770 OG SER A 121 16.684 5.920 2.270 1.00 0.00 O ATOM 0 H SER A 121 13.919 4.905 -0.443 1.00 0.00 H new ATOM 0 HA SER A 121 14.299 3.751 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.467 3.874 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 121 16.680 4.561 0.724 1.00 0.00 H new ATOM 0 HG SER A 121 16.130 6.673 1.976 1.00 0.00 H new ATOM 1776 N CYS A 122 12.792 5.871 2.560 1.00 0.00 N ATOM 1777 CA CYS A 122 12.063 6.515 3.647 1.00 0.00 C ATOM 1778 C CYS A 122 10.629 6.000 3.719 1.00 0.00 C ATOM 1779 O CYS A 122 9.991 5.761 2.693 1.00 0.00 O ATOM 1780 CB CYS A 122 12.063 8.032 3.461 1.00 0.00 C ATOM 1781 SG CYS A 122 13.660 8.814 3.791 1.00 0.00 S ATOM 0 H CYS A 122 12.272 5.801 1.685 1.00 0.00 H new ATOM 0 HA CYS A 122 12.566 6.271 4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.762 8.262 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.313 8.469 4.121 1.00 0.00 H new ATOM 0 HG CYS A 122 13.620 9.413 4.944 1.00 0.00 H new ATOM 1787 N PHE A 123 10.127 5.832 4.939 1.00 0.00 N ATOM 1788 CA PHE A 123 8.767 5.346 5.145 1.00 0.00 C ATOM 1789 C PHE A 123 7.774 6.504 5.165 1.00 0.00 C ATOM 1790 O PHE A 123 8.004 7.522 5.817 1.00 0.00 O ATOM 1791 CB PHE A 123 8.677 4.562 6.456 1.00 0.00 C ATOM 1792 CG PHE A 123 9.574 3.357 6.496 1.00 0.00 C ATOM 1793 CD1 PHE A 123 9.228 2.197 5.822 1.00 0.00 C ATOM 1794 CD2 PHE A 123 10.761 3.384 7.209 1.00 0.00 C ATOM 1795 CE1 PHE A 123 10.050 1.086 5.857 1.00 0.00 C ATOM 1796 CE2 PHE A 123 11.588 2.276 7.249 1.00 0.00 C ATOM 1797 CZ PHE A 123 11.231 1.126 6.573 1.00 0.00 C ATOM 0 H PHE A 123 10.641 6.025 5.799 1.00 0.00 H new ATOM 0 HA PHE A 123 8.514 4.686 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.933 5.223 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.646 4.243 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.305 2.160 5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 123 11.044 4.281 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.770 0.189 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 123 12.511 2.310 7.808 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.874 0.259 6.604 1.00 0.00 H new ATOM 1807 N ILE A 124 6.669 6.340 4.444 1.00 0.00 N ATOM 1808 CA ILE A 124 5.640 7.371 4.378 1.00 0.00 C ATOM 1809 C ILE A 124 5.051 7.649 5.756 1.00 0.00 C ATOM 1810 O ILE A 124 4.985 6.761 6.606 1.00 0.00 O ATOM 1811 CB ILE A 124 4.504 6.970 3.418 1.00 0.00 C ATOM 1812 CG1 ILE A 124 3.956 5.590 3.788 1.00 0.00 C ATOM 1813 CG2 ILE A 124 4.996 6.983 1.978 1.00 0.00 C ATOM 1814 CD1 ILE A 124 2.666 5.241 3.080 1.00 0.00 C ATOM 0 H ILE A 124 6.464 5.503 3.898 1.00 0.00 H new ATOM 0 HA ILE A 124 6.121 8.274 4.003 1.00 0.00 H new ATOM 0 HB ILE A 124 3.697 7.697 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.706 4.835 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 124 3.792 5.550 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.181 6.697 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.341 7.984 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.819 6.277 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.337 4.249 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.901 5.974 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.829 5.248 2.002 1.00 0.00 H new ATOM 1826 N ARG A 125 4.622 8.889 5.972 1.00 0.00 N ATOM 1827 CA ARG A 125 4.036 9.285 7.247 1.00 0.00 C ATOM 1828 C ARG A 125 3.283 10.604 7.114 1.00 0.00 C ATOM 1829 O ARG A 125 3.774 11.552 6.500 1.00 0.00 O ATOM 1830 CB ARG A 125 5.126 9.412 8.313 1.00 0.00 C ATOM 1831 CG ARG A 125 4.630 9.142 9.725 1.00 0.00 C ATOM 1832 CD ARG A 125 4.608 7.654 10.033 1.00 0.00 C ATOM 1833 NE ARG A 125 3.856 7.357 11.250 1.00 0.00 N ATOM 1834 CZ ARG A 125 2.527 7.371 11.322 1.00 0.00 C ATOM 1835 NH1 ARG A 125 1.801 7.666 10.251 1.00 0.00 N ATOM 1836 NH2 ARG A 125 1.922 7.089 12.469 1.00 0.00 N ATOM 0 H ARG A 125 4.670 9.637 5.280 1.00 0.00 H new ATOM 0 HA ARG A 125 3.328 8.513 7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.933 8.717 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.549 10.416 8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.273 9.653 10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.628 9.554 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.166 7.117 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.630 7.291 10.141 1.00 0.00 H new ATOM 0 HE ARG A 125 4.380 7.125 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 125 2.261 7.883 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.783 7.675 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.475 6.862 13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.904 7.100 12.525 1.00 0.00 H new ATOM 1850 N CYS A 126 2.088 10.659 7.693 1.00 0.00 N ATOM 1851 CA CYS A 126 1.266 11.862 7.639 1.00 0.00 C ATOM 1852 C CYS A 126 1.664 12.842 8.738 1.00 0.00 C ATOM 1853 O CYS A 126 2.478 12.522 9.604 1.00 0.00 O ATOM 1854 CB CYS A 126 -0.214 11.501 7.774 1.00 0.00 C ATOM 1855 SG CYS A 126 -0.630 10.660 9.320 1.00 0.00 S ATOM 0 H CYS A 126 1.667 9.884 8.205 1.00 0.00 H new ATOM 0 HA CYS A 126 1.429 12.340 6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -0.808 12.412 7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -0.499 10.863 6.938 1.00 0.00 H new ATOM 0 HG CYS A 126 0.287 10.906 10.208 1.00 0.00 H new ATOM 1861 N ASN A 127 1.086 14.038 8.696 1.00 0.00 N ATOM 1862 CA ASN A 127 1.381 15.066 9.689 1.00 0.00 C ATOM 1863 C ASN A 127 0.107 15.522 10.394 1.00 0.00 C ATOM 1864 O ASN A 127 -0.986 15.038 10.097 1.00 0.00 O ATOM 1865 CB ASN A 127 2.072 16.260 9.029 1.00 0.00 C ATOM 1866 CG ASN A 127 3.579 16.221 9.199 1.00 0.00 C ATOM 1867 OD1 ASN A 127 4.085 16.072 10.311 1.00 0.00 O ATOM 1868 ND2 ASN A 127 4.303 16.356 8.095 1.00 0.00 N ATOM 0 H ASN A 127 0.411 14.320 7.985 1.00 0.00 H new ATOM 0 HA ASN A 127 2.051 14.636 10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 127 1.829 16.276 7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 127 1.684 17.184 9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 127 5.321 16.338 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.841 16.477 7.194 1.00 0.00 H new ATOM 1875 N GLU A 128 0.255 16.456 11.329 1.00 0.00 N ATOM 1876 CA GLU A 128 -0.884 16.976 12.076 1.00 0.00 C ATOM 1877 C GLU A 128 -1.542 18.135 11.333 1.00 0.00 C ATOM 1878 O GLU A 128 -2.752 18.339 11.428 1.00 0.00 O ATOM 1879 CB GLU A 128 -0.440 17.433 13.467 1.00 0.00 C ATOM 1880 CG GLU A 128 -0.421 16.316 14.497 1.00 0.00 C ATOM 1881 CD GLU A 128 -0.405 16.837 15.921 1.00 0.00 C ATOM 1882 OE1 GLU A 128 0.175 17.918 16.151 1.00 0.00 O ATOM 1883 OE2 GLU A 128 -0.973 16.162 16.807 1.00 0.00 O ATOM 0 H GLU A 128 1.152 16.867 11.587 1.00 0.00 H new ATOM 0 HA GLU A 128 -1.615 16.174 12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.557 17.868 13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -1.108 18.222 13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.296 15.682 14.356 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.456 15.690 14.333 1.00 0.00 H new ATOM 1890 N ALA A 129 -0.737 18.892 10.595 1.00 0.00 N ATOM 1891 CA ALA A 129 -1.243 20.030 9.837 1.00 0.00 C ATOM 1892 C ALA A 129 -1.903 19.578 8.539 1.00 0.00 C ATOM 1893 O ALA A 129 -2.962 20.079 8.162 1.00 0.00 O ATOM 1894 CB ALA A 129 -0.118 21.011 9.545 1.00 0.00 C ATOM 0 H ALA A 129 0.267 18.738 10.506 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.999 20.530 10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.510 21.856 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.306 21.369 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.658 20.513 8.963 1.00 0.00 H new ATOM 1900 N GLY A 130 -1.272 18.626 7.859 1.00 0.00 N ATOM 1901 CA GLY A 130 -1.813 18.123 6.611 1.00 0.00 C ATOM 1902 C GLY A 130 -0.767 18.042 5.517 1.00 0.00 C ATOM 1903 O GLY A 130 -0.983 18.524 4.405 1.00 0.00 O ATOM 0 H GLY A 130 -0.395 18.194 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.239 17.133 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.627 18.770 6.284 1.00 0.00 H new ATOM 1907 N ASP A 131 0.371 17.432 5.832 1.00 0.00 N ATOM 1908 CA ASP A 131 1.456 17.290 4.867 1.00 0.00 C ATOM 1909 C ASP A 131 2.150 15.942 5.024 1.00 0.00 C ATOM 1910 O ASP A 131 2.896 15.723 5.978 1.00 0.00 O ATOM 1911 CB ASP A 131 2.470 18.423 5.040 1.00 0.00 C ATOM 1912 CG ASP A 131 1.875 19.784 4.733 1.00 0.00 C ATOM 1913 OD1 ASP A 131 1.696 20.096 3.537 1.00 0.00 O ATOM 1914 OD2 ASP A 131 1.590 20.535 5.688 1.00 0.00 O ATOM 0 H ASP A 131 0.566 17.028 6.748 1.00 0.00 H new ATOM 0 HA ASP A 131 1.029 17.343 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.847 18.417 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.323 18.246 4.385 1.00 0.00 H new ATOM 1919 N ILE A 132 1.902 15.040 4.079 1.00 0.00 N ATOM 1920 CA ILE A 132 2.505 13.713 4.112 1.00 0.00 C ATOM 1921 C ILE A 132 3.905 13.733 3.511 1.00 0.00 C ATOM 1922 O ILE A 132 4.090 14.109 2.353 1.00 0.00 O ATOM 1923 CB ILE A 132 1.646 12.687 3.350 1.00 0.00 C ATOM 1924 CG1 ILE A 132 0.183 12.787 3.785 1.00 0.00 C ATOM 1925 CG2 ILE A 132 2.177 11.279 3.576 1.00 0.00 C ATOM 1926 CD1 ILE A 132 -0.747 11.897 2.988 1.00 0.00 C ATOM 0 H ILE A 132 1.288 15.204 3.281 1.00 0.00 H new ATOM 0 HA ILE A 132 2.565 13.418 5.160 1.00 0.00 H new ATOM 0 HB ILE A 132 1.703 12.909 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 132 0.107 12.525 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -0.146 13.822 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.559 10.565 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 132 3.205 11.216 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.148 11.046 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.768 12.019 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -0.701 12.173 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -0.443 10.857 3.104 1.00 0.00 H new ATOM 1938 N GLU A 133 4.890 13.325 4.305 1.00 0.00 N ATOM 1939 CA GLU A 133 6.275 13.296 3.850 1.00 0.00 C ATOM 1940 C GLU A 133 6.961 12.003 4.275 1.00 0.00 C ATOM 1941 O GLU A 133 6.448 11.263 5.114 1.00 0.00 O ATOM 1942 CB GLU A 133 7.042 14.499 4.405 1.00 0.00 C ATOM 1943 CG GLU A 133 6.907 14.663 5.910 1.00 0.00 C ATOM 1944 CD GLU A 133 8.147 15.263 6.544 1.00 0.00 C ATOM 1945 OE1 GLU A 133 8.870 16.006 5.847 1.00 0.00 O ATOM 1946 OE2 GLU A 133 8.396 14.989 7.736 1.00 0.00 O ATOM 0 H GLU A 133 4.755 13.010 5.266 1.00 0.00 H new ATOM 0 HA GLU A 133 6.274 13.345 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.097 14.395 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.685 15.405 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 133 6.048 15.299 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 133 6.706 13.691 6.361 1.00 0.00 H new ATOM 1953 N ALA A 134 8.125 11.736 3.691 1.00 0.00 N ATOM 1954 CA ALA A 134 8.881 10.532 4.009 1.00 0.00 C ATOM 1955 C ALA A 134 9.783 10.753 5.218 1.00 0.00 C ATOM 1956 O ALA A 134 10.708 11.564 5.175 1.00 0.00 O ATOM 1957 CB ALA A 134 9.706 10.094 2.807 1.00 0.00 C ATOM 0 H ALA A 134 8.564 12.338 2.995 1.00 0.00 H new ATOM 0 HA ALA A 134 8.171 9.743 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 134 10.266 9.193 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 134 9.043 9.886 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.401 10.888 2.533 1.00 0.00 H new ATOM 1963 N LYS A 135 9.508 10.026 6.295 1.00 0.00 N ATOM 1964 CA LYS A 135 10.295 10.142 7.518 1.00 0.00 C ATOM 1965 C LYS A 135 11.707 9.603 7.308 1.00 0.00 C ATOM 1966 O LYS A 135 12.050 9.143 6.220 1.00 0.00 O ATOM 1967 CB LYS A 135 9.611 9.391 8.662 1.00 0.00 C ATOM 1968 CG LYS A 135 9.474 10.214 9.934 1.00 0.00 C ATOM 1969 CD LYS A 135 10.256 9.602 11.085 1.00 0.00 C ATOM 1970 CE LYS A 135 10.576 10.635 12.152 1.00 0.00 C ATOM 1971 NZ LYS A 135 11.958 11.171 12.009 1.00 0.00 N ATOM 0 H LYS A 135 8.746 9.350 6.347 1.00 0.00 H new ATOM 0 HA LYS A 135 10.365 11.198 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.621 9.073 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 135 10.179 8.487 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 135 9.829 11.228 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 135 8.422 10.289 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 135 9.680 8.788 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.182 9.169 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 135 9.860 11.455 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 135 10.461 10.186 13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 12.137 11.873 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.643 10.393 12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 12.061 11.623 11.078 1.00 0.00 H new ATOM 1985 N ASN A 136 12.520 9.663 8.358 1.00 0.00 N ATOM 1986 CA ASN A 136 13.894 9.180 8.288 1.00 0.00 C ATOM 1987 C ASN A 136 13.932 7.696 7.936 1.00 0.00 C ATOM 1988 O ASN A 136 12.890 7.050 7.814 1.00 0.00 O ATOM 1989 CB ASN A 136 14.609 9.420 9.619 1.00 0.00 C ATOM 1990 CG ASN A 136 15.535 10.619 9.569 1.00 0.00 C ATOM 1991 OD1 ASN A 136 15.408 11.551 10.364 1.00 0.00 O ATOM 1992 ND2 ASN A 136 16.475 10.602 8.631 1.00 0.00 N ATOM 0 H ASN A 136 12.251 10.041 9.266 1.00 0.00 H new ATOM 0 HA ASN A 136 14.408 9.734 7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 136 13.868 9.569 10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 136 15.182 8.532 9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 136 17.128 11.382 8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 136 16.544 9.809 7.993 1.00 0.00 H new ATOM 1999 N LYS A 137 15.137 7.162 7.774 1.00 0.00 N ATOM 2000 CA LYS A 137 15.310 5.754 7.436 1.00 0.00 C ATOM 2001 C LYS A 137 14.750 4.858 8.537 1.00 0.00 C ATOM 2002 O LYS A 137 14.032 3.896 8.262 1.00 0.00 O ATOM 2003 CB LYS A 137 16.790 5.440 7.210 1.00 0.00 C ATOM 2004 CG LYS A 137 17.270 5.755 5.803 1.00 0.00 C ATOM 2005 CD LYS A 137 18.760 5.487 5.650 1.00 0.00 C ATOM 2006 CE LYS A 137 19.270 5.937 4.291 1.00 0.00 C ATOM 2007 NZ LYS A 137 20.675 6.424 4.358 1.00 0.00 N ATOM 0 H LYS A 137 16.009 7.683 7.871 1.00 0.00 H new ATOM 0 HA LYS A 137 14.760 5.556 6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 137 17.387 6.008 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 137 16.965 4.384 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 137 16.715 5.152 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 137 17.061 6.799 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 137 19.307 6.008 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 137 18.954 4.422 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 137 19.207 5.107 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 137 18.629 6.731 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 20.985 6.721 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.732 7.232 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 21.292 5.659 4.700 1.00 0.00 H new ATOM 2021 N THR A 138 15.085 5.180 9.781 1.00 0.00 N ATOM 2022 CA THR A 138 14.617 4.404 10.924 1.00 0.00 C ATOM 2023 C THR A 138 13.093 4.399 10.991 1.00 0.00 C ATOM 2024 O THR A 138 12.452 5.438 10.828 1.00 0.00 O ATOM 2025 CB THR A 138 15.195 4.970 12.222 1.00 0.00 C ATOM 2026 OG1 THR A 138 16.524 5.419 12.025 1.00 0.00 O ATOM 2027 CG2 THR A 138 15.212 3.970 13.357 1.00 0.00 C ATOM 0 H THR A 138 15.679 5.973 10.024 1.00 0.00 H new ATOM 0 HA THR A 138 14.960 3.377 10.799 1.00 0.00 H new ATOM 0 HB THR A 138 14.536 5.794 12.496 1.00 0.00 H new ATOM 0 HG1 THR A 138 16.876 5.779 12.866 1.00 0.00 H new ATOM 0 HG21 THR A 138 15.634 4.437 14.247 1.00 0.00 H new ATOM 0 HG22 THR A 138 14.194 3.641 13.568 1.00 0.00 H new ATOM 0 HG23 THR A 138 15.820 3.110 13.075 1.00 0.00 H new ATOM 2035 N ALA A 139 12.521 3.225 11.233 1.00 0.00 N ATOM 2036 CA ALA A 139 11.072 3.085 11.322 1.00 0.00 C ATOM 2037 C ALA A 139 10.632 2.838 12.760 1.00 0.00 C ATOM 2038 O ALA A 139 10.938 1.799 13.344 1.00 0.00 O ATOM 2039 CB ALA A 139 10.596 1.956 10.421 1.00 0.00 C ATOM 0 H ALA A 139 13.038 2.357 11.371 1.00 0.00 H new ATOM 0 HA ALA A 139 10.620 4.018 10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 139 9.513 1.862 10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 139 10.870 2.174 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 139 11.064 1.021 10.731 1.00 0.00 H new ATOM 2045 N GLY A 140 9.912 3.802 13.326 1.00 0.00 N ATOM 2046 CA GLY A 140 9.442 3.670 14.693 1.00 0.00 C ATOM 2047 C GLY A 140 8.154 2.877 14.789 1.00 0.00 C ATOM 2048 O GLY A 140 7.597 2.458 13.774 1.00 0.00 O ATOM 0 H GLY A 140 9.646 4.671 12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 140 10.211 3.183 15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 140 9.287 4.662 15.118 1.00 0.00 H new ATOM 2052 N GLU A 141 7.679 2.669 16.012 1.00 0.00 N ATOM 2053 CA GLU A 141 6.448 1.920 16.238 1.00 0.00 C ATOM 2054 C GLU A 141 5.266 2.598 15.552 1.00 0.00 C ATOM 2055 O GLU A 141 4.328 1.935 15.111 1.00 0.00 O ATOM 2056 CB GLU A 141 6.175 1.787 17.737 1.00 0.00 C ATOM 2057 CG GLU A 141 7.324 1.162 18.512 1.00 0.00 C ATOM 2058 CD GLU A 141 7.126 1.239 20.013 1.00 0.00 C ATOM 2059 OE1 GLU A 141 5.998 0.966 20.477 1.00 0.00 O ATOM 2060 OE2 GLU A 141 8.096 1.572 20.724 1.00 0.00 O ATOM 0 H GLU A 141 8.128 3.009 16.863 1.00 0.00 H new ATOM 0 HA GLU A 141 6.573 0.926 15.809 1.00 0.00 H new ATOM 0 HB2 GLU A 141 5.965 2.774 18.148 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.279 1.184 17.882 1.00 0.00 H new ATOM 0 HG2 GLU A 141 7.431 0.118 18.217 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.253 1.666 18.246 1.00 0.00 H new ATOM 2067 N GLU A 142 5.318 3.923 15.467 1.00 0.00 N ATOM 2068 CA GLU A 142 4.252 4.691 14.834 1.00 0.00 C ATOM 2069 C GLU A 142 4.394 4.672 13.316 1.00 0.00 C ATOM 2070 O GLU A 142 3.403 4.741 12.589 1.00 0.00 O ATOM 2071 CB GLU A 142 4.265 6.135 15.341 1.00 0.00 C ATOM 2072 CG GLU A 142 4.420 6.249 16.849 1.00 0.00 C ATOM 2073 CD GLU A 142 3.460 7.251 17.461 1.00 0.00 C ATOM 2074 OE1 GLU A 142 2.244 7.149 17.191 1.00 0.00 O ATOM 2075 OE2 GLU A 142 3.923 8.138 18.209 1.00 0.00 O ATOM 0 H GLU A 142 6.087 4.487 15.828 1.00 0.00 H new ATOM 0 HA GLU A 142 3.301 4.229 15.097 1.00 0.00 H new ATOM 0 HB2 GLU A 142 5.081 6.673 14.859 1.00 0.00 H new ATOM 0 HB3 GLU A 142 3.339 6.625 15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 142 4.256 5.271 17.302 1.00 0.00 H new ATOM 0 HG3 GLU A 142 5.443 6.542 17.084 1.00 0.00 H new ATOM 2082 N GLU A 143 5.633 4.577 12.843 1.00 0.00 N ATOM 2083 CA GLU A 143 5.905 4.549 11.410 1.00 0.00 C ATOM 2084 C GLU A 143 5.193 3.377 10.740 1.00 0.00 C ATOM 2085 O GLU A 143 4.855 3.439 9.558 1.00 0.00 O ATOM 2086 CB GLU A 143 7.413 4.457 11.160 1.00 0.00 C ATOM 2087 CG GLU A 143 8.049 5.786 10.789 1.00 0.00 C ATOM 2088 CD GLU A 143 8.374 6.637 12.001 1.00 0.00 C ATOM 2089 OE1 GLU A 143 9.385 6.348 12.674 1.00 0.00 O ATOM 2090 OE2 GLU A 143 7.617 7.592 12.276 1.00 0.00 O ATOM 0 H GLU A 143 6.464 4.518 13.431 1.00 0.00 H new ATOM 0 HA GLU A 143 5.526 5.474 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 143 7.898 4.069 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 143 7.597 3.739 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 143 8.963 5.602 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 143 7.374 6.337 10.134 1.00 0.00 H new ATOM 2097 N MET A 144 4.968 2.311 11.501 1.00 0.00 N ATOM 2098 CA MET A 144 4.295 1.126 10.978 1.00 0.00 C ATOM 2099 C MET A 144 2.910 1.477 10.443 1.00 0.00 C ATOM 2100 O MET A 144 2.239 2.367 10.965 1.00 0.00 O ATOM 2101 CB MET A 144 4.178 0.058 12.067 1.00 0.00 C ATOM 2102 CG MET A 144 5.514 -0.334 12.679 1.00 0.00 C ATOM 2103 SD MET A 144 6.372 -1.598 11.721 1.00 0.00 S ATOM 2104 CE MET A 144 7.988 -0.848 11.543 1.00 0.00 C ATOM 0 H MET A 144 5.241 2.243 12.481 1.00 0.00 H new ATOM 0 HA MET A 144 4.893 0.733 10.156 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.520 0.425 12.855 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.706 -0.829 11.645 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.147 0.550 12.757 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.352 -0.700 13.693 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.636 -1.512 10.971 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.892 0.104 11.021 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.421 -0.679 12.529 1.00 0.00 H new ATOM 2114 N ILE A 145 2.490 0.771 9.399 1.00 0.00 N ATOM 2115 CA ILE A 145 1.185 1.007 8.792 1.00 0.00 C ATOM 2116 C ILE A 145 0.415 -0.297 8.619 1.00 0.00 C ATOM 2117 O ILE A 145 0.956 -1.382 8.831 1.00 0.00 O ATOM 2118 CB ILE A 145 1.318 1.695 7.419 1.00 0.00 C ATOM 2119 CG1 ILE A 145 2.398 1.010 6.580 1.00 0.00 C ATOM 2120 CG2 ILE A 145 1.636 3.174 7.597 1.00 0.00 C ATOM 2121 CD1 ILE A 145 2.127 1.054 5.092 1.00 0.00 C ATOM 0 H ILE A 145 3.034 0.031 8.955 1.00 0.00 H new ATOM 0 HA ILE A 145 0.638 1.664 9.468 1.00 0.00 H new ATOM 0 HB ILE A 145 0.368 1.607 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 145 3.358 1.486 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 145 2.486 -0.030 6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 145 1.727 3.647 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 145 0.834 3.653 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 145 2.575 3.281 8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 145 2.934 0.550 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 145 1.183 0.553 4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 145 2.069 2.092 4.763 1.00 0.00 H new ATOM 2133 N LYS A 146 -0.852 -0.184 8.232 1.00 0.00 N ATOM 2134 CA LYS A 146 -1.698 -1.355 8.030 1.00 0.00 C ATOM 2135 C LYS A 146 -2.199 -1.422 6.591 1.00 0.00 C ATOM 2136 O LYS A 146 -3.090 -0.669 6.198 1.00 0.00 O ATOM 2137 CB LYS A 146 -2.886 -1.324 8.995 1.00 0.00 C ATOM 2138 CG LYS A 146 -2.526 -1.721 10.418 1.00 0.00 C ATOM 2139 CD LYS A 146 -3.631 -2.537 11.067 1.00 0.00 C ATOM 2140 CE LYS A 146 -3.625 -2.381 12.578 1.00 0.00 C ATOM 2141 NZ LYS A 146 -3.748 -0.955 12.991 1.00 0.00 N ATOM 0 H LYS A 146 -1.315 0.707 8.052 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.100 -2.244 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -3.310 -0.320 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -3.661 -1.995 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 146 -1.602 -2.299 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 146 -2.339 -0.825 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -4.597 -2.223 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -3.508 -3.589 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 146 -4.448 -2.955 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -2.702 -2.797 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -4.466 -0.871 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -2.832 -0.617 13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -4.032 -0.380 12.172 1.00 0.00 H new ATOM 2155 N ILE A 147 -1.623 -2.331 5.812 1.00 0.00 N ATOM 2156 CA ILE A 147 -2.012 -2.498 4.417 1.00 0.00 C ATOM 2157 C ILE A 147 -3.060 -3.595 4.267 1.00 0.00 C ATOM 2158 O ILE A 147 -2.808 -4.757 4.585 1.00 0.00 O ATOM 2159 CB ILE A 147 -0.797 -2.841 3.531 1.00 0.00 C ATOM 2160 CG1 ILE A 147 0.347 -1.860 3.794 1.00 0.00 C ATOM 2161 CG2 ILE A 147 -1.191 -2.823 2.062 1.00 0.00 C ATOM 2162 CD1 ILE A 147 1.699 -2.378 3.354 1.00 0.00 C ATOM 0 H ILE A 147 -0.885 -2.963 6.123 1.00 0.00 H new ATOM 0 HA ILE A 147 -2.434 -1.547 4.091 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.454 -3.845 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 147 0.139 -0.924 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 147 0.383 -1.633 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -0.323 -3.067 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -1.977 -3.558 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -1.556 -1.831 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 147 2.463 -1.631 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.928 -3.298 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.681 -2.578 2.283 1.00 0.00 H new ATOM 2174 N ARG A 148 -4.239 -3.218 3.782 1.00 0.00 N ATOM 2175 CA ARG A 148 -5.327 -4.170 3.591 1.00 0.00 C ATOM 2176 C ARG A 148 -5.560 -4.441 2.108 1.00 0.00 C ATOM 2177 O ARG A 148 -5.277 -3.594 1.260 1.00 0.00 O ATOM 2178 CB ARG A 148 -6.612 -3.642 4.232 1.00 0.00 C ATOM 2179 CG ARG A 148 -6.567 -3.614 5.751 1.00 0.00 C ATOM 2180 CD ARG A 148 -7.608 -2.665 6.321 1.00 0.00 C ATOM 2181 NE ARG A 148 -7.163 -2.049 7.570 1.00 0.00 N ATOM 2182 CZ ARG A 148 -7.192 -2.663 8.750 1.00 0.00 C ATOM 2183 NH1 ARG A 148 -7.644 -3.907 8.849 1.00 0.00 N ATOM 2184 NH2 ARG A 148 -6.767 -2.030 9.836 1.00 0.00 N ATOM 0 H ARG A 148 -4.465 -2.260 3.514 1.00 0.00 H new ATOM 0 HA ARG A 148 -5.046 -5.106 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -6.804 -2.634 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -7.449 -4.263 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -6.737 -4.618 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -5.574 -3.308 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -7.827 -1.886 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -8.537 -3.208 6.496 1.00 0.00 H new ATOM 0 HE ARG A 148 -6.810 -1.093 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -7.972 -4.398 8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.663 -4.372 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -6.419 -1.074 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.789 -2.499 10.741 1.00 0.00 H new ATOM 2198 N SER A 149 -6.077 -5.627 1.802 1.00 0.00 N ATOM 2199 CA SER A 149 -6.348 -6.010 0.422 1.00 0.00 C ATOM 2200 C SER A 149 -7.772 -6.537 0.273 1.00 0.00 C ATOM 2201 O SER A 149 -8.328 -7.121 1.203 1.00 0.00 O ATOM 2202 CB SER A 149 -5.348 -7.072 -0.041 1.00 0.00 C ATOM 2203 OG SER A 149 -5.612 -7.475 -1.373 1.00 0.00 O ATOM 0 H SER A 149 -6.316 -6.339 2.492 1.00 0.00 H new ATOM 0 HA SER A 149 -6.241 -5.123 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 149 -4.335 -6.677 0.028 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.399 -7.937 0.621 1.00 0.00 H new ATOM 0 HG SER A 149 -4.959 -8.153 -1.645 1.00 0.00 H new ATOM 2209 N CYS A 150 -8.356 -6.326 -0.902 1.00 0.00 N ATOM 2210 CA CYS A 150 -9.715 -6.779 -1.173 1.00 0.00 C ATOM 2211 C CYS A 150 -9.727 -7.830 -2.279 1.00 0.00 C ATOM 2212 O CYS A 150 -10.680 -7.921 -3.052 1.00 0.00 O ATOM 2213 CB CYS A 150 -10.600 -5.597 -1.569 1.00 0.00 C ATOM 2214 SG CYS A 150 -9.946 -4.610 -2.936 1.00 0.00 S ATOM 0 H CYS A 150 -7.909 -5.844 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 150 -10.109 -7.230 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -11.586 -5.971 -1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.735 -4.951 -0.701 1.00 0.00 H new ATOM 0 HG CYS A 150 -8.684 -4.373 -2.735 1.00 0.00 H new ATOM 2220 N ALA A 151 -8.661 -8.621 -2.347 1.00 0.00 N ATOM 2221 CA ALA A 151 -8.549 -9.666 -3.357 1.00 0.00 C ATOM 2222 C ALA A 151 -9.659 -10.700 -3.204 1.00 0.00 C ATOM 2223 O ALA A 151 -10.553 -10.548 -2.372 1.00 0.00 O ATOM 2224 CB ALA A 151 -7.185 -10.336 -3.274 1.00 0.00 C ATOM 0 H ALA A 151 -7.863 -8.558 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 151 -8.655 -9.202 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -7.115 -11.114 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -6.404 -9.594 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -7.057 -10.780 -2.287 1.00 0.00 H new