USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 92 TYR OH : rot 165:sc= -0.537 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= -0.0489 USER MOD Set 2.1: A 80 LYS NZ :NH3+ -122:sc= 0.0596! (180deg=-1.08!) USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 55 SER OG : rot 21:sc= 0.579 USER MOD Set 3.2: A 64 HIS : no HD1:sc= 0 X(o=0.58,f=0.58) USER MOD Set 4.1: A 35 HIS : no HE2:sc= -1.79 K(o=-2.5,f=-4.8!) USER MOD Set 4.2: A 39 THR OG1 : rot -130:sc= -0.757 USER MOD Set 5.1: A 23 MET CE :methyl -133:sc= -5.68! (180deg=-8.1!) USER MOD Set 5.2: A 28 THR OG1 : rot 66:sc= 0.758 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -29:sc= 1.13 USER MOD Single : A 16 TYR OH : rot 165:sc= -0.535 USER MOD Single : A 22 ASN : amide:sc= -5.41! C(o=-5.4!,f=-3.2!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 27 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 30 ASN : amide:sc= -5.42! C(o=-5.4!,f=-12!) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -3.07! (180deg=-5.99!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 136:sc= 1.24 USER MOD Single : A 57 LYS NZ :NH3+ -137:sc= -0.255 (180deg=-2.33!) USER MOD Single : A 59 ASN : amide:sc= -0.0715 K(o=-0.072,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= 0.301 (180deg=-0.589) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-5.1!) USER MOD Single : A 77 THR OG1 : rot -52:sc= 0.564 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -3:sc= 1.08 USER MOD Single : A 93 GLN : amide:sc= -1.66! K(o=-1.7!,f=-1) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -7.7! C(o=-7.7!,f=-14!) USER MOD Single : A 96 SER OG : rot 120:sc=-0.00918 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= 0.279 (180deg=0.167) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0626 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -58:sc= 0.392 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.548 -11.331 -9.269 1.00 0.00 N ATOM 117 CA ILE A 11 1.778 -9.927 -9.583 1.00 0.00 C ATOM 118 C ILE A 11 3.020 -9.401 -8.871 1.00 0.00 C ATOM 119 O ILE A 11 3.252 -9.702 -7.700 1.00 0.00 O ATOM 120 CB ILE A 11 0.569 -9.056 -9.190 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.706 -9.592 -9.845 1.00 0.00 C ATOM 122 CG2 ILE A 11 0.808 -7.608 -9.589 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.970 -9.194 -9.119 1.00 0.00 C ATOM 0 HA ILE A 11 1.925 -9.865 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 11 0.445 -9.098 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.757 -9.230 -10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.651 -10.680 -9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.055 -7.005 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.696 -7.232 -9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.954 -7.547 -10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.834 -9.608 -9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.941 -9.579 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.049 -8.107 -9.094 1.00 0.00 H new ATOM 135 N ASP A 12 3.817 -8.613 -9.586 1.00 0.00 N ATOM 136 CA ASP A 12 5.035 -8.043 -9.023 1.00 0.00 C ATOM 137 C ASP A 12 4.801 -6.605 -8.570 1.00 0.00 C ATOM 138 O ASP A 12 4.700 -5.693 -9.390 1.00 0.00 O ATOM 139 CB ASP A 12 6.167 -8.090 -10.050 1.00 0.00 C ATOM 140 CG ASP A 12 7.455 -7.490 -9.519 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.382 -6.648 -8.600 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.534 -7.862 -10.023 1.00 0.00 O ATOM 0 H ASP A 12 3.641 -8.355 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 12 5.319 -8.637 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.345 -9.125 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.862 -7.552 -10.948 1.00 0.00 H new ATOM 147 N TYR A 13 4.716 -6.410 -7.258 1.00 0.00 N ATOM 148 CA TYR A 13 4.492 -5.084 -6.696 1.00 0.00 C ATOM 149 C TYR A 13 5.803 -4.312 -6.578 1.00 0.00 C ATOM 150 O TYR A 13 5.813 -3.081 -6.556 1.00 0.00 O ATOM 151 CB TYR A 13 3.829 -5.196 -5.321 1.00 0.00 C ATOM 152 CG TYR A 13 2.725 -6.228 -5.263 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.720 -6.253 -6.222 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.688 -7.178 -4.250 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.710 -7.193 -6.173 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.683 -8.124 -4.194 1.00 0.00 C ATOM 157 CZ TYR A 13 0.695 -8.127 -5.157 1.00 0.00 C ATOM 158 OH TYR A 13 -0.309 -9.066 -5.104 1.00 0.00 O ATOM 0 H TYR A 13 4.799 -7.154 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 13 3.830 -4.539 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.588 -5.447 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.421 -4.224 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.729 -5.525 -7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.458 -7.177 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.064 -7.197 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.671 -8.857 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.171 -9.649 -4.328 1.00 0.00 H new ATOM 168 N THR A 14 6.909 -5.046 -6.506 1.00 0.00 N ATOM 169 CA THR A 14 8.226 -4.433 -6.391 1.00 0.00 C ATOM 170 C THR A 14 8.696 -3.884 -7.734 1.00 0.00 C ATOM 171 O THR A 14 9.828 -3.417 -7.862 1.00 0.00 O ATOM 172 CB THR A 14 9.270 -5.437 -5.866 1.00 0.00 C ATOM 173 OG1 THR A 14 9.555 -6.417 -6.870 1.00 0.00 O ATOM 174 CG2 THR A 14 8.770 -6.126 -4.605 1.00 0.00 C ATOM 0 H THR A 14 6.919 -6.066 -6.525 1.00 0.00 H new ATOM 0 HA THR A 14 8.132 -3.613 -5.679 1.00 0.00 H new ATOM 0 HB THR A 14 10.181 -4.889 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.766 -6.543 -7.437 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.523 -6.830 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.581 -5.380 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.847 -6.662 -4.825 1.00 0.00 H new ATOM 182 N ALA A 15 7.820 -3.945 -8.731 1.00 0.00 N ATOM 183 CA ALA A 15 8.145 -3.451 -10.064 1.00 0.00 C ATOM 184 C ALA A 15 7.612 -2.038 -10.271 1.00 0.00 C ATOM 185 O ALA A 15 8.114 -1.292 -11.113 1.00 0.00 O ATOM 186 CB ALA A 15 7.587 -4.388 -11.124 1.00 0.00 C ATOM 0 H ALA A 15 6.880 -4.331 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 15 9.230 -3.419 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.837 -4.007 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.020 -5.380 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.504 -4.449 -11.022 1.00 0.00 H new ATOM 192 N TYR A 16 6.595 -1.676 -9.498 1.00 0.00 N ATOM 193 CA TYR A 16 5.991 -0.352 -9.600 1.00 0.00 C ATOM 194 C TYR A 16 6.857 0.695 -8.906 1.00 0.00 C ATOM 195 O TYR A 16 7.561 0.413 -7.937 1.00 0.00 O ATOM 196 CB TYR A 16 4.590 -0.359 -8.986 1.00 0.00 C ATOM 197 CG TYR A 16 3.573 -1.117 -9.809 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.063 -0.581 -10.985 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.121 -2.369 -9.409 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.132 -1.270 -11.739 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.192 -3.065 -10.158 1.00 0.00 C ATOM 202 CZ TYR A 16 1.701 -2.512 -11.322 1.00 0.00 C ATOM 203 OH TYR A 16 0.774 -3.202 -12.069 1.00 0.00 O ATOM 0 H TYR A 16 6.171 -2.280 -8.794 1.00 0.00 H new ATOM 0 HA TYR A 16 5.916 -0.094 -10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.641 -0.800 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.251 0.670 -8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.400 0.390 -11.315 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.502 -2.805 -8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.744 -0.838 -12.650 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.852 -4.037 -9.834 1.00 0.00 H new ATOM 0 HH TYR A 16 0.753 -4.138 -11.780 1.00 0.00 H new ATOM 213 N PRO A 17 6.804 1.936 -9.414 1.00 0.00 N ATOM 214 CA PRO A 17 7.576 3.052 -8.860 1.00 0.00 C ATOM 215 C PRO A 17 7.065 3.486 -7.491 1.00 0.00 C ATOM 216 O PRO A 17 7.808 4.058 -6.694 1.00 0.00 O ATOM 217 CB PRO A 17 7.370 4.170 -9.887 1.00 0.00 C ATOM 218 CG PRO A 17 6.075 3.844 -10.546 1.00 0.00 C ATOM 219 CD PRO A 17 5.987 2.344 -10.570 1.00 0.00 C ATOM 0 HA PRO A 17 8.621 2.786 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.335 5.148 -9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.186 4.199 -10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.238 4.275 -9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.037 4.253 -11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.957 2.000 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.376 1.933 -11.502 1.00 0.00 H new ATOM 227 N TRP A 18 5.793 3.211 -7.225 1.00 0.00 N ATOM 228 CA TRP A 18 5.183 3.573 -5.950 1.00 0.00 C ATOM 229 C TRP A 18 5.455 2.508 -4.894 1.00 0.00 C ATOM 230 O TRP A 18 4.813 2.483 -3.844 1.00 0.00 O ATOM 231 CB TRP A 18 3.676 3.768 -6.121 1.00 0.00 C ATOM 232 CG TRP A 18 3.038 2.731 -6.995 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.636 2.888 -8.290 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.726 1.381 -6.635 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.094 1.715 -8.758 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.138 0.776 -7.763 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.888 0.624 -5.472 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.712 -0.550 -7.759 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.465 -0.691 -5.470 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.883 -1.268 -6.606 1.00 0.00 C ATOM 0 H TRP A 18 5.164 2.739 -7.875 1.00 0.00 H new ATOM 0 HA TRP A 18 5.628 4.510 -5.615 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.201 3.748 -5.140 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.490 4.755 -6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.730 3.799 -8.862 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.719 1.568 -9.695 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.336 1.059 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.263 -0.996 -8.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.585 -1.285 -4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.563 -2.299 -6.572 1.00 0.00 H new ATOM 251 N PHE A 19 6.410 1.627 -5.179 1.00 0.00 N ATOM 252 CA PHE A 19 6.765 0.559 -4.253 1.00 0.00 C ATOM 253 C PHE A 19 7.937 0.972 -3.369 1.00 0.00 C ATOM 254 O PHE A 19 8.967 1.434 -3.860 1.00 0.00 O ATOM 255 CB PHE A 19 7.119 -0.715 -5.024 1.00 0.00 C ATOM 256 CG PHE A 19 7.987 -1.664 -4.249 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.425 -2.593 -3.388 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.366 -1.626 -4.380 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.222 -3.466 -2.673 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.168 -2.497 -3.666 1.00 0.00 C ATOM 261 CZ PHE A 19 9.596 -3.419 -2.813 1.00 0.00 C ATOM 0 H PHE A 19 6.951 1.633 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 19 5.903 0.364 -3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.199 -1.226 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.629 -0.441 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.352 -2.635 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.819 -0.908 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.771 -4.185 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.242 -2.456 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.221 -4.102 -2.256 1.00 0.00 H new ATOM 271 N ALA A 20 7.771 0.806 -2.061 1.00 0.00 N ATOM 272 CA ALA A 20 8.815 1.160 -1.107 1.00 0.00 C ATOM 273 C ALA A 20 9.620 -0.067 -0.693 1.00 0.00 C ATOM 274 O ALA A 20 10.821 -0.150 -0.953 1.00 0.00 O ATOM 275 CB ALA A 20 8.207 1.831 0.116 1.00 0.00 C ATOM 0 H ALA A 20 6.923 0.429 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 20 9.494 1.861 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.998 2.090 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.682 2.736 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.505 1.148 0.594 1.00 0.00 H new ATOM 281 N GLY A 21 8.953 -1.017 -0.047 1.00 0.00 N ATOM 282 CA GLY A 21 9.624 -2.227 0.393 1.00 0.00 C ATOM 283 C GLY A 21 10.074 -2.148 1.839 1.00 0.00 C ATOM 284 O GLY A 21 11.127 -1.588 2.138 1.00 0.00 O ATOM 0 H GLY A 21 7.960 -0.971 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.952 -3.076 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.489 -2.411 -0.244 1.00 0.00 H new ATOM 288 N ASN A 22 9.271 -2.707 2.738 1.00 0.00 N ATOM 289 CA ASN A 22 9.591 -2.696 4.160 1.00 0.00 C ATOM 290 C ASN A 22 10.337 -1.420 4.540 1.00 0.00 C ATOM 291 O ASN A 22 11.423 -1.472 5.116 1.00 0.00 O ATOM 292 CB ASN A 22 10.433 -3.920 4.525 1.00 0.00 C ATOM 293 CG ASN A 22 11.874 -3.786 4.071 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.779 -3.614 4.887 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.092 -3.865 2.764 1.00 0.00 N ATOM 0 H ASN A 22 8.394 -3.173 2.507 1.00 0.00 H new ATOM 0 HA ASN A 22 8.655 -2.729 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.407 -4.067 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.993 -4.809 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.041 -3.782 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.311 -4.008 2.124 1.00 0.00 H new ATOM 302 N MET A 23 9.746 -0.276 4.212 1.00 0.00 N ATOM 303 CA MET A 23 10.353 1.014 4.519 1.00 0.00 C ATOM 304 C MET A 23 10.219 1.338 6.004 1.00 0.00 C ATOM 305 O MET A 23 9.325 0.830 6.681 1.00 0.00 O ATOM 306 CB MET A 23 9.706 2.119 3.684 1.00 0.00 C ATOM 307 CG MET A 23 10.320 3.491 3.911 1.00 0.00 C ATOM 308 SD MET A 23 10.200 4.555 2.460 1.00 0.00 S ATOM 309 CE MET A 23 8.427 4.787 2.356 1.00 0.00 C ATOM 0 H MET A 23 8.847 -0.216 3.734 1.00 0.00 H new ATOM 0 HA MET A 23 11.413 0.956 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.791 1.862 2.628 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.642 2.163 3.917 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.822 3.973 4.752 1.00 0.00 H new ATOM 0 HG3 MET A 23 11.368 3.375 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.099 4.631 1.328 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.927 4.071 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.174 5.800 2.668 1.00 0.00 H new ATOM 319 N GLU A 24 11.112 2.186 6.504 1.00 0.00 N ATOM 320 CA GLU A 24 11.092 2.576 7.909 1.00 0.00 C ATOM 321 C GLU A 24 9.947 3.546 8.188 1.00 0.00 C ATOM 322 O GLU A 24 9.741 4.508 7.449 1.00 0.00 O ATOM 323 CB GLU A 24 12.425 3.215 8.303 1.00 0.00 C ATOM 324 CG GLU A 24 13.466 2.213 8.772 1.00 0.00 C ATOM 325 CD GLU A 24 14.853 2.817 8.877 1.00 0.00 C ATOM 326 OE1 GLU A 24 15.141 3.774 8.128 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.650 2.332 9.707 1.00 0.00 O ATOM 0 H GLU A 24 11.858 2.616 5.957 1.00 0.00 H new ATOM 0 HA GLU A 24 10.938 1.678 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.821 3.765 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.249 3.942 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.172 1.817 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.492 1.371 8.080 1.00 0.00 H new ATOM 334 N ARG A 25 9.207 3.285 9.260 1.00 0.00 N ATOM 335 CA ARG A 25 8.083 4.134 9.637 1.00 0.00 C ATOM 336 C ARG A 25 8.443 5.609 9.494 1.00 0.00 C ATOM 337 O ARG A 25 7.905 6.308 8.636 1.00 0.00 O ATOM 338 CB ARG A 25 7.655 3.840 11.076 1.00 0.00 C ATOM 339 CG ARG A 25 6.239 4.294 11.395 1.00 0.00 C ATOM 340 CD ARG A 25 5.787 3.793 12.758 1.00 0.00 C ATOM 341 NE ARG A 25 6.476 4.478 13.849 1.00 0.00 N ATOM 342 CZ ARG A 25 6.126 4.363 15.125 1.00 0.00 C ATOM 343 NH1 ARG A 25 5.101 3.594 15.468 1.00 0.00 N ATOM 344 NH2 ARG A 25 6.801 5.017 16.061 1.00 0.00 N ATOM 0 H ARG A 25 9.365 2.493 9.883 1.00 0.00 H new ATOM 0 HA ARG A 25 7.253 3.914 8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.734 2.768 11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.348 4.331 11.760 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.191 5.383 11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.557 3.929 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.712 3.939 12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.971 2.721 12.829 1.00 0.00 H new ATOM 0 HE ARG A 25 7.269 5.077 13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.580 3.089 14.751 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.834 3.507 16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.590 5.609 15.801 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.531 4.928 17.041 1.00 0.00 H new ATOM 358 N GLN A 26 9.355 6.075 10.340 1.00 0.00 N ATOM 359 CA GLN A 26 9.786 7.468 10.307 1.00 0.00 C ATOM 360 C GLN A 26 10.153 7.891 8.889 1.00 0.00 C ATOM 361 O GLN A 26 9.728 8.945 8.417 1.00 0.00 O ATOM 362 CB GLN A 26 10.982 7.676 11.239 1.00 0.00 C ATOM 363 CG GLN A 26 11.909 8.797 10.799 1.00 0.00 C ATOM 364 CD GLN A 26 13.156 8.894 11.654 1.00 0.00 C ATOM 365 OE1 GLN A 26 13.867 7.907 11.850 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.429 10.086 12.170 1.00 0.00 N ATOM 0 H GLN A 26 9.810 5.509 11.057 1.00 0.00 H new ATOM 0 HA GLN A 26 8.956 8.087 10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.616 7.891 12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.551 6.748 11.299 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.197 8.638 9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.371 9.744 10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.813 10.877 11.982 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.255 10.211 12.755 1.00 0.00 H new ATOM 375 N GLN A 27 10.944 7.063 8.215 1.00 0.00 N ATOM 376 CA GLN A 27 11.369 7.354 6.850 1.00 0.00 C ATOM 377 C GLN A 27 10.164 7.573 5.941 1.00 0.00 C ATOM 378 O GLN A 27 10.277 8.187 4.879 1.00 0.00 O ATOM 379 CB GLN A 27 12.229 6.211 6.308 1.00 0.00 C ATOM 380 CG GLN A 27 13.204 6.646 5.225 1.00 0.00 C ATOM 381 CD GLN A 27 13.913 5.476 4.573 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.922 4.986 5.081 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.388 5.019 3.443 1.00 0.00 N ATOM 0 H GLN A 27 11.304 6.186 8.591 1.00 0.00 H new ATOM 0 HA GLN A 27 11.961 8.269 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.788 5.766 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.577 5.434 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.666 7.210 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.944 7.319 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.551 5.455 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.822 4.232 2.961 1.00 0.00 H new ATOM 392 N THR A 28 9.009 7.068 6.364 1.00 0.00 N ATOM 393 CA THR A 28 7.784 7.207 5.587 1.00 0.00 C ATOM 394 C THR A 28 7.078 8.520 5.906 1.00 0.00 C ATOM 395 O THR A 28 6.628 9.229 5.005 1.00 0.00 O ATOM 396 CB THR A 28 6.815 6.040 5.852 1.00 0.00 C ATOM 397 OG1 THR A 28 7.550 4.862 6.199 1.00 0.00 O ATOM 398 CG2 THR A 28 5.954 5.763 4.628 1.00 0.00 C ATOM 0 H THR A 28 8.897 6.559 7.241 1.00 0.00 H new ATOM 0 HA THR A 28 8.073 7.198 4.536 1.00 0.00 H new ATOM 0 HB THR A 28 6.164 6.319 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.998 4.998 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.278 4.935 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.373 6.652 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.594 5.503 3.784 1.00 0.00 H new ATOM 406 N ASP A 29 6.984 8.839 7.192 1.00 0.00 N ATOM 407 CA ASP A 29 6.333 10.069 7.629 1.00 0.00 C ATOM 408 C ASP A 29 7.244 11.273 7.409 1.00 0.00 C ATOM 409 O ASP A 29 6.800 12.419 7.468 1.00 0.00 O ATOM 410 CB ASP A 29 5.946 9.969 9.105 1.00 0.00 C ATOM 411 CG ASP A 29 4.813 10.908 9.470 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.927 12.117 9.180 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.812 10.434 10.048 1.00 0.00 O ATOM 0 H ASP A 29 7.350 8.263 7.950 1.00 0.00 H new ATOM 0 HA ASP A 29 5.430 10.206 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.652 8.944 9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.815 10.196 9.722 1.00 0.00 H new ATOM 418 N ASN A 30 8.521 11.004 7.157 1.00 0.00 N ATOM 419 CA ASN A 30 9.495 12.066 6.930 1.00 0.00 C ATOM 420 C ASN A 30 9.651 12.352 5.440 1.00 0.00 C ATOM 421 O ASN A 30 9.861 13.497 5.035 1.00 0.00 O ATOM 422 CB ASN A 30 10.848 11.681 7.532 1.00 0.00 C ATOM 423 CG ASN A 30 11.761 11.014 6.521 1.00 0.00 C ATOM 424 OD1 ASN A 30 11.339 10.130 5.776 1.00 0.00 O ATOM 425 ND2 ASN A 30 13.021 11.434 6.493 1.00 0.00 N ATOM 0 H ASN A 30 8.905 10.061 7.105 1.00 0.00 H new ATOM 0 HA ASN A 30 9.131 12.970 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.335 12.574 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.690 11.008 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.682 11.021 5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.328 12.170 7.129 1.00 0.00 H new ATOM 432 N LEU A 31 9.547 11.306 4.628 1.00 0.00 N ATOM 433 CA LEU A 31 9.675 11.444 3.182 1.00 0.00 C ATOM 434 C LEU A 31 8.346 11.850 2.554 1.00 0.00 C ATOM 435 O LEU A 31 8.314 12.450 1.477 1.00 0.00 O ATOM 436 CB LEU A 31 10.163 10.132 2.566 1.00 0.00 C ATOM 437 CG LEU A 31 9.075 9.156 2.115 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.476 9.600 0.790 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.637 7.746 2.003 1.00 0.00 C ATOM 0 H LEU A 31 9.374 10.353 4.947 1.00 0.00 H new ATOM 0 HA LEU A 31 10.406 12.227 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.790 10.369 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.798 9.626 3.294 1.00 0.00 H new ATOM 0 HG LEU A 31 8.284 9.152 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.704 8.894 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.037 10.591 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.257 9.634 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.849 7.065 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.447 7.734 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.017 7.428 2.974 1.00 0.00 H new ATOM 451 N LEU A 32 7.252 11.522 3.232 1.00 0.00 N ATOM 452 CA LEU A 32 5.920 11.855 2.742 1.00 0.00 C ATOM 453 C LEU A 32 5.554 13.295 3.091 1.00 0.00 C ATOM 454 O LEU A 32 4.817 13.954 2.359 1.00 0.00 O ATOM 455 CB LEU A 32 4.883 10.897 3.331 1.00 0.00 C ATOM 456 CG LEU A 32 4.746 9.543 2.633 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.614 8.737 3.249 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.517 9.735 1.140 1.00 0.00 C ATOM 0 H LEU A 32 7.261 11.026 4.123 1.00 0.00 H new ATOM 0 HA LEU A 32 5.925 11.754 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.134 10.720 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.911 11.391 3.316 1.00 0.00 H new ATOM 0 HG LEU A 32 5.674 8.989 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.532 7.777 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.820 8.570 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.678 9.285 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.422 8.762 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.604 10.309 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.362 10.272 0.708 1.00 0.00 H new ATOM 470 N LYS A 33 6.078 13.777 4.213 1.00 0.00 N ATOM 471 CA LYS A 33 5.811 15.138 4.658 1.00 0.00 C ATOM 472 C LYS A 33 6.391 16.155 3.680 1.00 0.00 C ATOM 473 O LYS A 33 5.831 17.234 3.485 1.00 0.00 O ATOM 474 CB LYS A 33 6.398 15.365 6.054 1.00 0.00 C ATOM 475 CG LYS A 33 7.882 15.055 6.146 1.00 0.00 C ATOM 476 CD LYS A 33 8.483 15.588 7.436 1.00 0.00 C ATOM 477 CE LYS A 33 7.544 15.384 8.615 1.00 0.00 C ATOM 478 NZ LYS A 33 6.452 16.395 8.635 1.00 0.00 N ATOM 0 H LYS A 33 6.690 13.244 4.831 1.00 0.00 H new ATOM 0 HA LYS A 33 4.730 15.274 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.233 16.403 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.860 14.744 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.034 13.977 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.400 15.494 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.430 15.085 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.703 16.650 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.112 14.384 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.110 15.442 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.289 16.711 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.723 17.210 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.580 15.972 8.258 1.00 0.00 H new ATOM 492 N SER A 34 7.517 15.803 3.067 1.00 0.00 N ATOM 493 CA SER A 34 8.174 16.686 2.110 1.00 0.00 C ATOM 494 C SER A 34 7.433 16.689 0.776 1.00 0.00 C ATOM 495 O SER A 34 7.529 17.643 0.003 1.00 0.00 O ATOM 496 CB SER A 34 9.625 16.253 1.898 1.00 0.00 C ATOM 497 OG SER A 34 10.440 17.356 1.539 1.00 0.00 O ATOM 0 H SER A 34 7.993 14.913 3.216 1.00 0.00 H new ATOM 0 HA SER A 34 8.159 17.697 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.008 15.796 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.671 15.494 1.117 1.00 0.00 H new ATOM 0 HG SER A 34 11.363 17.053 1.411 1.00 0.00 H new ATOM 503 N HIS A 35 6.694 15.616 0.514 1.00 0.00 N ATOM 504 CA HIS A 35 5.936 15.495 -0.726 1.00 0.00 C ATOM 505 C HIS A 35 4.623 16.269 -0.638 1.00 0.00 C ATOM 506 O HIS A 35 4.301 16.847 0.399 1.00 0.00 O ATOM 507 CB HIS A 35 5.654 14.024 -1.034 1.00 0.00 C ATOM 508 CG HIS A 35 6.754 13.350 -1.794 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.205 13.796 -3.018 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.496 12.258 -1.496 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.176 13.005 -3.441 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.372 12.064 -2.535 1.00 0.00 N ATOM 0 H HIS A 35 6.604 14.818 1.143 1.00 0.00 H new ATOM 0 HA HIS A 35 6.535 15.919 -1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.490 13.490 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.730 13.952 -1.608 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.846 14.609 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.414 11.652 -0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.717 13.110 -4.370 1.00 0.00 H new ATOM 521 N ALA A 36 3.871 16.276 -1.734 1.00 0.00 N ATOM 522 CA ALA A 36 2.595 16.978 -1.780 1.00 0.00 C ATOM 523 C ALA A 36 1.504 16.180 -1.074 1.00 0.00 C ATOM 524 O ALA A 36 1.756 15.096 -0.548 1.00 0.00 O ATOM 525 CB ALA A 36 2.198 17.257 -3.222 1.00 0.00 C ATOM 0 H ALA A 36 4.124 15.803 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 36 2.711 17.927 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.243 17.782 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.961 17.874 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.105 16.315 -3.763 1.00 0.00 H new ATOM 531 N SER A 37 0.291 16.724 -1.064 1.00 0.00 N ATOM 532 CA SER A 37 -0.838 16.065 -0.418 1.00 0.00 C ATOM 533 C SER A 37 -1.456 15.018 -1.340 1.00 0.00 C ATOM 534 O SER A 37 -2.580 14.569 -1.122 1.00 0.00 O ATOM 535 CB SER A 37 -1.894 17.094 -0.015 1.00 0.00 C ATOM 536 OG SER A 37 -1.357 18.052 0.882 1.00 0.00 O ATOM 0 H SER A 37 0.065 17.620 -1.496 1.00 0.00 H new ATOM 0 HA SER A 37 -0.471 15.563 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.274 17.597 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.740 16.588 0.451 1.00 0.00 H new ATOM 0 HG SER A 37 -2.052 18.700 1.123 1.00 0.00 H new ATOM 542 N GLY A 38 -0.712 14.635 -2.373 1.00 0.00 N ATOM 543 CA GLY A 38 -1.203 13.645 -3.314 1.00 0.00 C ATOM 544 C GLY A 38 -0.218 12.513 -3.532 1.00 0.00 C ATOM 545 O GLY A 38 -0.438 11.641 -4.374 1.00 0.00 O ATOM 0 H GLY A 38 0.222 14.992 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.145 13.237 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.413 14.128 -4.268 1.00 0.00 H new ATOM 549 N THR A 39 0.874 12.526 -2.774 1.00 0.00 N ATOM 550 CA THR A 39 1.898 11.496 -2.890 1.00 0.00 C ATOM 551 C THR A 39 1.520 10.254 -2.091 1.00 0.00 C ATOM 552 O THR A 39 1.252 10.332 -0.893 1.00 0.00 O ATOM 553 CB THR A 39 3.267 12.008 -2.405 1.00 0.00 C ATOM 554 OG1 THR A 39 3.839 12.881 -3.385 1.00 0.00 O ATOM 555 CG2 THR A 39 4.215 10.848 -2.136 1.00 0.00 C ATOM 0 H THR A 39 1.072 13.240 -2.073 1.00 0.00 H new ATOM 0 HA THR A 39 1.969 11.238 -3.947 1.00 0.00 H new ATOM 0 HB THR A 39 3.116 12.556 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.762 12.607 -3.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.175 11.235 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.790 10.202 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.359 10.276 -3.053 1.00 0.00 H new ATOM 563 N TYR A 40 1.503 9.108 -2.763 1.00 0.00 N ATOM 564 CA TYR A 40 1.156 7.848 -2.116 1.00 0.00 C ATOM 565 C TYR A 40 2.295 6.840 -2.240 1.00 0.00 C ATOM 566 O TYR A 40 3.223 7.029 -3.027 1.00 0.00 O ATOM 567 CB TYR A 40 -0.121 7.271 -2.727 1.00 0.00 C ATOM 568 CG TYR A 40 0.069 6.731 -4.128 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.201 7.590 -5.211 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.117 5.363 -4.366 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.374 7.102 -6.493 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.291 4.867 -5.644 1.00 0.00 C ATOM 573 CZ TYR A 40 0.418 5.740 -6.703 1.00 0.00 C ATOM 574 OH TYR A 40 0.592 5.250 -7.977 1.00 0.00 O ATOM 0 H TYR A 40 1.725 9.026 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 40 0.986 8.047 -1.058 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.492 6.472 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.887 8.046 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.168 8.657 -5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.017 4.676 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.474 7.783 -7.325 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.327 3.801 -5.812 1.00 0.00 H new ATOM 0 HH TYR A 40 1.246 4.521 -7.960 1.00 0.00 H new ATOM 584 N LEU A 41 2.216 5.769 -1.458 1.00 0.00 N ATOM 585 CA LEU A 41 3.239 4.728 -1.481 1.00 0.00 C ATOM 586 C LEU A 41 2.728 3.449 -0.826 1.00 0.00 C ATOM 587 O LEU A 41 1.804 3.483 -0.013 1.00 0.00 O ATOM 588 CB LEU A 41 4.502 5.213 -0.766 1.00 0.00 C ATOM 589 CG LEU A 41 4.522 5.036 0.752 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.076 3.669 1.124 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.340 6.140 1.407 1.00 0.00 C ATOM 0 H LEU A 41 1.455 5.598 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 41 3.479 4.510 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.358 4.685 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.639 6.271 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 41 3.498 5.102 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.082 3.562 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.450 2.891 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.093 3.573 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.343 5.998 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.363 6.105 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.900 7.109 1.170 1.00 0.00 H new ATOM 603 N ILE A 42 3.338 2.324 -1.182 1.00 0.00 N ATOM 604 CA ILE A 42 2.946 1.034 -0.627 1.00 0.00 C ATOM 605 C ILE A 42 4.139 0.324 0.005 1.00 0.00 C ATOM 606 O ILE A 42 5.129 0.033 -0.667 1.00 0.00 O ATOM 607 CB ILE A 42 2.331 0.121 -1.703 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.891 0.546 -2.000 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.377 -1.332 -1.254 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.779 1.566 -3.112 1.00 0.00 C ATOM 0 H ILE A 42 4.106 2.279 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 42 2.196 1.234 0.139 1.00 0.00 H new ATOM 0 HB ILE A 42 2.916 0.217 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.308 -0.336 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.448 0.959 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.939 -1.965 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.412 -1.628 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.813 -1.445 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.269 1.821 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.334 2.464 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.192 1.149 -4.031 1.00 0.00 H new ATOM 622 N ARG A 43 4.037 0.047 1.301 1.00 0.00 N ATOM 623 CA ARG A 43 5.106 -0.631 2.024 1.00 0.00 C ATOM 624 C ARG A 43 4.840 -2.131 2.109 1.00 0.00 C ATOM 625 O ARG A 43 3.758 -2.600 1.758 1.00 0.00 O ATOM 626 CB ARG A 43 5.249 -0.047 3.430 1.00 0.00 C ATOM 627 CG ARG A 43 4.893 1.428 3.516 1.00 0.00 C ATOM 628 CD ARG A 43 4.594 1.846 4.947 1.00 0.00 C ATOM 629 NE ARG A 43 5.572 1.309 5.890 1.00 0.00 N ATOM 630 CZ ARG A 43 5.397 1.303 7.207 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.288 1.803 7.733 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.332 0.797 8.000 1.00 0.00 N ATOM 0 H ARG A 43 3.225 0.282 1.872 1.00 0.00 H new ATOM 0 HA ARG A 43 6.036 -0.476 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.610 -0.607 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.276 -0.185 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.717 2.026 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.026 1.631 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.587 2.934 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.597 1.503 5.224 1.00 0.00 H new ATOM 0 HE ARG A 43 6.437 0.917 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.567 2.193 7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.156 1.797 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.187 0.412 7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.196 0.793 9.011 1.00 0.00 H new ATOM 646 N GLU A 44 5.835 -2.878 2.577 1.00 0.00 N ATOM 647 CA GLU A 44 5.707 -4.324 2.707 1.00 0.00 C ATOM 648 C GLU A 44 6.363 -4.816 3.994 1.00 0.00 C ATOM 649 O GLU A 44 7.583 -4.757 4.143 1.00 0.00 O ATOM 650 CB GLU A 44 6.339 -5.024 1.501 1.00 0.00 C ATOM 651 CG GLU A 44 6.214 -6.539 1.542 1.00 0.00 C ATOM 652 CD GLU A 44 7.207 -7.231 0.630 1.00 0.00 C ATOM 653 OE1 GLU A 44 8.402 -7.290 0.992 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.793 -7.713 -0.444 1.00 0.00 O ATOM 0 H GLU A 44 6.738 -2.506 2.872 1.00 0.00 H new ATOM 0 HA GLU A 44 4.645 -4.567 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.870 -4.654 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.394 -4.756 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.364 -6.885 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.202 -6.824 1.254 1.00 0.00 H new ATOM 749 N ARG A 51 0.799 -7.809 6.021 1.00 0.00 N ATOM 750 CA ARG A 51 1.760 -8.136 4.974 1.00 0.00 C ATOM 751 C ARG A 51 2.134 -6.893 4.173 1.00 0.00 C ATOM 752 O ARG A 51 3.314 -6.616 3.951 1.00 0.00 O ATOM 753 CB ARG A 51 1.186 -9.204 4.041 1.00 0.00 C ATOM 754 CG ARG A 51 2.158 -9.659 2.965 1.00 0.00 C ATOM 755 CD ARG A 51 1.847 -11.070 2.494 1.00 0.00 C ATOM 756 NE ARG A 51 2.923 -11.625 1.676 1.00 0.00 N ATOM 757 CZ ARG A 51 2.765 -12.657 0.856 1.00 0.00 C ATOM 758 NH1 ARG A 51 1.582 -13.244 0.744 1.00 0.00 N ATOM 759 NH2 ARG A 51 3.793 -13.104 0.145 1.00 0.00 N ATOM 0 HA ARG A 51 2.660 -8.525 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.883 -10.067 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.287 -8.813 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.113 -8.974 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.176 -9.620 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.681 -11.712 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.921 -11.064 1.919 1.00 0.00 H new ATOM 0 HE ARG A 51 3.846 -11.196 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.790 -12.903 1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.464 -14.037 0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.705 -12.655 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.671 -13.897 -0.485 1.00 0.00 H new ATOM 773 N PHE A 52 1.124 -6.147 3.740 1.00 0.00 N ATOM 774 CA PHE A 52 1.346 -4.934 2.963 1.00 0.00 C ATOM 775 C PHE A 52 0.702 -3.728 3.640 1.00 0.00 C ATOM 776 O PHE A 52 -0.179 -3.874 4.486 1.00 0.00 O ATOM 777 CB PHE A 52 0.785 -5.099 1.548 1.00 0.00 C ATOM 778 CG PHE A 52 1.621 -5.987 0.672 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.831 -5.542 0.165 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.196 -7.266 0.354 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.603 -6.357 -0.641 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.963 -8.087 -0.452 1.00 0.00 C ATOM 783 CZ PHE A 52 3.167 -7.631 -0.952 1.00 0.00 C ATOM 0 H PHE A 52 0.142 -6.362 3.914 1.00 0.00 H new ATOM 0 HA PHE A 52 2.421 -4.763 2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.223 -5.509 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.701 -4.117 1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.175 -4.546 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.254 -7.627 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.546 -5.999 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.621 -9.083 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.767 -8.269 -1.585 1.00 0.00 H new ATOM 793 N ALA A 53 1.149 -2.534 3.260 1.00 0.00 N ATOM 794 CA ALA A 53 0.617 -1.303 3.829 1.00 0.00 C ATOM 795 C ALA A 53 0.629 -0.175 2.802 1.00 0.00 C ATOM 796 O ALA A 53 1.486 -0.134 1.921 1.00 0.00 O ATOM 797 CB ALA A 53 1.412 -0.904 5.063 1.00 0.00 C ATOM 0 H ALA A 53 1.878 -2.395 2.561 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.418 -1.484 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.003 0.018 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.349 -1.696 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.455 -0.747 4.789 1.00 0.00 H new ATOM 803 N ILE A 54 -0.329 0.738 2.924 1.00 0.00 N ATOM 804 CA ILE A 54 -0.428 1.866 2.006 1.00 0.00 C ATOM 805 C ILE A 54 -0.379 3.192 2.759 1.00 0.00 C ATOM 806 O ILE A 54 -1.221 3.464 3.614 1.00 0.00 O ATOM 807 CB ILE A 54 -1.725 1.807 1.178 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.907 0.413 0.574 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.706 2.866 0.087 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.288 0.176 0.007 1.00 0.00 C ATOM 0 H ILE A 54 -1.047 0.719 3.649 1.00 0.00 H new ATOM 0 HA ILE A 54 0.426 1.800 1.332 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.569 2.009 1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.169 0.269 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.704 -0.335 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.630 2.811 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.619 3.854 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.856 2.693 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.345 -0.832 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.030 0.288 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.487 0.901 -0.782 1.00 0.00 H new ATOM 822 N SER A 55 0.612 4.016 2.432 1.00 0.00 N ATOM 823 CA SER A 55 0.773 5.313 3.077 1.00 0.00 C ATOM 824 C SER A 55 0.645 6.444 2.063 1.00 0.00 C ATOM 825 O SER A 55 1.334 6.460 1.042 1.00 0.00 O ATOM 826 CB SER A 55 2.131 5.393 3.778 1.00 0.00 C ATOM 827 OG SER A 55 2.134 6.403 4.771 1.00 0.00 O ATOM 0 H SER A 55 1.316 3.808 1.724 1.00 0.00 H new ATOM 0 HA SER A 55 -0.018 5.422 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.366 4.431 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.911 5.598 3.044 1.00 0.00 H new ATOM 0 HG SER A 55 1.212 6.604 5.036 1.00 0.00 H new ATOM 833 N ILE A 56 -0.244 7.391 2.351 1.00 0.00 N ATOM 834 CA ILE A 56 -0.462 8.527 1.464 1.00 0.00 C ATOM 835 C ILE A 56 -0.523 9.832 2.249 1.00 0.00 C ATOM 836 O ILE A 56 -0.983 9.862 3.391 1.00 0.00 O ATOM 837 CB ILE A 56 -1.762 8.367 0.653 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.021 6.889 0.353 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.684 9.170 -0.636 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.783 6.174 1.446 1.00 0.00 C ATOM 0 H ILE A 56 -0.823 7.393 3.190 1.00 0.00 H new ATOM 0 HA ILE A 56 0.383 8.558 0.777 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.593 8.749 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.579 6.809 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.067 6.386 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.610 9.047 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.540 10.224 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.846 8.815 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.930 5.131 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.217 6.223 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.752 6.652 1.586 1.00 0.00 H new ATOM 852 N LYS A 57 -0.060 10.912 1.629 1.00 0.00 N ATOM 853 CA LYS A 57 -0.063 12.223 2.267 1.00 0.00 C ATOM 854 C LYS A 57 -1.385 12.944 2.018 1.00 0.00 C ATOM 855 O LYS A 57 -1.756 13.203 0.874 1.00 0.00 O ATOM 856 CB LYS A 57 1.099 13.071 1.746 1.00 0.00 C ATOM 857 CG LYS A 57 1.265 14.391 2.477 1.00 0.00 C ATOM 858 CD LYS A 57 1.713 14.181 3.914 1.00 0.00 C ATOM 859 CE LYS A 57 1.719 15.486 4.693 1.00 0.00 C ATOM 860 NZ LYS A 57 2.587 16.512 4.052 1.00 0.00 N ATOM 0 H LYS A 57 0.323 10.905 0.684 1.00 0.00 H new ATOM 0 HA LYS A 57 0.056 12.078 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.023 12.499 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.946 13.270 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.995 15.008 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.321 14.936 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.049 13.468 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.712 13.745 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.701 15.868 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.066 15.300 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.145 16.999 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.229 16.051 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.994 17.204 3.550 1.00 0.00 H new ATOM 874 N PHE A 58 -2.088 13.270 3.098 1.00 0.00 N ATOM 875 CA PHE A 58 -3.368 13.962 2.998 1.00 0.00 C ATOM 876 C PHE A 58 -3.686 14.707 4.290 1.00 0.00 C ATOM 877 O PHE A 58 -3.424 14.212 5.385 1.00 0.00 O ATOM 878 CB PHE A 58 -4.486 12.967 2.679 1.00 0.00 C ATOM 879 CG PHE A 58 -5.849 13.596 2.626 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.225 14.376 1.543 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.755 13.407 3.657 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.479 14.955 1.490 1.00 0.00 C ATOM 883 CE2 PHE A 58 -8.011 13.984 3.609 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.372 14.760 2.526 1.00 0.00 C ATOM 0 H PHE A 58 -1.793 13.066 4.053 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.298 14.689 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.276 12.491 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.487 12.179 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.530 14.533 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.477 12.802 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.760 15.559 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.709 13.828 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.351 15.214 2.489 1.00 0.00 H new ATOM 894 N ASN A 59 -4.254 15.901 4.153 1.00 0.00 N ATOM 895 CA ASN A 59 -4.608 16.716 5.310 1.00 0.00 C ATOM 896 C ASN A 59 -3.362 17.122 6.091 1.00 0.00 C ATOM 897 O ASN A 59 -3.382 17.189 7.320 1.00 0.00 O ATOM 898 CB ASN A 59 -5.570 15.953 6.223 1.00 0.00 C ATOM 899 CG ASN A 59 -6.504 16.876 6.981 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.369 18.098 6.920 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.457 16.293 7.698 1.00 0.00 N ATOM 0 H ASN A 59 -4.479 16.325 3.253 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.100 17.620 4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.158 15.257 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.997 15.358 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.116 16.862 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.530 15.276 7.718 1.00 0.00 H new ATOM 908 N ASP A 60 -2.280 17.392 5.369 1.00 0.00 N ATOM 909 CA ASP A 60 -1.025 17.793 5.994 1.00 0.00 C ATOM 910 C ASP A 60 -0.607 16.793 7.067 1.00 0.00 C ATOM 911 O ASP A 60 0.070 17.150 8.030 1.00 0.00 O ATOM 912 CB ASP A 60 -1.158 19.190 6.604 1.00 0.00 C ATOM 913 CG ASP A 60 0.156 19.946 6.611 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.110 19.471 7.262 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.230 21.013 5.967 1.00 0.00 O ATOM 0 H ASP A 60 -2.247 17.340 4.351 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.254 17.813 5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.899 19.760 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.530 19.104 7.625 1.00 0.00 H new ATOM 920 N GLU A 61 -1.018 15.541 6.894 1.00 0.00 N ATOM 921 CA GLU A 61 -0.688 14.490 7.850 1.00 0.00 C ATOM 922 C GLU A 61 -0.524 13.146 7.145 1.00 0.00 C ATOM 923 O GLU A 61 -1.353 12.760 6.321 1.00 0.00 O ATOM 924 CB GLU A 61 -1.774 14.387 8.923 1.00 0.00 C ATOM 925 CG GLU A 61 -1.525 15.278 10.129 1.00 0.00 C ATOM 926 CD GLU A 61 -0.647 14.615 11.172 1.00 0.00 C ATOM 927 OE1 GLU A 61 0.223 13.807 10.786 1.00 0.00 O ATOM 928 OE2 GLU A 61 -0.831 14.904 12.372 1.00 0.00 O ATOM 0 H GLU A 61 -1.580 15.230 6.102 1.00 0.00 H new ATOM 0 HA GLU A 61 0.258 14.749 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.735 14.648 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.847 13.352 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.056 16.205 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.480 15.547 10.581 1.00 0.00 H new ATOM 935 N VAL A 62 0.552 12.440 7.476 1.00 0.00 N ATOM 936 CA VAL A 62 0.826 11.139 6.876 1.00 0.00 C ATOM 937 C VAL A 62 -0.109 10.070 7.431 1.00 0.00 C ATOM 938 O VAL A 62 -0.102 9.782 8.629 1.00 0.00 O ATOM 939 CB VAL A 62 2.284 10.705 7.120 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.514 9.293 6.603 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.246 11.685 6.465 1.00 0.00 C ATOM 0 H VAL A 62 1.248 12.746 8.156 1.00 0.00 H new ATOM 0 HA VAL A 62 0.659 11.243 5.804 1.00 0.00 H new ATOM 0 HB VAL A 62 2.472 10.708 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.549 9.003 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.848 8.603 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.310 9.260 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.272 11.364 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.060 11.715 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.096 12.679 6.887 1.00 0.00 H new ATOM 951 N LYS A 63 -0.915 9.484 6.553 1.00 0.00 N ATOM 952 CA LYS A 63 -1.857 8.445 6.951 1.00 0.00 C ATOM 953 C LYS A 63 -1.335 7.062 6.573 1.00 0.00 C ATOM 954 O LYS A 63 -0.688 6.894 5.539 1.00 0.00 O ATOM 955 CB LYS A 63 -3.219 8.683 6.298 1.00 0.00 C ATOM 956 CG LYS A 63 -3.683 10.128 6.367 1.00 0.00 C ATOM 957 CD LYS A 63 -4.320 10.446 7.709 1.00 0.00 C ATOM 958 CE LYS A 63 -5.270 11.630 7.609 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.574 12.921 7.866 1.00 0.00 N ATOM 0 H LYS A 63 -0.935 9.711 5.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.969 8.489 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.170 8.375 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.961 8.048 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.835 10.792 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.400 10.319 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.862 9.573 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.541 10.664 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.721 11.651 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.082 11.506 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.264 13.629 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.849 12.784 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.123 13.253 6.990 1.00 0.00 H new ATOM 973 N HIS A 64 -1.620 6.076 7.417 1.00 0.00 N ATOM 974 CA HIS A 64 -1.181 4.707 7.169 1.00 0.00 C ATOM 975 C HIS A 64 -2.375 3.769 7.028 1.00 0.00 C ATOM 976 O HIS A 64 -3.293 3.790 7.850 1.00 0.00 O ATOM 977 CB HIS A 64 -0.272 4.228 8.302 1.00 0.00 C ATOM 978 CG HIS A 64 1.064 4.903 8.325 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.090 4.571 7.465 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.540 5.898 9.109 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.139 5.331 7.720 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.831 6.146 8.713 1.00 0.00 N ATOM 0 H HIS A 64 -2.153 6.199 8.278 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.621 4.695 6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.773 4.399 9.255 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.125 3.152 8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.004 6.403 9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.087 5.293 7.205 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.452 6.846 9.120 1.00 0.00 H new ATOM 991 N ILE A 65 -2.359 2.950 5.983 1.00 0.00 N ATOM 992 CA ILE A 65 -3.441 2.006 5.735 1.00 0.00 C ATOM 993 C ILE A 65 -2.923 0.572 5.701 1.00 0.00 C ATOM 994 O ILE A 65 -2.410 0.109 4.683 1.00 0.00 O ATOM 995 CB ILE A 65 -4.162 2.309 4.408 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.776 3.711 4.446 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.232 1.264 4.135 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.334 4.162 3.113 1.00 0.00 C ATOM 0 H ILE A 65 -1.608 2.921 5.294 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.148 2.116 6.557 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.433 2.273 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.573 3.730 5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.018 4.422 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.732 1.493 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.770 0.279 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.962 1.271 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.753 5.163 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.536 4.175 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.115 3.472 2.794 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.063 -0.128 6.823 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.611 -1.511 6.922 1.00 0.00 C ATOM 1012 C LYS A 66 -3.399 -2.410 5.975 1.00 0.00 C ATOM 1013 O LYS A 66 -4.576 -2.168 5.708 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.758 -2.014 8.361 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.163 -1.857 8.919 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.023 -3.072 8.614 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.146 -3.228 9.628 1.00 0.00 C ATOM 1018 NZ LYS A 66 -7.176 -2.162 9.484 1.00 0.00 N ATOM 0 H LYS A 66 -3.486 0.240 7.675 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.560 -1.546 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.476 -3.066 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.060 -1.473 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.113 -1.707 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.627 -0.966 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.445 -2.979 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.403 -3.968 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.614 -4.204 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.732 -3.199 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.924 -2.304 10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.735 -1.231 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.590 -2.206 8.531 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.741 -3.449 5.469 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.382 -4.385 4.553 1.00 0.00 C ATOM 1034 C VAL A 67 -3.297 -5.814 5.079 1.00 0.00 C ATOM 1035 O VAL A 67 -2.319 -6.192 5.725 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.742 -4.327 3.153 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.590 -5.088 2.146 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.548 -2.883 2.717 1.00 0.00 C ATOM 0 H VAL A 67 -1.766 -3.663 5.678 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.429 -4.089 4.479 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.763 -4.803 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.122 -5.036 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.672 -6.130 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.584 -4.644 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.095 -2.860 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.514 -2.379 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.896 -2.373 3.426 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.327 -6.605 4.799 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.369 -7.992 5.242 1.00 0.00 C ATOM 1050 C VAL A 68 -4.509 -8.944 4.060 1.00 0.00 C ATOM 1051 O VAL A 68 -5.004 -8.563 3.000 1.00 0.00 O ATOM 1052 CB VAL A 68 -5.534 -8.234 6.222 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -5.289 -7.502 7.533 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.852 -7.803 5.598 1.00 0.00 C ATOM 0 H VAL A 68 -5.145 -6.308 4.266 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.426 -8.188 5.753 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.592 -9.301 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.122 -7.684 8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.366 -7.864 7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.204 -6.432 7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.664 -7.981 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.809 -6.742 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.029 -8.377 4.689 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.070 -10.184 4.248 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.146 -11.190 3.196 1.00 0.00 C ATOM 1066 C GLU A 69 -4.771 -12.479 3.720 1.00 0.00 C ATOM 1067 O GLU A 69 -4.118 -13.267 4.405 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.752 -11.478 2.633 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.758 -11.879 1.168 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.623 -12.822 0.816 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -1.043 -13.425 1.743 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -1.317 -12.956 -0.387 1.00 0.00 O ATOM 0 H GLU A 69 -3.658 -10.516 5.120 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.778 -10.798 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.130 -10.592 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.291 -12.275 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.709 -12.356 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.687 -10.984 0.550 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.042 -12.688 3.392 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.758 -13.881 3.827 1.00 0.00 C ATOM 1081 C LYS A 70 -7.525 -14.510 2.668 1.00 0.00 C ATOM 1082 O LYS A 70 -7.961 -13.813 1.751 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.724 -13.536 4.963 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.162 -14.740 5.777 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.127 -14.346 6.883 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.405 -13.660 8.033 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.342 -12.883 8.891 1.00 0.00 N ATOM 0 H LYS A 70 -6.597 -12.046 2.826 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.024 -14.602 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.248 -12.814 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.606 -13.051 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.637 -15.470 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.287 -15.224 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.890 -13.679 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.641 -15.233 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.893 -14.408 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.639 -12.994 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.812 -12.431 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.812 -12.152 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.058 -13.523 9.291 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.686 -15.827 2.716 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.403 -16.548 1.671 1.00 0.00 C ATOM 1103 C ASP A 71 -7.824 -16.230 0.296 1.00 0.00 C ATOM 1104 O ASP A 71 -8.553 -16.148 -0.692 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.891 -16.195 1.705 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.575 -16.696 2.962 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.602 -17.927 3.172 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.085 -15.858 3.734 1.00 0.00 O ATOM 0 H ASP A 71 -7.330 -16.418 3.467 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.287 -17.616 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.007 -15.113 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.383 -16.623 0.832 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.508 -16.050 0.241 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.832 -15.738 -1.013 1.00 0.00 C ATOM 1115 C ASN A 72 -6.358 -14.434 -1.606 1.00 0.00 C ATOM 1116 O ASN A 72 -6.458 -14.291 -2.825 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.017 -16.879 -2.014 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.317 -18.152 -1.577 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.961 -19.116 -1.165 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -3.992 -18.158 -1.665 1.00 0.00 N ATOM 0 H ASN A 72 -5.889 -16.115 1.049 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.769 -15.617 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.081 -17.078 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.632 -16.572 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.466 -18.986 -1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.500 -17.335 -2.013 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.692 -13.488 -0.737 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.209 -12.196 -1.175 1.00 0.00 C ATOM 1129 C TRP A 73 -6.530 -11.055 -0.423 1.00 0.00 C ATOM 1130 O TRP A 73 -5.751 -11.287 0.502 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.722 -12.132 -0.967 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.454 -13.294 -1.565 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.372 -14.092 -0.942 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.328 -13.791 -2.901 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.824 -15.055 -1.813 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.199 -14.892 -3.021 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.566 -13.413 -4.009 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.327 -15.615 -4.204 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.693 -14.131 -5.183 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -9.568 -15.221 -5.273 1.00 0.00 C ATOM 0 H TRP A 73 -6.614 -13.590 0.275 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.991 -12.086 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.933 -12.090 0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.103 -11.209 -1.404 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.695 -13.982 0.083 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.513 -15.775 -1.595 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.889 -12.574 -3.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.001 -16.456 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.108 -13.847 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.645 -15.762 -6.205 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.831 -9.826 -0.826 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.251 -8.651 -0.189 1.00 0.00 C ATOM 1153 C ILE A 74 -7.297 -7.559 0.009 1.00 0.00 C ATOM 1154 O ILE A 74 -8.015 -7.196 -0.922 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.083 -8.080 -1.015 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.774 -8.780 -0.640 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.967 -6.578 -0.804 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.775 -8.843 -1.773 1.00 0.00 C ATOM 0 H ILE A 74 -7.473 -9.618 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.876 -8.974 0.782 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.282 -8.263 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.322 -8.259 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.996 -9.793 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.137 -6.191 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.892 -6.094 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.789 -6.372 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.873 -9.352 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.208 -9.391 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.523 -7.832 -2.092 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.378 -7.040 1.230 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.336 -5.987 1.552 1.00 0.00 C ATOM 1172 C HIS A 75 -7.824 -5.118 2.695 1.00 0.00 C ATOM 1173 O HIS A 75 -6.716 -5.318 3.192 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.689 -6.596 1.923 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.672 -7.341 3.223 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.549 -8.712 3.302 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.765 -6.898 4.498 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.566 -9.081 4.570 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.697 -7.998 5.316 1.00 0.00 N ATOM 0 H HIS A 75 -6.792 -7.331 2.013 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.459 -5.359 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.433 -5.802 1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.004 -7.273 1.129 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.459 -9.343 2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.873 -5.871 4.813 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.486 -10.094 4.935 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.638 -4.151 3.107 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.268 -3.252 4.193 1.00 0.00 C ATOM 1190 C ILE A 76 -9.477 -2.897 5.051 1.00 0.00 C ATOM 1191 O ILE A 76 -10.589 -2.745 4.545 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.635 -1.954 3.657 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.568 -1.287 2.643 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.281 -2.244 3.027 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.238 0.167 2.385 1.00 0.00 C ATOM 0 H ILE A 76 -9.558 -3.970 2.705 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.536 -3.780 4.804 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.486 -1.269 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.520 -1.835 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.594 -1.360 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.847 -1.316 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.618 -2.679 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.406 -2.944 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.939 0.576 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.314 0.728 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.223 0.246 1.995 1.00 0.00 H new ATOM 1207 N THR A 77 -9.252 -2.766 6.355 1.00 0.00 N ATOM 1208 CA THR A 77 -10.323 -2.429 7.284 1.00 0.00 C ATOM 1209 C THR A 77 -11.621 -3.134 6.907 1.00 0.00 C ATOM 1210 O THR A 77 -12.711 -2.644 7.199 1.00 0.00 O ATOM 1211 CB THR A 77 -10.572 -0.909 7.328 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.428 -0.584 8.429 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.202 -0.426 6.031 1.00 0.00 C ATOM 0 H THR A 77 -8.338 -2.888 6.791 1.00 0.00 H new ATOM 0 HA THR A 77 -10.003 -2.766 8.270 1.00 0.00 H new ATOM 0 HB THR A 77 -9.611 -0.410 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.231 -1.145 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.368 0.650 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.535 -0.648 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.155 -0.933 5.878 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.495 -4.287 6.257 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.660 -5.060 5.841 1.00 0.00 C ATOM 1223 C GLU A 78 -13.676 -4.170 5.129 1.00 0.00 C ATOM 1224 O GLU A 78 -14.874 -4.238 5.401 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.312 -5.731 7.050 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.402 -6.717 7.763 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.079 -7.386 8.944 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.042 -8.149 8.724 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -12.643 -7.147 10.090 1.00 0.00 O ATOM 0 H GLU A 78 -10.599 -4.706 6.007 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.325 -5.829 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.625 -4.962 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.213 -6.251 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.074 -7.480 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.508 -6.197 8.108 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.187 -3.336 4.218 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.051 -2.435 3.466 1.00 0.00 C ATOM 1238 C ALA A 79 -14.386 -3.011 2.094 1.00 0.00 C ATOM 1239 O ALA A 79 -15.536 -2.971 1.656 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.392 -1.071 3.321 1.00 0.00 C ATOM 0 H ALA A 79 -12.197 -3.265 3.983 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.983 -2.320 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.048 -0.408 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.210 -0.648 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.445 -1.179 2.793 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.374 -3.547 1.420 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.560 -4.133 0.098 1.00 0.00 C ATOM 1248 C LYS A 80 -12.513 -5.208 -0.173 1.00 0.00 C ATOM 1249 O LYS A 80 -11.339 -5.045 0.162 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.484 -3.048 -0.978 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.399 -3.598 -2.391 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.778 -3.785 -3.001 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.217 -2.554 -3.778 1.00 0.00 C ATOM 1254 NZ LYS A 80 -14.143 -2.058 -4.682 1.00 0.00 N ATOM 0 H LYS A 80 -12.416 -3.588 1.768 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.546 -4.597 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.362 -2.407 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.613 -2.420 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.815 -2.919 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.873 -4.552 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.769 -4.650 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.500 -3.995 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.104 -2.792 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.498 -1.765 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.916 -1.071 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.293 -2.646 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.468 -2.109 -5.668 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.943 -6.307 -0.783 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.043 -7.408 -1.102 1.00 0.00 C ATOM 1270 C LYS A 81 -11.619 -7.358 -2.566 1.00 0.00 C ATOM 1271 O LYS A 81 -12.460 -7.307 -3.465 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.716 -8.749 -0.801 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.987 -8.983 -1.598 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.835 -10.086 -0.986 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.277 -10.010 -1.462 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.406 -10.365 -2.902 1.00 0.00 N ATOM 0 H LYS A 81 -13.911 -6.459 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.153 -7.307 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.012 -9.554 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.950 -8.798 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.565 -8.060 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.731 -9.247 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.415 -11.057 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.805 -10.009 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.892 -10.684 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.660 -9.002 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.404 -10.301 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.839 -9.707 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.065 -11.336 -3.052 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.311 -7.373 -2.800 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.776 -7.329 -4.156 1.00 0.00 C ATOM 1292 C PHE A 82 -8.929 -8.565 -4.447 1.00 0.00 C ATOM 1293 O PHE A 82 -8.287 -9.116 -3.552 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.938 -6.064 -4.356 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.761 -4.821 -4.534 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.657 -4.713 -5.584 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.640 -3.762 -3.649 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.415 -3.570 -5.751 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.395 -2.615 -3.811 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.285 -2.520 -4.862 1.00 0.00 C ATOM 0 H PHE A 82 -9.602 -7.415 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.616 -7.314 -4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.280 -5.934 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.299 -6.195 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.765 -5.531 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.948 -3.833 -2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.109 -3.497 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.289 -1.795 -3.116 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.879 -1.627 -4.989 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.935 -8.995 -5.703 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.168 -10.166 -6.115 1.00 0.00 C ATOM 1312 C ASP A 83 -6.736 -10.086 -5.597 1.00 0.00 C ATOM 1313 O ASP A 83 -6.096 -11.109 -5.350 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.167 -10.293 -7.638 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.283 -11.425 -8.125 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -7.562 -12.589 -7.771 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.313 -11.145 -8.859 1.00 0.00 O ATOM 0 H ASP A 83 -9.462 -8.551 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.642 -11.049 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.187 -10.457 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.827 -9.355 -8.077 1.00 0.00 H new ATOM 1322 N SER A 84 -6.237 -8.864 -5.435 1.00 0.00 N ATOM 1323 CA SER A 84 -4.878 -8.650 -4.951 1.00 0.00 C ATOM 1324 C SER A 84 -4.643 -7.179 -4.626 1.00 0.00 C ATOM 1325 O SER A 84 -5.537 -6.346 -4.783 1.00 0.00 O ATOM 1326 CB SER A 84 -3.864 -9.122 -5.995 1.00 0.00 C ATOM 1327 OG SER A 84 -3.786 -10.537 -6.027 1.00 0.00 O ATOM 0 H SER A 84 -6.754 -8.007 -5.632 1.00 0.00 H new ATOM 0 HA SER A 84 -4.747 -9.231 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.149 -8.748 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.883 -8.706 -5.768 1.00 0.00 H new ATOM 0 HG SER A 84 -4.367 -10.912 -5.332 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.435 -6.867 -4.171 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.079 -5.495 -3.822 1.00 0.00 C ATOM 1335 C LEU A 85 -3.134 -4.590 -5.048 1.00 0.00 C ATOM 1336 O LEU A 85 -3.636 -3.467 -4.982 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.682 -5.452 -3.203 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.074 -4.061 -3.015 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -0.134 -4.046 -1.819 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -0.342 -3.624 -4.276 1.00 0.00 C ATOM 0 H LEU A 85 -2.685 -7.545 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.803 -5.131 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.722 -5.944 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.010 -6.039 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.882 -3.355 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.289 -3.048 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.686 -4.315 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.670 -4.764 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.084 -2.632 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.457 -4.332 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.042 -3.594 -5.111 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.616 -5.085 -6.167 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.606 -4.322 -7.410 1.00 0.00 C ATOM 1354 C LEU A 86 -3.983 -3.733 -7.697 1.00 0.00 C ATOM 1355 O LEU A 86 -4.116 -2.535 -7.948 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.168 -5.213 -8.574 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.279 -4.595 -9.969 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.365 -3.386 -10.093 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.948 -5.627 -11.037 1.00 0.00 C ATOM 0 H LEU A 86 -2.197 -6.012 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.896 -3.503 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.131 -5.508 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.766 -6.124 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.307 -4.264 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.458 -2.960 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.648 -2.638 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.333 -3.692 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.032 -5.170 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.930 -5.989 -10.890 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.644 -6.462 -10.964 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.006 -4.581 -7.655 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.373 -4.143 -7.909 1.00 0.00 C ATOM 1373 C GLU A 87 -6.828 -3.141 -6.851 1.00 0.00 C ATOM 1374 O GLU A 87 -7.525 -2.172 -7.156 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.321 -5.343 -7.932 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.488 -5.960 -9.310 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.564 -5.274 -10.130 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.406 -4.573 -9.533 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.562 -5.439 -11.368 1.00 0.00 O ATOM 0 H GLU A 87 -4.914 -5.575 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.396 -3.653 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.948 -6.103 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.298 -5.031 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.540 -5.907 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.736 -7.016 -9.204 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.432 -3.383 -5.607 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.799 -2.504 -4.502 1.00 0.00 C ATOM 1388 C LEU A 88 -6.230 -1.103 -4.708 1.00 0.00 C ATOM 1389 O LEU A 88 -6.841 -0.109 -4.317 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.298 -3.080 -3.177 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.484 -2.193 -1.945 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.667 -3.043 -0.697 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.300 -1.251 -1.782 1.00 0.00 C ATOM 0 H LEU A 88 -5.856 -4.181 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.886 -2.434 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.809 -4.026 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.237 -3.306 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.383 -1.593 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.798 -2.394 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.547 -3.675 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.787 -3.670 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.450 -0.628 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.386 -1.833 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.215 -0.617 -2.665 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.055 -1.033 -5.327 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.404 0.245 -5.589 1.00 0.00 C ATOM 1407 C VAL A 89 -5.030 0.945 -6.789 1.00 0.00 C ATOM 1408 O VAL A 89 -5.351 2.131 -6.731 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.896 0.066 -5.841 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.207 1.417 -5.951 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.267 -0.774 -4.738 1.00 0.00 C ATOM 0 H VAL A 89 -4.535 -1.846 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.545 0.860 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.765 -0.459 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.142 1.269 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.639 1.979 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.346 1.973 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.201 -0.890 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.409 -0.278 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.740 -1.755 -4.713 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.199 0.201 -7.879 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.787 0.750 -9.095 1.00 0.00 C ATOM 1423 C GLU A 90 -7.189 1.290 -8.826 1.00 0.00 C ATOM 1424 O GLU A 90 -7.650 2.212 -9.498 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.839 -0.316 -10.190 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.469 -0.759 -10.675 1.00 0.00 C ATOM 1427 CD GLU A 90 -3.863 0.208 -11.673 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.630 0.842 -12.427 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -2.620 0.330 -11.700 1.00 0.00 O ATOM 0 H GLU A 90 -4.937 -0.783 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.158 1.574 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.380 -1.184 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.407 0.072 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.800 -0.860 -9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.551 -1.744 -11.133 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.862 0.706 -7.841 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.212 1.125 -7.484 1.00 0.00 C ATOM 1438 C TYR A 91 -9.203 2.512 -6.851 1.00 0.00 C ATOM 1439 O TYR A 91 -9.977 3.389 -7.237 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.843 0.117 -6.522 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.323 0.339 -6.298 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.247 0.052 -7.295 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.795 0.836 -5.090 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.599 0.254 -7.095 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.145 1.039 -4.880 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.043 0.746 -5.886 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.389 0.949 -5.682 1.00 0.00 O ATOM 0 H TYR A 91 -7.495 -0.059 -7.275 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.805 1.167 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.690 -0.889 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.327 0.170 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.903 -0.336 -8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.094 1.068 -4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.304 0.028 -7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.496 1.425 -3.934 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.534 1.298 -4.778 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.321 2.705 -5.876 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.211 3.985 -5.188 1.00 0.00 C ATOM 1459 C TYR A 92 -7.489 5.011 -6.056 1.00 0.00 C ATOM 1460 O TYR A 92 -7.621 6.217 -5.850 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.472 3.812 -3.860 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.116 2.804 -2.935 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.478 2.851 -2.664 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.363 1.805 -2.332 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.070 1.932 -1.820 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.947 0.881 -1.487 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.300 0.950 -1.233 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.887 0.032 -0.392 1.00 0.00 O ATOM 0 H TYR A 92 -7.672 1.991 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.219 4.350 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.446 3.503 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.421 4.776 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.084 3.619 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.302 1.749 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.130 1.982 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.347 0.109 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.277 -0.722 -0.254 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.725 4.522 -7.026 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.980 5.395 -7.926 1.00 0.00 C ATOM 1480 C GLN A 93 -6.913 6.377 -8.627 1.00 0.00 C ATOM 1481 O GLN A 93 -6.481 7.431 -9.096 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.220 4.566 -8.963 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.822 4.169 -8.519 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.024 3.507 -9.624 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.240 3.773 -10.807 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.095 2.637 -9.246 1.00 0.00 N ATOM 0 H GLN A 93 -6.605 3.526 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.265 5.963 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.791 3.665 -9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.150 5.135 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.290 5.055 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.894 3.488 -7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.949 2.446 -8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.528 2.160 -9.947 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.191 6.024 -8.693 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.186 6.875 -9.339 1.00 0.00 C ATOM 1497 C CYS A 94 -10.340 7.180 -8.388 1.00 0.00 C ATOM 1498 O CYS A 94 -10.979 8.228 -8.489 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.717 6.202 -10.606 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.444 5.830 -11.834 1.00 0.00 S ATOM 0 H CYS A 94 -8.564 5.156 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.704 7.815 -9.610 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.221 5.276 -10.329 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.467 6.849 -11.061 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.991 5.261 -12.867 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.599 6.259 -7.467 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.676 6.429 -6.498 1.00 0.00 C ATOM 1508 C HIS A 95 -11.127 6.874 -5.146 1.00 0.00 C ATOM 1509 O HIS A 95 -10.185 6.278 -4.622 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.459 5.126 -6.340 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.521 4.308 -7.593 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.407 2.934 -7.602 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.688 4.678 -8.885 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.499 2.494 -8.844 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.671 3.533 -9.642 1.00 0.00 N ATOM 0 H HIS A 95 -10.078 5.387 -7.371 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.346 7.204 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.002 4.531 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.474 5.359 -6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.273 2.348 -6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.812 5.686 -9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.443 1.461 -9.154 1.00 0.00 H new ATOM 1524 N SER A 96 -11.720 7.923 -4.587 1.00 0.00 N ATOM 1525 CA SER A 96 -11.286 8.450 -3.299 1.00 0.00 C ATOM 1526 C SER A 96 -11.297 7.358 -2.233 1.00 0.00 C ATOM 1527 O SER A 96 -12.102 6.428 -2.290 1.00 0.00 O ATOM 1528 CB SER A 96 -12.189 9.608 -2.867 1.00 0.00 C ATOM 1529 OG SER A 96 -11.576 10.380 -1.849 1.00 0.00 O ATOM 0 H SER A 96 -12.503 8.425 -5.006 1.00 0.00 H new ATOM 0 HA SER A 96 -10.265 8.816 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.409 10.242 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.141 9.217 -2.508 1.00 0.00 H new ATOM 0 HG SER A 96 -11.468 11.303 -2.159 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.398 7.476 -1.264 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.302 6.500 -0.184 1.00 0.00 C ATOM 1537 C LEU A 97 -11.370 6.754 0.876 1.00 0.00 C ATOM 1538 O LEU A 97 -11.325 6.185 1.967 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.913 6.550 0.454 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.849 5.657 -0.185 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.454 6.140 0.184 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.043 4.209 0.240 1.00 0.00 C ATOM 0 H LEU A 97 -9.724 8.239 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.465 5.509 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.559 7.580 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.007 6.274 1.504 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.957 5.715 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.710 5.492 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.317 7.162 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.334 6.113 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.277 3.588 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.963 4.134 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.028 3.866 -0.075 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.331 7.610 0.546 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.414 7.936 1.467 1.00 0.00 C ATOM 1556 C LYS A 98 -14.339 6.740 1.666 1.00 0.00 C ATOM 1557 O LYS A 98 -14.908 6.557 2.741 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.213 9.132 0.943 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.353 8.742 0.018 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.074 9.964 -0.525 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.687 9.692 -1.890 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.792 8.698 -1.812 1.00 0.00 N ATOM 0 H LYS A 98 -12.382 8.091 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.973 8.195 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.617 9.688 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.539 9.804 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.964 8.150 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.060 8.111 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.856 10.265 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.375 10.797 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.065 10.624 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.916 9.326 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.396 8.783 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.393 7.738 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.360 8.877 -0.959 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.482 5.929 0.622 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.338 4.750 0.684 1.00 0.00 C ATOM 1578 C GLU A 99 -15.045 3.931 1.937 1.00 0.00 C ATOM 1579 O GLU A 99 -15.960 3.516 2.649 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.142 3.884 -0.562 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.671 4.522 -1.835 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.186 4.570 -1.879 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.806 3.524 -2.158 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.751 5.657 -1.633 1.00 0.00 O ATOM 0 H GLU A 99 -14.017 6.067 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.374 5.086 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.079 3.674 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.641 2.927 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.277 5.535 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.304 3.964 -2.696 1.00 0.00 H new ATOM 1591 N SER A 100 -13.763 3.701 2.201 1.00 0.00 N ATOM 1592 CA SER A 100 -13.348 2.927 3.366 1.00 0.00 C ATOM 1593 C SER A 100 -13.263 3.813 4.604 1.00 0.00 C ATOM 1594 O SER A 100 -13.770 3.461 5.670 1.00 0.00 O ATOM 1595 CB SER A 100 -11.995 2.261 3.107 1.00 0.00 C ATOM 1596 OG SER A 100 -12.077 1.339 2.033 1.00 0.00 O ATOM 0 H SER A 100 -12.993 4.040 1.624 1.00 0.00 H new ATOM 0 HA SER A 100 -14.096 2.155 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.249 3.023 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.661 1.746 4.008 1.00 0.00 H new ATOM 0 HG SER A 100 -11.199 0.928 1.887 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.619 4.966 4.456 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.465 5.904 5.562 1.00 0.00 C ATOM 1604 C PHE A 101 -12.989 7.286 5.181 1.00 0.00 C ATOM 1605 O PHE A 101 -12.286 8.076 4.551 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.996 6.000 5.977 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.323 4.664 6.116 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.645 3.818 7.166 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.371 4.254 5.198 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -10.027 2.588 7.296 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.751 3.024 5.322 1.00 0.00 C ATOM 1612 CZ PHE A 101 -9.080 2.190 6.373 1.00 0.00 C ATOM 0 H PHE A 101 -12.195 5.273 3.581 1.00 0.00 H new ATOM 0 HA PHE A 101 -13.049 5.533 6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.457 6.594 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.929 6.532 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.386 4.123 7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.109 4.903 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.285 1.938 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.011 2.716 4.598 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.598 1.229 6.473 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.228 7.569 5.566 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.848 8.854 5.266 1.00 0.00 C ATOM 1624 C LYS A 102 -13.886 10.002 5.554 1.00 0.00 C ATOM 1625 O LYS A 102 -13.662 10.864 4.703 1.00 0.00 O ATOM 1626 CB LYS A 102 -16.127 9.031 6.086 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.966 8.667 7.552 1.00 0.00 C ATOM 1628 CD LYS A 102 -17.308 8.600 8.261 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.146 8.690 9.771 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.188 10.099 10.251 1.00 0.00 N ATOM 0 H LYS A 102 -14.823 6.925 6.087 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.099 8.869 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.455 10.068 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.915 8.415 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.461 7.705 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.331 9.404 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.945 9.413 7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.811 7.668 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.937 8.118 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.199 8.235 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.074 10.117 11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.418 10.640 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.102 10.526 9.996 1.00 0.00 H new ATOM 1644 N GLN A 103 -13.319 10.007 6.756 1.00 0.00 N ATOM 1645 CA GLN A 103 -12.380 11.049 7.154 1.00 0.00 C ATOM 1646 C GLN A 103 -11.243 11.172 6.145 1.00 0.00 C ATOM 1647 O GLN A 103 -10.691 12.255 5.944 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.814 10.752 8.543 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.740 11.161 9.677 1.00 0.00 C ATOM 1650 CD GLN A 103 -12.912 12.664 9.777 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -11.968 13.388 10.096 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -14.122 13.141 9.507 1.00 0.00 N ATOM 0 H GLN A 103 -13.494 9.301 7.471 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.919 11.996 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.607 9.685 8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.862 11.271 8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.715 10.697 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.345 10.781 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.875 12.504 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.298 14.144 9.560 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.897 10.057 5.512 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.825 10.038 4.522 1.00 0.00 C ATOM 1663 C LEU A 104 -10.384 10.185 3.111 1.00 0.00 C ATOM 1664 O LEU A 104 -10.997 9.260 2.577 1.00 0.00 O ATOM 1665 CB LEU A 104 -9.023 8.741 4.634 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.548 8.829 4.242 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.694 9.185 5.449 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -7.081 7.518 3.626 1.00 0.00 C ATOM 0 H LEU A 104 -11.343 9.153 5.666 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.166 10.883 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.084 8.387 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.500 7.987 4.008 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.437 9.618 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.647 9.243 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.011 10.149 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.810 8.419 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.029 7.599 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.208 6.711 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.672 7.304 2.735 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.167 11.350 2.511 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.646 11.616 1.160 1.00 0.00 C ATOM 1682 C ASP A 105 -9.494 12.016 0.244 1.00 0.00 C ATOM 1683 O ASP A 105 -9.028 13.155 0.277 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.707 12.718 1.179 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.238 13.034 -0.205 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -11.535 13.735 -0.963 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.356 12.583 -0.530 1.00 0.00 O ATOM 0 H ASP A 105 -9.662 12.126 2.939 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.093 10.700 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.533 12.412 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.281 13.621 1.617 1.00 0.00 H new ATOM 1692 N THR A 106 -9.039 11.072 -0.573 1.00 0.00 N ATOM 1693 CA THR A 106 -7.940 11.325 -1.496 1.00 0.00 C ATOM 1694 C THR A 106 -7.745 10.155 -2.454 1.00 0.00 C ATOM 1695 O THR A 106 -8.213 9.044 -2.198 1.00 0.00 O ATOM 1696 CB THR A 106 -6.621 11.582 -0.744 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.610 12.014 -1.661 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.156 10.327 -0.023 1.00 0.00 C ATOM 0 H THR A 106 -9.415 10.125 -0.614 1.00 0.00 H new ATOM 0 HA THR A 106 -8.205 12.217 -2.064 1.00 0.00 H new ATOM 0 HB THR A 106 -6.797 12.363 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.775 12.177 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.223 10.533 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.915 10.018 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.997 9.529 -0.748 1.00 0.00 H new ATOM 1706 N THR A 107 -7.051 10.409 -3.559 1.00 0.00 N ATOM 1707 CA THR A 107 -6.795 9.377 -4.556 1.00 0.00 C ATOM 1708 C THR A 107 -5.331 9.371 -4.978 1.00 0.00 C ATOM 1709 O THR A 107 -4.752 10.422 -5.263 1.00 0.00 O ATOM 1710 CB THR A 107 -7.677 9.570 -5.804 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.414 10.846 -6.397 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.152 9.465 -5.446 1.00 0.00 C ATOM 0 H THR A 107 -6.656 11.322 -3.786 1.00 0.00 H new ATOM 0 HA THR A 107 -7.040 8.422 -4.092 1.00 0.00 H new ATOM 0 HB THR A 107 -7.436 8.782 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.977 10.960 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.755 9.605 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.354 8.481 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.405 10.234 -4.716 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.735 8.185 -5.017 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.337 8.043 -5.406 1.00 0.00 C ATOM 1722 C LEU A 108 -3.028 8.877 -6.646 1.00 0.00 C ATOM 1723 O LEU A 108 -3.449 8.540 -7.754 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.007 6.573 -5.671 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.599 5.564 -4.687 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.953 4.200 -4.868 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.426 6.052 -3.255 1.00 0.00 C ATOM 0 H LEU A 108 -5.199 7.307 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.719 8.405 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.353 6.319 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.923 6.459 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.665 5.468 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.387 3.495 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.128 3.847 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.880 4.279 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.853 5.322 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.365 6.177 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.936 7.007 -3.132 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.291 9.965 -6.453 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.923 10.845 -7.556 1.00 0.00 C ATOM 1741 C LYS A 109 -0.497 10.569 -8.020 1.00 0.00 C ATOM 1742 O LYS A 109 -0.281 10.022 -9.102 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.058 12.310 -7.133 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.431 12.899 -7.407 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.475 14.383 -7.086 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.907 14.886 -6.972 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.964 16.366 -6.826 1.00 0.00 N ATOM 0 H LYS A 109 -1.936 10.259 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.601 10.648 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.842 12.393 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.307 12.901 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.692 12.744 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.178 12.375 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.947 14.570 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.953 14.940 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.469 14.586 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.389 14.417 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.956 16.670 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.449 16.650 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.526 16.814 -7.656 1.00 0.00 H new ATOM 1761 N TYR A 110 0.473 10.949 -7.195 1.00 0.00 N ATOM 1762 CA TYR A 110 1.879 10.743 -7.522 1.00 0.00 C ATOM 1763 C TYR A 110 2.513 9.724 -6.581 1.00 0.00 C ATOM 1764 O TYR A 110 2.150 9.611 -5.409 1.00 0.00 O ATOM 1765 CB TYR A 110 2.642 12.067 -7.448 1.00 0.00 C ATOM 1766 CG TYR A 110 1.849 13.251 -7.952 1.00 0.00 C ATOM 1767 CD1 TYR A 110 0.940 13.905 -7.128 1.00 0.00 C ATOM 1768 CD2 TYR A 110 2.007 13.716 -9.251 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.213 14.987 -7.585 1.00 0.00 C ATOM 1770 CE2 TYR A 110 1.285 14.799 -9.715 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.388 15.431 -8.879 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.333 16.508 -9.338 1.00 0.00 O ATOM 0 H TYR A 110 0.311 11.401 -6.295 1.00 0.00 H new ATOM 0 HA TYR A 110 1.936 10.356 -8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.936 12.250 -6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.560 11.981 -8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.800 13.561 -6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.706 13.223 -9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.489 15.483 -6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.422 15.149 -10.727 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.090 16.692 -10.269 1.00 0.00 H new ATOM 1782 N PRO A 111 3.486 8.962 -7.103 1.00 0.00 N ATOM 1783 CA PRO A 111 4.194 7.940 -6.328 1.00 0.00 C ATOM 1784 C PRO A 111 5.104 8.545 -5.264 1.00 0.00 C ATOM 1785 O PRO A 111 5.089 9.755 -5.037 1.00 0.00 O ATOM 1786 CB PRO A 111 5.022 7.203 -7.383 1.00 0.00 C ATOM 1787 CG PRO A 111 5.215 8.198 -8.476 1.00 0.00 C ATOM 1788 CD PRO A 111 3.971 9.042 -8.492 1.00 0.00 C ATOM 0 HA PRO A 111 3.506 7.296 -5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.977 6.872 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.504 6.314 -7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.099 8.809 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.362 7.701 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.187 10.070 -8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.234 8.658 -9.198 1.00 0.00 H new ATOM 1796 N TYR A 112 5.895 7.697 -4.617 1.00 0.00 N ATOM 1797 CA TYR A 112 6.811 8.149 -3.576 1.00 0.00 C ATOM 1798 C TYR A 112 8.196 8.429 -4.152 1.00 0.00 C ATOM 1799 O TYR A 112 8.402 8.358 -5.364 1.00 0.00 O ATOM 1800 CB TYR A 112 6.911 7.101 -2.465 1.00 0.00 C ATOM 1801 CG TYR A 112 8.024 6.100 -2.677 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.169 5.437 -3.888 1.00 0.00 C ATOM 1803 CD2 TYR A 112 8.932 5.817 -1.662 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.184 4.521 -4.085 1.00 0.00 C ATOM 1805 CE2 TYR A 112 9.951 4.904 -1.850 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.072 4.258 -3.063 1.00 0.00 C ATOM 1807 OH TYR A 112 11.086 3.347 -3.255 1.00 0.00 O ATOM 0 H TYR A 112 5.921 6.693 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 112 6.417 9.076 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.065 7.607 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.963 6.568 -2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.476 5.641 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.839 6.320 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.282 4.014 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.649 4.697 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 112 10.704 2.479 -3.501 1.00 0.00 H new ATOM 1817 N SER A 113 9.142 8.747 -3.275 1.00 0.00 N ATOM 1818 CA SER A 113 10.507 9.040 -3.695 1.00 0.00 C ATOM 1819 C SER A 113 11.436 7.872 -3.380 1.00 0.00 C ATOM 1820 O SER A 113 11.846 7.681 -2.236 1.00 0.00 O ATOM 1821 CB SER A 113 11.013 10.309 -3.006 1.00 0.00 C ATOM 1822 OG SER A 113 12.430 10.342 -2.976 1.00 0.00 O ATOM 0 H SER A 113 8.988 8.808 -2.269 1.00 0.00 H new ATOM 0 HA SER A 113 10.503 9.197 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.637 11.187 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.623 10.355 -1.989 1.00 0.00 H new ATOM 0 HG SER A 113 12.729 11.163 -2.532 1.00 0.00 H new