USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 58 ASN : amide:sc= -7.56! C(o=-8.9!,f=-7.3!) USER MOD Set 1.2: A 60 TYR OH : rot -95:sc= -1.35 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -0.286 X(o=0.82,f=0.67) USER MOD Set 2.2: A 56 SER OG : rot 91:sc= 1.11 USER MOD Set 3.1: A 6 TYR OH : rot 123:sc= -2.08! USER MOD Set 3.2: A 14 GLN : amide:sc= -1.64! K(o=-3.7!,f=1.3) USER MOD Set 4.1: A 8 TYR OH : rot 114:sc= -3.87! USER MOD Set 4.2: A 40 TYR OH : rot -155:sc= 2.51! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD Single : A 17 SER OG : rot 88:sc= -2.89! USER MOD Single : A 18 SER OG : rot -110:sc= -2.94! USER MOD Single : A 20 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.2!) USER MOD Single : A 23 GLN : amide:sc= 0.078 K(o=0.078,f=-2.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -63:sc= 0.743 USER MOD Single : A 32 HIS : no HE2:sc= -8.74! C(o=-8.7!,f=-9.2!) USER MOD Single : A 34 THR OG1 : rot -92:sc= -1.54! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 32:sc= 0.834 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.9 X(o=-2.9,f=-2.7) USER MOD Single : A 49 ASN : amide:sc= -1.25! C(o=-1.2!,f=-4.6!) USER MOD Single : A 50 SER OG : rot -154:sc= 1.06 USER MOD Single : A 54 ASN : amide:sc= -8.46! C(o=-8.5!,f=-7.1!) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 0.361 (180deg=0.176) USER MOD Single : A 83 SER OG : rot -167:sc= -2.75! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.458 2.342 -7.231 1.00 0.00 N ATOM 80 CA TYR A 6 9.331 1.806 -8.618 1.00 0.00 C ATOM 81 C TYR A 6 8.291 2.620 -9.382 1.00 0.00 C ATOM 82 O TYR A 6 7.703 3.543 -8.857 1.00 0.00 O ATOM 83 CB TYR A 6 8.909 0.324 -8.595 1.00 0.00 C ATOM 84 CG TYR A 6 8.929 -0.215 -7.178 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.096 -0.793 -6.665 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.780 -0.131 -6.380 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.114 -1.289 -5.354 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.798 -0.627 -5.070 1.00 0.00 C ATOM 89 CZ TYR A 6 8.964 -1.204 -4.558 1.00 0.00 C ATOM 90 OH TYR A 6 8.982 -1.695 -3.269 1.00 0.00 O ATOM 0 HA TYR A 6 10.300 1.883 -9.112 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.909 0.219 -9.016 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.582 -0.261 -9.222 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.982 -0.857 -7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.880 0.316 -6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.014 -1.736 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.912 -0.564 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 6 8.738 -0.981 -2.644 1.00 0.00 H new ATOM 100 N SER A 7 8.056 2.286 -10.622 1.00 0.00 N ATOM 101 CA SER A 7 7.051 3.049 -11.410 1.00 0.00 C ATOM 102 C SER A 7 5.771 3.162 -10.587 1.00 0.00 C ATOM 103 O SER A 7 5.606 2.485 -9.592 1.00 0.00 O ATOM 104 CB SER A 7 6.756 2.311 -12.717 1.00 0.00 C ATOM 105 OG SER A 7 7.701 2.704 -13.703 1.00 0.00 O ATOM 0 H SER A 7 8.514 1.522 -11.119 1.00 0.00 H new ATOM 0 HA SER A 7 7.435 4.043 -11.641 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.805 1.234 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.745 2.537 -13.055 1.00 0.00 H new ATOM 0 HG SER A 7 7.515 2.231 -14.541 1.00 0.00 H new ATOM 111 N TYR A 8 4.863 4.007 -10.984 1.00 0.00 N ATOM 112 CA TYR A 8 3.602 4.141 -10.202 1.00 0.00 C ATOM 113 C TYR A 8 2.708 2.937 -10.492 1.00 0.00 C ATOM 114 O TYR A 8 1.826 2.982 -11.327 1.00 0.00 O ATOM 115 CB TYR A 8 2.877 5.440 -10.566 1.00 0.00 C ATOM 116 CG TYR A 8 3.158 6.462 -9.493 1.00 0.00 C ATOM 117 CD1 TYR A 8 2.818 6.184 -8.164 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.766 7.678 -9.820 1.00 0.00 C ATOM 119 CE1 TYR A 8 3.085 7.122 -7.161 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.036 8.617 -8.818 1.00 0.00 C ATOM 121 CZ TYR A 8 3.695 8.338 -7.489 1.00 0.00 C ATOM 122 OH TYR A 8 3.961 9.264 -6.504 1.00 0.00 O ATOM 0 H TYR A 8 4.936 4.605 -11.807 1.00 0.00 H new ATOM 0 HA TYR A 8 3.839 4.175 -9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.217 5.805 -11.535 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.805 5.264 -10.650 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.349 5.244 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.027 7.893 -10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.821 6.908 -6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.507 9.556 -9.070 1.00 0.00 H new ATOM 0 HH TYR A 8 4.931 9.365 -6.403 1.00 0.00 H new ATOM 132 N ALA A 9 2.945 1.860 -9.800 1.00 0.00 N ATOM 133 CA ALA A 9 2.138 0.627 -10.009 1.00 0.00 C ATOM 134 C ALA A 9 2.661 -0.469 -9.077 1.00 0.00 C ATOM 135 O ALA A 9 1.927 -1.334 -8.647 1.00 0.00 O ATOM 136 CB ALA A 9 2.262 0.170 -11.462 1.00 0.00 C ATOM 0 H ALA A 9 3.673 1.780 -9.090 1.00 0.00 H new ATOM 0 HA ALA A 9 1.090 0.830 -9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.670 -0.733 -11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.898 0.956 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.307 -0.040 -11.689 1.00 0.00 H new ATOM 142 N GLN A 10 3.929 -0.430 -8.759 1.00 0.00 N ATOM 143 CA GLN A 10 4.508 -1.454 -7.850 1.00 0.00 C ATOM 144 C GLN A 10 4.230 -1.043 -6.406 1.00 0.00 C ATOM 145 O GLN A 10 4.005 -1.874 -5.549 1.00 0.00 O ATOM 146 CB GLN A 10 6.015 -1.548 -8.077 1.00 0.00 C ATOM 147 CG GLN A 10 6.302 -2.511 -9.228 1.00 0.00 C ATOM 148 CD GLN A 10 7.788 -2.454 -9.581 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.623 -2.263 -8.719 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.157 -2.611 -10.821 1.00 0.00 N ATOM 0 H GLN A 10 4.589 0.272 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 10 4.058 -2.426 -8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.421 -0.562 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.509 -1.894 -7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.023 -3.526 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.700 -2.245 -10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.457 -2.771 -11.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.146 -2.574 -11.067 1.00 0.00 H new ATOM 159 N LEU A 11 4.212 0.238 -6.126 1.00 0.00 N ATOM 160 CA LEU A 11 3.907 0.659 -4.726 1.00 0.00 C ATOM 161 C LEU A 11 2.555 0.083 -4.405 1.00 0.00 C ATOM 162 O LEU A 11 2.199 -0.071 -3.267 1.00 0.00 O ATOM 163 CB LEU A 11 3.822 2.190 -4.528 1.00 0.00 C ATOM 164 CG LEU A 11 4.593 2.945 -5.595 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.907 2.233 -5.890 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.731 3.018 -6.843 1.00 0.00 C ATOM 0 H LEU A 11 4.391 0.992 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 11 4.715 0.308 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.777 2.501 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.214 2.451 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 11 4.827 3.953 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.454 2.782 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.507 2.185 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.702 1.223 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.267 3.558 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.505 2.009 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.802 3.540 -6.613 1.00 0.00 H new ATOM 178 N ILE A 12 1.792 -0.232 -5.419 1.00 0.00 N ATOM 179 CA ILE A 12 0.458 -0.807 -5.172 1.00 0.00 C ATOM 180 C ILE A 12 0.572 -2.321 -5.132 1.00 0.00 C ATOM 181 O ILE A 12 0.248 -2.944 -4.162 1.00 0.00 O ATOM 182 CB ILE A 12 -0.507 -0.426 -6.284 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.142 0.937 -6.876 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.917 -0.370 -5.717 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.068 1.956 -5.755 1.00 0.00 C ATOM 0 H ILE A 12 2.043 -0.113 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 12 0.082 -0.420 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.447 -1.173 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.765 0.851 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.934 1.277 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.616 -0.097 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.187 -1.347 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.960 0.374 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.327 2.923 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.849 2.052 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.876 1.620 -5.105 1.00 0.00 H new ATOM 197 N VAL A 13 1.018 -2.916 -6.194 1.00 0.00 N ATOM 198 CA VAL A 13 1.140 -4.395 -6.220 1.00 0.00 C ATOM 199 C VAL A 13 1.872 -4.876 -4.965 1.00 0.00 C ATOM 200 O VAL A 13 1.304 -5.551 -4.133 1.00 0.00 O ATOM 201 CB VAL A 13 1.944 -4.792 -7.454 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.233 -6.293 -7.416 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.139 -4.442 -8.705 1.00 0.00 C ATOM 0 H VAL A 13 1.305 -2.441 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 13 0.149 -4.848 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 13 2.891 -4.253 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.807 -6.575 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.805 -6.531 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.293 -6.844 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.706 -4.722 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.193 -4.984 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.943 -3.370 -8.723 1.00 0.00 H new ATOM 213 N GLN A 14 3.118 -4.537 -4.809 1.00 0.00 N ATOM 214 CA GLN A 14 3.851 -4.989 -3.593 1.00 0.00 C ATOM 215 C GLN A 14 3.099 -4.509 -2.348 1.00 0.00 C ATOM 216 O GLN A 14 3.222 -5.069 -1.278 1.00 0.00 O ATOM 217 CB GLN A 14 5.262 -4.399 -3.599 1.00 0.00 C ATOM 218 CG GLN A 14 6.256 -5.441 -3.080 1.00 0.00 C ATOM 219 CD GLN A 14 7.367 -4.741 -2.297 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.396 -4.792 -1.083 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.288 -4.082 -2.944 1.00 0.00 N ATOM 0 H GLN A 14 3.659 -3.972 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 14 3.916 -6.077 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.535 -4.093 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.296 -3.506 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.744 -6.161 -2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.681 -6.000 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.264 -4.039 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.032 -3.610 -2.431 1.00 0.00 H new ATOM 230 N ALA A 15 2.324 -3.468 -2.486 1.00 0.00 N ATOM 231 CA ALA A 15 1.559 -2.931 -1.324 1.00 0.00 C ATOM 232 C ALA A 15 0.429 -3.897 -0.932 1.00 0.00 C ATOM 233 O ALA A 15 0.267 -4.245 0.220 1.00 0.00 O ATOM 234 CB ALA A 15 0.962 -1.571 -1.714 1.00 0.00 C ATOM 0 H ALA A 15 2.187 -2.962 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 15 2.228 -2.818 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.399 -1.166 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.765 -0.883 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.297 -1.697 -2.568 1.00 0.00 H new ATOM 240 N ILE A 16 -0.364 -4.307 -1.884 1.00 0.00 N ATOM 241 CA ILE A 16 -1.508 -5.226 -1.590 1.00 0.00 C ATOM 242 C ILE A 16 -1.050 -6.688 -1.613 1.00 0.00 C ATOM 243 O ILE A 16 -1.220 -7.415 -0.654 1.00 0.00 O ATOM 244 CB ILE A 16 -2.627 -5.039 -2.636 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.335 -3.831 -3.542 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.955 -4.807 -1.920 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.589 -3.466 -4.341 1.00 0.00 C ATOM 0 H ILE A 16 -0.269 -4.043 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.886 -4.982 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.677 -5.938 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.017 -2.981 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.515 -4.064 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.747 -4.675 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.184 -5.667 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.883 -3.913 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.376 -2.610 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.888 -4.314 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.397 -3.214 -3.655 1.00 0.00 H new ATOM 259 N SER A 17 -0.497 -7.130 -2.707 1.00 0.00 N ATOM 260 CA SER A 17 -0.057 -8.554 -2.805 1.00 0.00 C ATOM 261 C SER A 17 0.873 -8.904 -1.641 1.00 0.00 C ATOM 262 O SER A 17 0.841 -10.003 -1.124 1.00 0.00 O ATOM 263 CB SER A 17 0.686 -8.772 -4.125 1.00 0.00 C ATOM 264 OG SER A 17 0.435 -7.681 -4.999 1.00 0.00 O ATOM 0 H SER A 17 -0.329 -6.567 -3.541 1.00 0.00 H new ATOM 0 HA SER A 17 -0.937 -9.196 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.756 -8.864 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.361 -9.704 -4.587 1.00 0.00 H new ATOM 0 HG SER A 17 1.090 -6.971 -4.832 1.00 0.00 H new ATOM 270 N SER A 18 1.704 -7.990 -1.224 1.00 0.00 N ATOM 271 CA SER A 18 2.632 -8.293 -0.096 1.00 0.00 C ATOM 272 C SER A 18 1.958 -7.957 1.236 1.00 0.00 C ATOM 273 O SER A 18 2.399 -8.379 2.286 1.00 0.00 O ATOM 274 CB SER A 18 3.906 -7.464 -0.246 1.00 0.00 C ATOM 275 OG SER A 18 4.226 -7.340 -1.626 1.00 0.00 O ATOM 0 H SER A 18 1.782 -7.050 -1.613 1.00 0.00 H new ATOM 0 HA SER A 18 2.883 -9.354 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.766 -6.478 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.728 -7.940 0.289 1.00 0.00 H new ATOM 0 HG SER A 18 5.032 -7.862 -1.823 1.00 0.00 H new ATOM 281 N ALA A 19 0.891 -7.205 1.205 1.00 0.00 N ATOM 282 CA ALA A 19 0.196 -6.848 2.474 1.00 0.00 C ATOM 283 C ALA A 19 -0.391 -8.113 3.105 1.00 0.00 C ATOM 284 O ALA A 19 -0.021 -9.218 2.762 1.00 0.00 O ATOM 285 CB ALA A 19 -0.930 -5.855 2.181 1.00 0.00 C ATOM 0 H ALA A 19 0.472 -6.823 0.357 1.00 0.00 H new ATOM 0 HA ALA A 19 0.909 -6.393 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.437 -5.595 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.513 -4.954 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.644 -6.307 1.492 1.00 0.00 H new ATOM 291 N GLN A 20 -1.303 -7.960 4.026 1.00 0.00 N ATOM 292 CA GLN A 20 -1.913 -9.154 4.678 1.00 0.00 C ATOM 293 C GLN A 20 -2.231 -10.208 3.614 1.00 0.00 C ATOM 294 O GLN A 20 -1.404 -11.031 3.275 1.00 0.00 O ATOM 295 CB GLN A 20 -3.202 -8.745 5.396 1.00 0.00 C ATOM 296 CG GLN A 20 -3.856 -7.575 4.657 1.00 0.00 C ATOM 297 CD GLN A 20 -5.360 -7.574 4.935 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.952 -8.616 5.137 1.00 0.00 O ATOM 299 NE2 GLN A 20 -6.008 -6.442 4.957 1.00 0.00 N ATOM 0 H GLN A 20 -1.652 -7.060 4.355 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.213 -9.569 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.889 -9.590 5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.982 -8.460 6.425 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.414 -6.633 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.673 -7.660 3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.512 -5.567 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.011 -6.432 5.144 1.00 0.00 H new ATOM 308 N ASP A 21 -3.423 -10.190 3.082 1.00 0.00 N ATOM 309 CA ASP A 21 -3.791 -11.189 2.040 1.00 0.00 C ATOM 310 C ASP A 21 -3.443 -10.630 0.659 1.00 0.00 C ATOM 311 O ASP A 21 -2.507 -11.067 0.017 1.00 0.00 O ATOM 312 CB ASP A 21 -5.294 -11.468 2.112 1.00 0.00 C ATOM 313 CG ASP A 21 -5.539 -12.978 2.082 1.00 0.00 C ATOM 314 OD1 ASP A 21 -4.659 -13.693 1.632 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.604 -13.394 2.511 1.00 0.00 O ATOM 0 H ASP A 21 -4.158 -9.526 3.325 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.241 -12.115 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.710 -11.040 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.803 -10.990 1.275 1.00 0.00 H new ATOM 320 N ARG A 22 -4.190 -9.666 0.199 1.00 0.00 N ATOM 321 CA ARG A 22 -3.914 -9.070 -1.137 1.00 0.00 C ATOM 322 C ARG A 22 -4.944 -7.975 -1.420 1.00 0.00 C ATOM 323 O ARG A 22 -5.336 -7.751 -2.548 1.00 0.00 O ATOM 324 CB ARG A 22 -4.012 -10.155 -2.212 1.00 0.00 C ATOM 325 CG ARG A 22 -5.201 -11.071 -1.915 1.00 0.00 C ATOM 326 CD ARG A 22 -4.714 -12.516 -1.797 1.00 0.00 C ATOM 327 NE ARG A 22 -5.220 -13.304 -2.957 1.00 0.00 N ATOM 328 CZ ARG A 22 -4.997 -14.588 -3.022 1.00 0.00 C ATOM 329 NH1 ARG A 22 -4.992 -15.307 -1.934 1.00 0.00 N ATOM 330 NH2 ARG A 22 -4.782 -15.153 -4.178 1.00 0.00 N ATOM 0 H ARG A 22 -4.985 -9.263 0.695 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.911 -8.643 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.130 -9.697 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.091 -10.737 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.688 -10.764 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.944 -10.990 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.625 -12.544 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.066 -12.955 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.741 -12.839 -3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.163 -14.866 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.818 -16.311 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.788 -14.591 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.607 -16.157 -4.231 1.00 0.00 H new ATOM 344 N GLN A 23 -5.388 -7.292 -0.400 1.00 0.00 N ATOM 345 CA GLN A 23 -6.396 -6.214 -0.600 1.00 0.00 C ATOM 346 C GLN A 23 -6.018 -5.000 0.251 1.00 0.00 C ATOM 347 O GLN A 23 -5.803 -5.112 1.442 1.00 0.00 O ATOM 348 CB GLN A 23 -7.775 -6.728 -0.173 1.00 0.00 C ATOM 349 CG GLN A 23 -7.836 -6.822 1.354 1.00 0.00 C ATOM 350 CD GLN A 23 -9.030 -7.685 1.768 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.871 -8.012 0.954 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.140 -8.070 3.011 1.00 0.00 N ATOM 0 H GLN A 23 -5.094 -7.435 0.566 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.422 -5.926 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.553 -6.058 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.963 -7.706 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.912 -7.253 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.927 -5.826 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.434 -7.796 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.932 -8.645 3.299 1.00 0.00 H new ATOM 361 N LEU A 24 -5.942 -3.840 -0.343 1.00 0.00 N ATOM 362 CA LEU A 24 -5.585 -2.630 0.440 1.00 0.00 C ATOM 363 C LEU A 24 -6.651 -1.562 0.244 1.00 0.00 C ATOM 364 O LEU A 24 -7.137 -1.353 -0.848 1.00 0.00 O ATOM 365 CB LEU A 24 -4.254 -2.064 -0.051 1.00 0.00 C ATOM 366 CG LEU A 24 -3.103 -2.911 0.482 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.779 -2.327 -0.010 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.134 -2.899 2.011 1.00 0.00 C ATOM 0 H LEU A 24 -6.112 -3.681 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.510 -2.907 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.234 -2.051 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.142 -1.032 0.282 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.202 -3.936 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.953 -2.929 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.762 -2.332 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.677 -1.303 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.313 -3.503 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.030 -1.875 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.082 -3.310 2.359 1.00 0.00 H new ATOM 380 N THR A 25 -6.991 -0.856 1.282 1.00 0.00 N ATOM 381 CA THR A 25 -7.995 0.225 1.133 1.00 0.00 C ATOM 382 C THR A 25 -7.276 1.424 0.522 1.00 0.00 C ATOM 383 O THR A 25 -6.123 1.329 0.151 1.00 0.00 O ATOM 384 CB THR A 25 -8.559 0.598 2.507 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.600 1.368 3.217 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.879 -0.674 3.292 1.00 0.00 C ATOM 0 H THR A 25 -6.618 -0.981 2.223 1.00 0.00 H new ATOM 0 HA THR A 25 -8.823 -0.094 0.499 1.00 0.00 H new ATOM 0 HB THR A 25 -9.471 1.181 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.960 1.609 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.280 -0.407 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.616 -1.263 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.969 -1.260 3.421 1.00 0.00 H new ATOM 394 N LEU A 26 -7.917 2.546 0.409 1.00 0.00 N ATOM 395 CA LEU A 26 -7.206 3.713 -0.183 1.00 0.00 C ATOM 396 C LEU A 26 -6.052 4.100 0.745 1.00 0.00 C ATOM 397 O LEU A 26 -5.027 4.579 0.309 1.00 0.00 O ATOM 398 CB LEU A 26 -8.157 4.903 -0.354 1.00 0.00 C ATOM 399 CG LEU A 26 -8.043 5.437 -1.786 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.443 5.729 -2.331 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.221 6.726 -1.779 1.00 0.00 C ATOM 0 H LEU A 26 -8.883 2.709 0.693 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.826 3.442 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.183 4.597 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.909 5.688 0.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.554 4.695 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.365 6.109 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.032 4.812 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.930 6.474 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.137 7.110 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.713 7.468 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.225 6.521 -1.386 1.00 0.00 H new ATOM 413 N SER A 27 -6.213 3.887 2.025 1.00 0.00 N ATOM 414 CA SER A 27 -5.126 4.235 2.985 1.00 0.00 C ATOM 415 C SER A 27 -4.320 2.981 3.345 1.00 0.00 C ATOM 416 O SER A 27 -3.627 2.946 4.341 1.00 0.00 O ATOM 417 CB SER A 27 -5.735 4.827 4.256 1.00 0.00 C ATOM 418 OG SER A 27 -5.043 6.021 4.595 1.00 0.00 O ATOM 0 H SER A 27 -7.051 3.487 2.446 1.00 0.00 H new ATOM 0 HA SER A 27 -4.464 4.965 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.793 5.037 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.668 4.109 5.074 1.00 0.00 H new ATOM 0 HG SER A 27 -5.432 6.405 5.409 1.00 0.00 H new ATOM 424 N GLY A 28 -4.380 1.964 2.530 1.00 0.00 N ATOM 425 CA GLY A 28 -3.590 0.732 2.812 1.00 0.00 C ATOM 426 C GLY A 28 -2.365 0.806 1.926 1.00 0.00 C ATOM 427 O GLY A 28 -1.245 0.584 2.337 1.00 0.00 O ATOM 0 H GLY A 28 -4.943 1.933 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.308 0.682 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.174 -0.163 2.596 1.00 0.00 H new ATOM 431 N ILE A 29 -2.601 1.164 0.704 1.00 0.00 N ATOM 432 CA ILE A 29 -1.515 1.328 -0.274 1.00 0.00 C ATOM 433 C ILE A 29 -0.561 2.390 0.265 1.00 0.00 C ATOM 434 O ILE A 29 0.612 2.421 -0.049 1.00 0.00 O ATOM 435 CB ILE A 29 -2.155 1.775 -1.588 1.00 0.00 C ATOM 436 CG1 ILE A 29 -1.209 1.482 -2.746 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.469 3.271 -1.539 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.031 2.345 -2.590 1.00 0.00 C ATOM 0 H ILE A 29 -3.533 1.355 0.336 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.956 0.407 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.085 1.225 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.937 0.427 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.699 1.692 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.925 3.578 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.159 3.471 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.547 3.831 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.718 2.146 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.254 3.397 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.520 2.112 -1.644 1.00 0.00 H new ATOM 450 N TYR A 30 -1.078 3.255 1.092 1.00 0.00 N ATOM 451 CA TYR A 30 -0.236 4.332 1.689 1.00 0.00 C ATOM 452 C TYR A 30 0.451 3.813 2.947 1.00 0.00 C ATOM 453 O TYR A 30 1.657 3.804 3.045 1.00 0.00 O ATOM 454 CB TYR A 30 -1.116 5.528 2.055 1.00 0.00 C ATOM 455 CG TYR A 30 -1.924 5.922 0.852 1.00 0.00 C ATOM 456 CD1 TYR A 30 -1.404 5.705 -0.423 1.00 0.00 C ATOM 457 CD2 TYR A 30 -3.192 6.492 1.004 1.00 0.00 C ATOM 458 CE1 TYR A 30 -2.142 6.056 -1.547 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.935 6.845 -0.127 1.00 0.00 C ATOM 460 CZ TYR A 30 -3.411 6.626 -1.406 1.00 0.00 C ATOM 461 OH TYR A 30 -4.143 6.973 -2.522 1.00 0.00 O ATOM 0 H TYR A 30 -2.056 3.263 1.383 1.00 0.00 H new ATOM 0 HA TYR A 30 0.517 4.638 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.775 5.272 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.499 6.364 2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.425 5.263 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.596 6.659 1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.734 5.888 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.914 7.287 -0.013 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.671 7.675 -3.017 1.00 0.00 H new ATOM 471 N ALA A 31 -0.308 3.384 3.915 1.00 0.00 N ATOM 472 CA ALA A 31 0.310 2.869 5.166 1.00 0.00 C ATOM 473 C ALA A 31 1.274 1.728 4.823 1.00 0.00 C ATOM 474 O ALA A 31 2.108 1.347 5.620 1.00 0.00 O ATOM 475 CB ALA A 31 -0.788 2.348 6.095 1.00 0.00 C ATOM 0 H ALA A 31 -1.328 3.368 3.894 1.00 0.00 H new ATOM 0 HA ALA A 31 0.857 3.670 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.339 1.970 7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.476 3.158 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.333 1.544 5.600 1.00 0.00 H new ATOM 481 N HIS A 32 1.160 1.178 3.643 1.00 0.00 N ATOM 482 CA HIS A 32 2.060 0.061 3.250 1.00 0.00 C ATOM 483 C HIS A 32 3.444 0.608 2.869 1.00 0.00 C ATOM 484 O HIS A 32 4.423 0.365 3.545 1.00 0.00 O ATOM 485 CB HIS A 32 1.446 -0.683 2.060 1.00 0.00 C ATOM 486 CG HIS A 32 2.337 -1.836 1.690 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.922 -3.153 1.801 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.628 -1.886 1.227 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.948 -3.935 1.415 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.013 -3.212 1.055 1.00 0.00 N ATOM 0 H HIS A 32 0.480 1.457 2.935 1.00 0.00 H new ATOM 0 HA HIS A 32 2.176 -0.625 4.089 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.450 -1.044 2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.333 -0.008 1.212 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.006 -3.472 2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.251 -1.027 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.914 -5.014 1.398 1.00 0.00 H new ATOM 498 N ILE A 33 3.529 1.338 1.792 1.00 0.00 N ATOM 499 CA ILE A 33 4.845 1.902 1.357 1.00 0.00 C ATOM 500 C ILE A 33 5.438 2.776 2.469 1.00 0.00 C ATOM 501 O ILE A 33 6.633 2.829 2.663 1.00 0.00 O ATOM 502 CB ILE A 33 4.627 2.765 0.120 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.622 3.865 0.446 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.085 1.906 -1.021 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.371 5.082 0.982 1.00 0.00 C ATOM 0 H ILE A 33 2.741 1.572 1.188 1.00 0.00 H new ATOM 0 HA ILE A 33 5.530 1.084 1.137 1.00 0.00 H new ATOM 0 HB ILE A 33 5.575 3.209 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.056 4.134 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.903 3.511 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.931 2.528 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.800 1.117 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.137 1.460 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.659 5.873 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.917 4.805 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.073 5.438 0.228 1.00 0.00 H new ATOM 517 N THR A 34 4.613 3.477 3.185 1.00 0.00 N ATOM 518 CA THR A 34 5.126 4.362 4.272 1.00 0.00 C ATOM 519 C THR A 34 5.910 3.535 5.296 1.00 0.00 C ATOM 520 O THR A 34 6.796 4.035 5.961 1.00 0.00 O ATOM 521 CB THR A 34 3.949 5.046 4.974 1.00 0.00 C ATOM 522 OG1 THR A 34 2.853 4.144 5.039 1.00 0.00 O ATOM 523 CG2 THR A 34 3.538 6.297 4.196 1.00 0.00 C ATOM 0 H THR A 34 3.600 3.479 3.068 1.00 0.00 H new ATOM 0 HA THR A 34 5.784 5.114 3.835 1.00 0.00 H new ATOM 0 HB THR A 34 4.246 5.334 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.281 4.267 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.700 6.780 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.379 6.988 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.241 6.016 3.186 1.00 0.00 H new ATOM 531 N LYS A 35 5.588 2.279 5.439 1.00 0.00 N ATOM 532 CA LYS A 35 6.312 1.433 6.432 1.00 0.00 C ATOM 533 C LYS A 35 7.640 0.947 5.841 1.00 0.00 C ATOM 534 O LYS A 35 8.699 1.199 6.382 1.00 0.00 O ATOM 535 CB LYS A 35 5.446 0.227 6.802 1.00 0.00 C ATOM 536 CG LYS A 35 6.010 -0.442 8.059 1.00 0.00 C ATOM 537 CD LYS A 35 5.401 0.210 9.301 1.00 0.00 C ATOM 538 CE LYS A 35 6.520 0.759 10.189 1.00 0.00 C ATOM 539 NZ LYS A 35 6.162 2.129 10.653 1.00 0.00 N ATOM 0 H LYS A 35 4.856 1.802 4.913 1.00 0.00 H new ATOM 0 HA LYS A 35 6.516 2.026 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.418 0.544 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.424 -0.485 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.785 -1.509 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.095 -0.345 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.726 1.015 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.808 -0.519 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.674 0.102 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.458 0.785 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.923 2.501 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.036 2.752 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.276 2.091 11.197 1.00 0.00 H new ATOM 553 N HIS A 36 7.595 0.247 4.739 1.00 0.00 N ATOM 554 CA HIS A 36 8.858 -0.260 4.126 1.00 0.00 C ATOM 555 C HIS A 36 9.582 0.883 3.409 1.00 0.00 C ATOM 556 O HIS A 36 10.750 1.128 3.634 1.00 0.00 O ATOM 557 CB HIS A 36 8.526 -1.364 3.120 1.00 0.00 C ATOM 558 CG HIS A 36 8.716 -2.706 3.771 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.862 -3.465 3.582 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.918 -3.437 4.616 1.00 0.00 C ATOM 561 CE1 HIS A 36 9.723 -4.594 4.300 1.00 0.00 C ATOM 562 NE2 HIS A 36 8.556 -4.628 4.950 1.00 0.00 N ATOM 0 H HIS A 36 6.741 0.005 4.237 1.00 0.00 H new ATOM 0 HA HIS A 36 9.504 -0.659 4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.498 -1.258 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.169 -1.278 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.943 -3.134 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.465 -5.378 4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.208 -5.368 5.560 1.00 0.00 H new ATOM 570 N TYR A 37 8.900 1.580 2.543 1.00 0.00 N ATOM 571 CA TYR A 37 9.556 2.701 1.806 1.00 0.00 C ATOM 572 C TYR A 37 9.642 3.936 2.716 1.00 0.00 C ATOM 573 O TYR A 37 8.630 4.454 3.145 1.00 0.00 O ATOM 574 CB TYR A 37 8.742 3.057 0.554 1.00 0.00 C ATOM 575 CG TYR A 37 9.491 2.593 -0.662 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.493 1.237 -1.001 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.186 3.516 -1.446 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.193 0.802 -2.129 1.00 0.00 C ATOM 579 CE2 TYR A 37 10.886 3.083 -2.575 1.00 0.00 C ATOM 580 CZ TYR A 37 10.891 1.725 -2.918 1.00 0.00 C ATOM 581 OH TYR A 37 11.584 1.296 -4.032 1.00 0.00 O ATOM 0 H TYR A 37 7.919 1.424 2.313 1.00 0.00 H new ATOM 0 HA TYR A 37 10.557 2.389 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 37 7.761 2.584 0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.575 4.133 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.954 0.527 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.182 4.563 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.196 -0.245 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.423 3.796 -3.183 1.00 0.00 H new ATOM 0 HH TYR A 37 11.127 0.523 -4.424 1.00 0.00 H new ATOM 591 N PRO A 38 10.851 4.373 2.985 1.00 0.00 N ATOM 592 CA PRO A 38 11.098 5.545 3.841 1.00 0.00 C ATOM 593 C PRO A 38 10.879 6.842 3.056 1.00 0.00 C ATOM 594 O PRO A 38 10.174 7.730 3.492 1.00 0.00 O ATOM 595 CB PRO A 38 12.568 5.398 4.240 1.00 0.00 C ATOM 596 CG PRO A 38 13.225 4.503 3.161 1.00 0.00 C ATOM 597 CD PRO A 38 12.082 3.740 2.465 1.00 0.00 C ATOM 0 HA PRO A 38 10.428 5.592 4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.057 6.371 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.659 4.946 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.781 5.106 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.935 3.810 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.147 3.828 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.112 2.676 2.701 1.00 0.00 H new ATOM 605 N TYR A 39 11.481 6.965 1.905 1.00 0.00 N ATOM 606 CA TYR A 39 11.308 8.212 1.107 1.00 0.00 C ATOM 607 C TYR A 39 9.829 8.411 0.777 1.00 0.00 C ATOM 608 O TYR A 39 9.357 9.523 0.652 1.00 0.00 O ATOM 609 CB TYR A 39 12.107 8.111 -0.193 1.00 0.00 C ATOM 610 CG TYR A 39 11.927 9.384 -0.983 1.00 0.00 C ATOM 611 CD1 TYR A 39 10.872 9.498 -1.895 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.810 10.454 -0.797 1.00 0.00 C ATOM 613 CE1 TYR A 39 10.699 10.682 -2.621 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.639 11.638 -1.524 1.00 0.00 C ATOM 615 CZ TYR A 39 11.582 11.753 -2.436 1.00 0.00 C ATOM 616 OH TYR A 39 11.413 12.921 -3.150 1.00 0.00 O ATOM 0 H TYR A 39 12.084 6.258 1.483 1.00 0.00 H new ATOM 0 HA TYR A 39 11.669 9.060 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.163 7.950 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.769 7.255 -0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.191 8.672 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.624 10.366 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.884 10.770 -3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.322 12.463 -1.382 1.00 0.00 H new ATOM 0 HH TYR A 39 12.111 13.561 -2.900 1.00 0.00 H new ATOM 626 N TYR A 40 9.094 7.345 0.633 1.00 0.00 N ATOM 627 CA TYR A 40 7.649 7.485 0.309 1.00 0.00 C ATOM 628 C TYR A 40 6.840 7.571 1.605 1.00 0.00 C ATOM 629 O TYR A 40 5.710 7.136 1.670 1.00 0.00 O ATOM 630 CB TYR A 40 7.189 6.276 -0.510 1.00 0.00 C ATOM 631 CG TYR A 40 6.831 6.730 -1.904 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.570 7.750 -2.510 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.755 6.145 -2.585 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.240 8.188 -3.798 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.424 6.583 -3.874 1.00 0.00 C ATOM 636 CZ TYR A 40 6.166 7.605 -4.480 1.00 0.00 C ATOM 637 OH TYR A 40 5.837 8.038 -5.748 1.00 0.00 O ATOM 0 H TYR A 40 9.430 6.386 0.725 1.00 0.00 H new ATOM 0 HA TYR A 40 7.493 8.394 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.979 5.527 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.328 5.806 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.398 8.201 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.182 5.358 -2.117 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.814 8.975 -4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.596 6.132 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 40 4.890 7.853 -5.922 1.00 0.00 H new ATOM 647 N ARG A 41 7.407 8.133 2.638 1.00 0.00 N ATOM 648 CA ARG A 41 6.661 8.244 3.924 1.00 0.00 C ATOM 649 C ARG A 41 6.641 9.706 4.385 1.00 0.00 C ATOM 650 O ARG A 41 5.720 10.144 5.047 1.00 0.00 O ATOM 651 CB ARG A 41 7.340 7.365 4.985 1.00 0.00 C ATOM 652 CG ARG A 41 8.546 8.098 5.580 1.00 0.00 C ATOM 653 CD ARG A 41 8.099 8.910 6.797 1.00 0.00 C ATOM 654 NE ARG A 41 9.219 8.994 7.777 1.00 0.00 N ATOM 655 CZ ARG A 41 9.285 9.998 8.607 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.608 9.969 9.721 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.029 11.031 8.324 1.00 0.00 N ATOM 0 H ARG A 41 8.351 8.519 2.647 1.00 0.00 H new ATOM 0 HA ARG A 41 5.635 7.905 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.629 7.118 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.660 6.424 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.314 7.381 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.990 8.756 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.796 9.910 6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.230 8.442 7.260 1.00 0.00 H new ATOM 0 HE ARG A 41 9.934 8.267 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.027 9.161 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.660 10.754 10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.560 11.054 7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.080 11.816 8.973 1.00 0.00 H new ATOM 671 N THR A 42 7.649 10.462 4.044 1.00 0.00 N ATOM 672 CA THR A 42 7.685 11.891 4.467 1.00 0.00 C ATOM 673 C THR A 42 6.849 12.734 3.500 1.00 0.00 C ATOM 674 O THR A 42 6.078 13.580 3.908 1.00 0.00 O ATOM 675 CB THR A 42 9.132 12.391 4.457 1.00 0.00 C ATOM 676 OG1 THR A 42 9.166 13.740 4.901 1.00 0.00 O ATOM 677 CG2 THR A 42 9.696 12.303 3.038 1.00 0.00 C ATOM 0 H THR A 42 8.448 10.152 3.491 1.00 0.00 H new ATOM 0 HA THR A 42 7.276 11.980 5.473 1.00 0.00 H new ATOM 0 HB THR A 42 9.736 11.773 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.091 14.062 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.726 12.659 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.669 11.267 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.096 12.919 2.369 1.00 0.00 H new ATOM 685 N ALA A 43 6.998 12.510 2.224 1.00 0.00 N ATOM 686 CA ALA A 43 6.213 13.300 1.234 1.00 0.00 C ATOM 687 C ALA A 43 4.764 12.810 1.226 1.00 0.00 C ATOM 688 O ALA A 43 4.467 11.713 1.657 1.00 0.00 O ATOM 689 CB ALA A 43 6.817 13.119 -0.159 1.00 0.00 C ATOM 0 H ALA A 43 7.628 11.815 1.824 1.00 0.00 H new ATOM 0 HA ALA A 43 6.241 14.355 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.242 13.697 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.850 13.466 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.790 12.064 -0.433 1.00 0.00 H new ATOM 695 N ASP A 44 3.859 13.612 0.737 1.00 0.00 N ATOM 696 CA ASP A 44 2.432 13.186 0.700 1.00 0.00 C ATOM 697 C ASP A 44 1.751 13.785 -0.530 1.00 0.00 C ATOM 698 O ASP A 44 1.029 13.113 -1.239 1.00 0.00 O ATOM 699 CB ASP A 44 1.716 13.674 1.961 1.00 0.00 C ATOM 700 CG ASP A 44 1.934 15.179 2.124 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.931 15.553 2.719 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.100 15.934 1.650 1.00 0.00 O ATOM 0 H ASP A 44 4.045 14.542 0.362 1.00 0.00 H new ATOM 0 HA ASP A 44 2.384 12.098 0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.650 13.456 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.095 13.144 2.835 1.00 0.00 H new ATOM 707 N LYS A 45 1.967 15.045 -0.789 1.00 0.00 N ATOM 708 CA LYS A 45 1.321 15.678 -1.972 1.00 0.00 C ATOM 709 C LYS A 45 2.105 15.337 -3.241 1.00 0.00 C ATOM 710 O LYS A 45 2.870 16.136 -3.743 1.00 0.00 O ATOM 711 CB LYS A 45 1.281 17.197 -1.787 1.00 0.00 C ATOM 712 CG LYS A 45 2.666 17.700 -1.373 1.00 0.00 C ATOM 713 CD LYS A 45 2.706 19.225 -1.483 1.00 0.00 C ATOM 714 CE LYS A 45 2.516 19.637 -2.943 1.00 0.00 C ATOM 715 NZ LYS A 45 3.096 20.993 -3.156 1.00 0.00 N ATOM 0 H LYS A 45 2.561 15.662 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 45 0.304 15.297 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.970 17.678 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.545 17.462 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.886 17.392 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.431 17.258 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.923 19.665 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.658 19.602 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.000 18.915 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.456 19.639 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.967 21.274 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.615 21.677 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.111 20.976 -2.930 1.00 0.00 H new ATOM 729 N GLY A 46 1.914 14.158 -3.763 1.00 0.00 N ATOM 730 CA GLY A 46 2.641 13.761 -5.003 1.00 0.00 C ATOM 731 C GLY A 46 2.256 12.329 -5.381 1.00 0.00 C ATOM 732 O GLY A 46 1.916 12.041 -6.511 1.00 0.00 O ATOM 0 H GLY A 46 1.285 13.450 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.394 14.443 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.717 13.830 -4.845 1.00 0.00 H new ATOM 736 N TRP A 47 2.311 11.431 -4.436 1.00 0.00 N ATOM 737 CA TRP A 47 1.956 10.013 -4.718 1.00 0.00 C ATOM 738 C TRP A 47 0.602 9.693 -4.090 1.00 0.00 C ATOM 739 O TRP A 47 0.036 8.644 -4.320 1.00 0.00 O ATOM 740 CB TRP A 47 3.016 9.090 -4.111 1.00 0.00 C ATOM 741 CG TRP A 47 2.948 9.153 -2.617 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.291 10.227 -1.867 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.537 8.117 -1.677 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.114 9.920 -0.534 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.655 8.632 -0.362 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.077 6.795 -1.831 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.337 7.866 0.756 1.00 0.00 C ATOM 748 CZ3 TRP A 47 1.755 6.023 -0.704 1.00 0.00 C ATOM 749 CH2 TRP A 47 1.886 6.556 0.586 1.00 0.00 C ATOM 0 H TRP A 47 2.589 11.621 -3.473 1.00 0.00 H new ATOM 0 HA TRP A 47 1.909 9.862 -5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.856 8.066 -4.449 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.008 9.387 -4.452 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.646 11.172 -2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.300 10.568 0.232 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.972 6.374 -2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.438 8.282 1.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.403 5.010 -0.832 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.638 5.954 1.447 1.00 0.00 H new ATOM 760 N GLN A 48 0.082 10.581 -3.291 1.00 0.00 N ATOM 761 CA GLN A 48 -1.230 10.309 -2.649 1.00 0.00 C ATOM 762 C GLN A 48 -2.292 10.099 -3.732 1.00 0.00 C ATOM 763 O GLN A 48 -2.766 9.002 -3.945 1.00 0.00 O ATOM 764 CB GLN A 48 -1.621 11.488 -1.760 1.00 0.00 C ATOM 765 CG GLN A 48 -2.381 10.973 -0.537 1.00 0.00 C ATOM 766 CD GLN A 48 -1.521 9.948 0.205 1.00 0.00 C ATOM 767 OE1 GLN A 48 -2.030 9.148 0.964 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.229 9.937 0.017 1.00 0.00 N ATOM 0 H GLN A 48 0.507 11.478 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.157 9.410 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.730 12.032 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.241 12.189 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.630 11.802 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.322 10.518 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.199 10.608 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.352 9.257 0.507 1.00 0.00 H new ATOM 777 N ASN A 49 -2.665 11.142 -4.426 1.00 0.00 N ATOM 778 CA ASN A 49 -3.688 10.992 -5.500 1.00 0.00 C ATOM 779 C ASN A 49 -3.081 10.204 -6.659 1.00 0.00 C ATOM 780 O ASN A 49 -3.779 9.703 -7.518 1.00 0.00 O ATOM 781 CB ASN A 49 -4.124 12.373 -5.992 1.00 0.00 C ATOM 782 CG ASN A 49 -4.206 13.336 -4.808 1.00 0.00 C ATOM 783 OD1 ASN A 49 -4.227 12.915 -3.668 1.00 0.00 O ATOM 784 ND2 ASN A 49 -4.253 14.621 -5.028 1.00 0.00 N ATOM 0 H ASN A 49 -2.306 12.088 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.556 10.462 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.415 12.748 -6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.093 12.305 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.307 15.271 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.235 14.976 -5.984 1.00 0.00 H new ATOM 791 N SER A 50 -1.783 10.087 -6.686 1.00 0.00 N ATOM 792 CA SER A 50 -1.128 9.325 -7.783 1.00 0.00 C ATOM 793 C SER A 50 -1.519 7.852 -7.665 1.00 0.00 C ATOM 794 O SER A 50 -1.780 7.192 -8.647 1.00 0.00 O ATOM 795 CB SER A 50 0.390 9.467 -7.667 1.00 0.00 C ATOM 796 OG SER A 50 0.963 9.566 -8.968 1.00 0.00 O ATOM 0 H SER A 50 -1.148 10.487 -5.995 1.00 0.00 H new ATOM 0 HA SER A 50 -1.450 9.714 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.639 10.352 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.806 8.608 -7.140 1.00 0.00 H new ATOM 0 HG SER A 50 1.892 9.255 -8.941 1.00 0.00 H new ATOM 802 N ILE A 51 -1.567 7.338 -6.465 1.00 0.00 N ATOM 803 CA ILE A 51 -1.948 5.909 -6.274 1.00 0.00 C ATOM 804 C ILE A 51 -3.409 5.722 -6.686 1.00 0.00 C ATOM 805 O ILE A 51 -3.720 4.879 -7.490 1.00 0.00 O ATOM 806 CB ILE A 51 -1.768 5.533 -4.792 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.342 5.044 -4.529 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.728 4.406 -4.386 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.662 5.843 -5.352 1.00 0.00 C ATOM 0 H ILE A 51 -1.358 7.848 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.316 5.267 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.978 6.430 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.109 5.140 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.263 3.986 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.578 4.162 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.757 4.731 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.532 3.524 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.669 5.479 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.439 5.725 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.596 6.897 -5.083 1.00 0.00 H new ATOM 821 N ARG A 52 -4.306 6.491 -6.129 1.00 0.00 N ATOM 822 CA ARG A 52 -5.744 6.330 -6.492 1.00 0.00 C ATOM 823 C ARG A 52 -5.881 6.308 -8.014 1.00 0.00 C ATOM 824 O ARG A 52 -6.511 5.439 -8.580 1.00 0.00 O ATOM 825 CB ARG A 52 -6.556 7.498 -5.927 1.00 0.00 C ATOM 826 CG ARG A 52 -8.039 7.280 -6.233 1.00 0.00 C ATOM 827 CD ARG A 52 -8.409 8.009 -7.526 1.00 0.00 C ATOM 828 NE ARG A 52 -9.141 9.265 -7.195 1.00 0.00 N ATOM 829 CZ ARG A 52 -8.871 10.368 -7.839 1.00 0.00 C ATOM 830 NH1 ARG A 52 -7.803 11.056 -7.538 1.00 0.00 N ATOM 831 NH2 ARG A 52 -9.670 10.786 -8.782 1.00 0.00 N ATOM 0 H ARG A 52 -4.107 7.219 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.119 5.396 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.403 7.575 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.217 8.437 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.247 6.215 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.649 7.649 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.509 8.239 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.029 7.368 -8.153 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.853 9.262 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.179 10.732 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.593 11.918 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.506 10.251 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.458 11.648 -9.285 1.00 0.00 H new ATOM 845 N HIS A 53 -5.287 7.258 -8.679 1.00 0.00 N ATOM 846 CA HIS A 53 -5.372 7.296 -10.164 1.00 0.00 C ATOM 847 C HIS A 53 -4.636 6.083 -10.739 1.00 0.00 C ATOM 848 O HIS A 53 -4.968 5.582 -11.795 1.00 0.00 O ATOM 849 CB HIS A 53 -4.716 8.584 -10.665 1.00 0.00 C ATOM 850 CG HIS A 53 -5.487 9.125 -11.836 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.315 10.422 -12.298 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.437 8.561 -12.651 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.141 10.591 -13.347 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.848 9.488 -13.604 1.00 0.00 N ATOM 0 H HIS A 53 -4.745 8.012 -8.257 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.414 7.270 -10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.686 9.323 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.684 8.388 -10.956 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.809 7.551 -12.565 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.222 11.508 -13.912 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.541 9.354 -14.341 1.00 0.00 H new ATOM 862 N ASN A 54 -3.635 5.611 -10.048 1.00 0.00 N ATOM 863 CA ASN A 54 -2.863 4.434 -10.540 1.00 0.00 C ATOM 864 C ASN A 54 -3.711 3.166 -10.424 1.00 0.00 C ATOM 865 O ASN A 54 -3.548 2.231 -11.183 1.00 0.00 O ATOM 866 CB ASN A 54 -1.596 4.270 -9.701 1.00 0.00 C ATOM 867 CG ASN A 54 -0.514 5.218 -10.220 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.272 5.287 -11.409 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.149 5.957 -9.375 1.00 0.00 N ATOM 0 H ASN A 54 -3.316 5.993 -9.157 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.597 4.595 -11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.810 4.484 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.245 3.239 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.871 6.594 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.055 5.899 -8.377 1.00 0.00 H new ATOM 876 N LEU A 55 -4.606 3.119 -9.478 1.00 0.00 N ATOM 877 CA LEU A 55 -5.447 1.908 -9.316 1.00 0.00 C ATOM 878 C LEU A 55 -6.488 1.862 -10.436 1.00 0.00 C ATOM 879 O LEU A 55 -7.147 0.863 -10.645 1.00 0.00 O ATOM 880 CB LEU A 55 -6.127 1.954 -7.945 1.00 0.00 C ATOM 881 CG LEU A 55 -5.055 2.096 -6.857 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.711 2.116 -5.476 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.086 0.917 -6.941 1.00 0.00 C ATOM 0 H LEU A 55 -4.789 3.869 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.833 1.009 -9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.823 2.792 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.709 1.047 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.513 3.029 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.943 2.217 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.400 2.958 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.259 1.187 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.324 1.017 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.633 -0.014 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.610 0.907 -7.921 1.00 0.00 H new ATOM 895 N SER A 56 -6.627 2.935 -11.168 1.00 0.00 N ATOM 896 CA SER A 56 -7.608 2.954 -12.288 1.00 0.00 C ATOM 897 C SER A 56 -6.910 2.483 -13.566 1.00 0.00 C ATOM 898 O SER A 56 -7.514 1.885 -14.434 1.00 0.00 O ATOM 899 CB SER A 56 -8.131 4.378 -12.489 1.00 0.00 C ATOM 900 OG SER A 56 -7.535 5.236 -11.524 1.00 0.00 O ATOM 0 H SER A 56 -6.102 3.800 -11.037 1.00 0.00 H new ATOM 0 HA SER A 56 -8.444 2.294 -12.056 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.897 4.725 -13.495 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.216 4.397 -12.389 1.00 0.00 H new ATOM 0 HG SER A 56 -6.708 5.614 -11.889 1.00 0.00 H new ATOM 906 N LEU A 57 -5.636 2.747 -13.683 1.00 0.00 N ATOM 907 CA LEU A 57 -4.889 2.316 -14.897 1.00 0.00 C ATOM 908 C LEU A 57 -4.532 0.835 -14.770 1.00 0.00 C ATOM 909 O LEU A 57 -4.842 0.034 -15.631 1.00 0.00 O ATOM 910 CB LEU A 57 -3.602 3.136 -15.021 1.00 0.00 C ATOM 911 CG LEU A 57 -3.892 4.455 -15.741 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.596 4.172 -17.069 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.792 5.329 -14.863 1.00 0.00 C ATOM 0 H LEU A 57 -5.080 3.244 -12.987 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.508 2.471 -15.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.190 3.335 -14.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.851 2.569 -15.571 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.954 4.975 -15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.801 5.113 -17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.955 3.551 -17.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.534 3.650 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.999 6.269 -15.376 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.729 4.807 -14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.290 5.534 -13.918 1.00 0.00 H new ATOM 925 N ASN A 58 -3.884 0.464 -13.699 1.00 0.00 N ATOM 926 CA ASN A 58 -3.506 -0.963 -13.511 1.00 0.00 C ATOM 927 C ASN A 58 -4.686 -1.853 -13.898 1.00 0.00 C ATOM 928 O ASN A 58 -5.718 -1.847 -13.258 1.00 0.00 O ATOM 929 CB ASN A 58 -3.138 -1.198 -12.044 1.00 0.00 C ATOM 930 CG ASN A 58 -2.208 -0.077 -11.570 1.00 0.00 C ATOM 931 OD1 ASN A 58 -2.088 0.168 -10.387 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.540 0.619 -12.452 1.00 0.00 N ATOM 0 H ASN A 58 -3.600 1.090 -12.945 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.650 -1.206 -14.141 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.039 -1.223 -11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.648 -2.165 -11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.918 1.368 -12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.640 0.414 -13.446 1.00 0.00 H new ATOM 939 N ARG A 59 -4.545 -2.613 -14.949 1.00 0.00 N ATOM 940 CA ARG A 59 -5.663 -3.492 -15.383 1.00 0.00 C ATOM 941 C ARG A 59 -5.708 -4.746 -14.509 1.00 0.00 C ATOM 942 O ARG A 59 -6.493 -5.643 -14.741 1.00 0.00 O ATOM 943 CB ARG A 59 -5.460 -3.894 -16.845 1.00 0.00 C ATOM 944 CG ARG A 59 -4.122 -4.618 -16.998 1.00 0.00 C ATOM 945 CD ARG A 59 -3.929 -5.016 -18.462 1.00 0.00 C ATOM 946 NE ARG A 59 -3.123 -6.267 -18.534 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.711 -7.410 -18.760 1.00 0.00 C ATOM 948 NH1 ARG A 59 -4.163 -7.687 -19.952 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.848 -8.277 -17.794 1.00 0.00 N ATOM 0 H ARG A 59 -3.704 -2.662 -15.524 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.604 -2.951 -15.281 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.274 -4.541 -17.171 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.481 -3.010 -17.482 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.306 -3.972 -16.674 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.099 -5.503 -16.362 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.897 -5.166 -18.940 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.427 -4.215 -19.005 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.112 -6.230 -18.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.057 -7.010 -20.708 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.622 -8.580 -20.128 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.495 -8.061 -16.861 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.308 -9.170 -17.972 1.00 0.00 H new ATOM 963 N TYR A 60 -4.887 -4.816 -13.496 1.00 0.00 N ATOM 964 CA TYR A 60 -4.917 -6.016 -12.616 1.00 0.00 C ATOM 965 C TYR A 60 -5.625 -5.665 -11.312 1.00 0.00 C ATOM 966 O TYR A 60 -6.197 -6.513 -10.663 1.00 0.00 O ATOM 967 CB TYR A 60 -3.499 -6.517 -12.308 1.00 0.00 C ATOM 968 CG TYR A 60 -2.506 -5.376 -12.300 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.080 -4.813 -13.507 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.990 -4.900 -11.086 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.143 -3.776 -13.506 1.00 0.00 C ATOM 972 CE2 TYR A 60 -1.053 -3.860 -11.086 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.628 -3.298 -12.295 1.00 0.00 C ATOM 974 OH TYR A 60 0.299 -2.277 -12.292 1.00 0.00 O ATOM 0 H TYR A 60 -4.204 -4.102 -13.243 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.453 -6.810 -13.136 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.490 -7.018 -11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.202 -7.256 -13.052 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.476 -5.180 -14.442 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.315 -5.335 -10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.816 -3.343 -14.440 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.657 -3.491 -10.151 1.00 0.00 H new ATOM 0 HH TYR A 60 1.202 -2.655 -12.255 1.00 0.00 H new ATOM 984 N PHE A 61 -5.609 -4.422 -10.924 1.00 0.00 N ATOM 985 CA PHE A 61 -6.294 -4.043 -9.661 1.00 0.00 C ATOM 986 C PHE A 61 -7.798 -3.960 -9.921 1.00 0.00 C ATOM 987 O PHE A 61 -8.235 -3.726 -11.029 1.00 0.00 O ATOM 988 CB PHE A 61 -5.764 -2.693 -9.173 1.00 0.00 C ATOM 989 CG PHE A 61 -4.305 -2.826 -8.795 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.799 -4.052 -8.334 1.00 0.00 C ATOM 991 CD2 PHE A 61 -3.452 -1.721 -8.903 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.454 -4.167 -7.985 1.00 0.00 C ATOM 993 CE2 PHE A 61 -2.107 -1.840 -8.552 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.607 -3.060 -8.092 1.00 0.00 C ATOM 0 H PHE A 61 -5.154 -3.657 -11.423 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.100 -4.791 -8.892 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.881 -1.942 -9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.343 -2.353 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.453 -4.907 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.835 -0.776 -9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.067 -5.111 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.451 -0.986 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.566 -3.148 -7.819 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.591 -4.183 -8.912 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.068 -4.153 -9.110 1.00 0.00 C ATOM 1006 C ILE A 62 -10.764 -3.579 -7.870 1.00 0.00 C ATOM 1007 O ILE A 62 -10.135 -3.250 -6.884 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.566 -5.587 -9.362 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.657 -6.354 -8.037 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.590 -6.322 -10.285 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.120 -6.695 -7.742 1.00 0.00 C ATOM 0 H ILE A 62 -8.283 -4.384 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.303 -3.518 -9.965 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.551 -5.534 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.064 -7.267 -8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.243 -5.753 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.948 -7.337 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.520 -5.793 -11.236 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.606 -6.360 -9.818 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.184 -7.240 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.700 -5.775 -7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -12.519 -7.313 -8.547 1.00 0.00 H new ATOM 1023 N LYS A 63 -12.067 -3.477 -7.913 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.822 -2.949 -6.741 1.00 0.00 C ATOM 1025 C LYS A 63 -13.629 -4.094 -6.124 1.00 0.00 C ATOM 1026 O LYS A 63 -14.391 -4.759 -6.797 1.00 0.00 O ATOM 1027 CB LYS A 63 -13.777 -1.840 -7.194 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.971 -0.617 -7.639 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.565 0.203 -6.412 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.395 1.670 -6.812 1.00 0.00 C ATOM 1031 NZ LYS A 63 -12.191 2.499 -5.592 1.00 0.00 N ATOM 0 H LYS A 63 -12.642 -3.738 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.126 -2.540 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.400 -2.196 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.448 -1.569 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.084 -0.933 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.564 -0.005 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.323 0.113 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.634 -0.182 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.544 1.778 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.275 2.014 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.443 3.487 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.793 2.140 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.194 2.450 -5.302 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.464 -4.338 -4.854 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.217 -5.453 -4.211 1.00 0.00 C ATOM 1047 C VAL A 64 -15.285 -4.889 -3.267 1.00 0.00 C ATOM 1048 O VAL A 64 -14.967 -4.400 -2.201 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.245 -6.318 -3.409 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.538 -7.297 -4.347 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.207 -5.419 -2.731 1.00 0.00 C ATOM 0 H VAL A 64 -12.843 -3.817 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.701 -6.051 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.794 -6.877 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.845 -7.913 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.277 -7.936 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.987 -6.741 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.512 -6.033 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.658 -4.861 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.711 -4.722 -2.062 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.384 -0.454 -0.695 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.302 -1.452 -0.467 1.00 0.00 C ATOM 1220 C PHE A 76 -10.791 -1.977 -1.807 1.00 0.00 C ATOM 1221 O PHE A 76 -11.479 -2.683 -2.518 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.835 -2.621 0.362 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.780 -3.053 1.352 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.444 -3.161 0.946 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.135 -3.346 2.674 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.464 -3.562 1.862 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.155 -3.747 3.589 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.820 -3.855 3.185 1.00 0.00 C ATOM 0 HA PHE A 76 -10.486 -0.969 0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.743 -2.325 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.100 -3.453 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.170 -2.935 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.165 -3.263 2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.434 -3.645 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.430 -3.973 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.065 -4.164 3.892 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.582 -1.636 -2.153 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.007 -2.110 -3.440 1.00 0.00 C ATOM 1240 C TRP A 77 -8.525 -3.553 -3.282 1.00 0.00 C ATOM 1241 O TRP A 77 -8.328 -4.038 -2.186 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.814 -1.230 -3.811 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.279 -0.056 -4.606 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.664 1.132 -4.087 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.409 0.065 -6.051 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -9.020 1.977 -5.122 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.878 1.365 -6.351 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.165 -0.818 -7.119 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.098 1.776 -7.665 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.386 -0.406 -8.444 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.850 0.888 -8.716 1.00 0.00 C ATOM 0 H TRP A 77 -8.964 -1.046 -1.596 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.768 -2.058 -4.219 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.306 -0.891 -2.908 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.090 -1.807 -4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.689 1.380 -3.036 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.347 2.934 -4.993 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.806 -1.817 -6.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.458 2.774 -7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.197 -1.091 -9.258 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.016 1.199 -9.737 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.322 -4.236 -4.372 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.841 -5.642 -4.296 1.00 0.00 C ATOM 1264 C ARG A 78 -7.235 -6.032 -5.639 1.00 0.00 C ATOM 1265 O ARG A 78 -7.856 -5.889 -6.670 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.009 -6.574 -3.989 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.654 -7.466 -2.800 1.00 0.00 C ATOM 1268 CD ARG A 78 -8.883 -8.932 -3.175 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.608 -9.621 -2.071 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.914 -9.634 -2.056 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.565 -10.587 -2.667 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.569 -8.696 -1.428 1.00 0.00 N ATOM 0 H ARG A 78 -8.469 -3.880 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.094 -5.726 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.903 -5.992 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.237 -7.187 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.614 -7.311 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.265 -7.201 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.459 -8.996 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.928 -9.424 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.085 -10.082 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.054 -11.322 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.585 -10.597 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.061 -7.953 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.589 -8.706 -1.416 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.035 -6.533 -5.644 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.418 -6.931 -6.938 1.00 0.00 C ATOM 1288 C ILE A 79 -5.972 -8.299 -7.347 1.00 0.00 C ATOM 1289 O ILE A 79 -6.354 -9.098 -6.517 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.890 -6.960 -6.801 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.423 -8.297 -6.220 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.447 -5.831 -5.869 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.950 -8.182 -5.818 1.00 0.00 C ATOM 0 H ILE A 79 -5.458 -6.684 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.664 -6.207 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.449 -6.832 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.029 -8.563 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.551 -9.092 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.362 -5.847 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.759 -4.873 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.904 -5.967 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.611 -9.131 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.352 -7.935 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.837 -7.398 -5.069 1.00 0.00 H new ATOM 1305 N ASP A 80 -6.048 -8.561 -8.621 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.611 -9.859 -9.084 1.00 0.00 C ATOM 1307 C ASP A 80 -5.797 -11.019 -8.511 1.00 0.00 C ATOM 1308 O ASP A 80 -4.659 -10.849 -8.122 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.584 -9.916 -10.612 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.876 -9.314 -11.167 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.894 -9.433 -10.506 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.825 -8.743 -12.244 1.00 0.00 O ATOM 0 H ASP A 80 -5.744 -7.931 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.641 -9.943 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.722 -9.368 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.478 -10.948 -10.946 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.423 -12.167 -8.470 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.805 -13.394 -7.941 1.00 0.00 C ATOM 1319 C PRO A 81 -4.884 -14.025 -8.989 1.00 0.00 C ATOM 1320 O PRO A 81 -3.761 -14.390 -8.702 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.005 -14.298 -7.648 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.169 -13.787 -8.535 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.809 -12.347 -8.951 1.00 0.00 C ATOM 0 HA PRO A 81 -5.184 -13.220 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.772 -15.338 -7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.274 -14.255 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.296 -14.423 -9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.111 -13.808 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.876 -12.216 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.485 -11.621 -8.499 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.348 -14.159 -10.201 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.496 -14.769 -11.259 1.00 0.00 C ATOM 1333 C ALA A 82 -3.670 -13.682 -11.945 1.00 0.00 C ATOM 1334 O ALA A 82 -2.902 -13.951 -12.847 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.379 -15.476 -12.291 1.00 0.00 C ATOM 0 H ALA A 82 -6.279 -13.873 -10.504 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.825 -15.497 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.751 -15.921 -13.063 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.958 -16.258 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.057 -14.754 -12.746 1.00 0.00 H new ATOM 1341 N SER A 83 -3.798 -12.457 -11.513 1.00 0.00 N ATOM 1342 CA SER A 83 -2.993 -11.373 -12.130 1.00 0.00 C ATOM 1343 C SER A 83 -1.792 -11.102 -11.234 1.00 0.00 C ATOM 1344 O SER A 83 -0.936 -10.316 -11.559 1.00 0.00 O ATOM 1345 CB SER A 83 -3.828 -10.097 -12.253 1.00 0.00 C ATOM 1346 OG SER A 83 -5.120 -10.422 -12.751 1.00 0.00 O ATOM 0 H SER A 83 -4.423 -12.164 -10.762 1.00 0.00 H new ATOM 0 HA SER A 83 -2.670 -11.677 -13.126 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.913 -9.610 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.336 -9.391 -12.922 1.00 0.00 H new ATOM 0 HG SER A 83 -5.581 -9.602 -13.024 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.733 -11.749 -10.098 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.599 -11.527 -9.163 1.00 0.00 C ATOM 1354 C GLU A 84 0.727 -11.866 -9.847 1.00 0.00 C ATOM 1355 O GLU A 84 1.519 -10.997 -10.128 1.00 0.00 O ATOM 1356 CB GLU A 84 -0.780 -12.418 -7.932 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.766 -11.760 -6.968 1.00 0.00 C ATOM 1358 CD GLU A 84 -1.622 -12.390 -5.581 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.823 -13.588 -5.472 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -1.314 -11.663 -4.651 1.00 0.00 O ATOM 0 H GLU A 84 -2.428 -12.425 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.583 -10.479 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.147 -13.400 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.179 -12.574 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.577 -10.688 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.786 -11.886 -7.332 1.00 0.00 H new ATOM 1367 N ALA A 85 0.982 -13.117 -10.107 1.00 0.00 N ATOM 1368 CA ALA A 85 2.274 -13.495 -10.754 1.00 0.00 C ATOM 1369 C ALA A 85 2.651 -12.481 -11.843 1.00 0.00 C ATOM 1370 O ALA A 85 3.811 -12.305 -12.159 1.00 0.00 O ATOM 1371 CB ALA A 85 2.143 -14.887 -11.375 1.00 0.00 C ATOM 0 H ALA A 85 0.355 -13.895 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 85 3.057 -13.499 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.085 -15.165 -11.848 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.900 -15.611 -10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.350 -14.879 -12.123 1.00 0.00 H new ATOM 1377 N LYS A 86 1.690 -11.812 -12.421 1.00 0.00 N ATOM 1378 CA LYS A 86 2.012 -10.818 -13.487 1.00 0.00 C ATOM 1379 C LYS A 86 2.375 -9.469 -12.853 1.00 0.00 C ATOM 1380 O LYS A 86 3.306 -8.808 -13.267 1.00 0.00 O ATOM 1381 CB LYS A 86 0.793 -10.641 -14.395 1.00 0.00 C ATOM 1382 CG LYS A 86 1.177 -9.792 -15.608 1.00 0.00 C ATOM 1383 CD LYS A 86 -0.079 -9.144 -16.198 1.00 0.00 C ATOM 1384 CE LYS A 86 -0.360 -7.826 -15.474 1.00 0.00 C ATOM 1385 NZ LYS A 86 0.381 -6.722 -16.148 1.00 0.00 N ATOM 0 H LYS A 86 0.698 -11.910 -12.203 1.00 0.00 H new ATOM 0 HA LYS A 86 2.860 -11.178 -14.071 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.425 -11.614 -14.721 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.017 -10.162 -13.845 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.892 -9.023 -15.315 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.666 -10.412 -16.359 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.058 -8.964 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.931 -9.816 -16.096 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.430 -7.617 -15.479 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.054 -7.900 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.191 -5.825 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.401 -6.922 -16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.069 -6.648 -17.137 1.00 0.00 H new ATOM 1399 N LEU A 87 1.641 -9.051 -11.862 1.00 0.00 N ATOM 1400 CA LEU A 87 1.941 -7.739 -11.210 1.00 0.00 C ATOM 1401 C LEU A 87 3.148 -7.868 -10.293 1.00 0.00 C ATOM 1402 O LEU A 87 4.124 -7.158 -10.420 1.00 0.00 O ATOM 1403 CB LEU A 87 0.739 -7.226 -10.388 1.00 0.00 C ATOM 1404 CG LEU A 87 -0.079 -8.371 -9.764 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.032 -8.278 -8.241 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.537 -8.247 -10.211 1.00 0.00 C ATOM 0 H LEU A 87 0.846 -9.558 -11.472 1.00 0.00 H new ATOM 0 HA LEU A 87 2.152 -7.023 -12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.098 -6.567 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.092 -6.629 -11.030 1.00 0.00 H new ATOM 0 HG LEU A 87 0.341 -9.324 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.614 -9.092 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.002 -8.352 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.451 -7.324 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.122 -9.055 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.938 -7.289 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.591 -8.309 -11.298 1.00 0.00 H new ATOM 1418 N VAL A 88 3.069 -8.750 -9.357 1.00 0.00 N ATOM 1419 CA VAL A 88 4.177 -8.940 -8.393 1.00 0.00 C ATOM 1420 C VAL A 88 5.512 -9.193 -9.106 1.00 0.00 C ATOM 1421 O VAL A 88 6.563 -8.870 -8.589 1.00 0.00 O ATOM 1422 CB VAL A 88 3.849 -10.153 -7.556 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.696 -9.834 -6.601 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.442 -11.286 -8.492 1.00 0.00 C ATOM 0 H VAL A 88 2.267 -9.364 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 88 4.280 -8.038 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 88 4.718 -10.444 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.466 -10.715 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.984 -9.013 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.816 -9.547 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.201 -12.173 -7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.569 -10.984 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.265 -11.512 -9.170 1.00 0.00 H new ATOM 1434 N GLU A 89 5.496 -9.794 -10.265 1.00 0.00 N ATOM 1435 CA GLU A 89 6.789 -10.079 -10.959 1.00 0.00 C ATOM 1436 C GLU A 89 7.579 -8.780 -11.108 1.00 0.00 C ATOM 1437 O GLU A 89 8.793 -8.771 -11.057 1.00 0.00 O ATOM 1438 CB GLU A 89 6.525 -10.692 -12.338 1.00 0.00 C ATOM 1439 CG GLU A 89 5.686 -9.735 -13.184 1.00 0.00 C ATOM 1440 CD GLU A 89 6.514 -9.227 -14.368 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.661 -9.623 -14.481 1.00 0.00 O ATOM 1442 OE2 GLU A 89 5.983 -8.449 -15.145 1.00 0.00 O ATOM 0 H GLU A 89 4.656 -10.097 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 89 7.366 -10.790 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.470 -10.900 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.006 -11.644 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.792 -10.243 -13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.351 -8.895 -12.575 1.00 0.00 H new ATOM 1449 N GLN A 90 6.902 -7.678 -11.264 1.00 0.00 N ATOM 1450 CA GLN A 90 7.615 -6.379 -11.385 1.00 0.00 C ATOM 1451 C GLN A 90 7.777 -5.793 -9.981 1.00 0.00 C ATOM 1452 O GLN A 90 8.619 -4.952 -9.736 1.00 0.00 O ATOM 1453 CB GLN A 90 6.798 -5.421 -12.253 1.00 0.00 C ATOM 1454 CG GLN A 90 6.614 -6.027 -13.646 1.00 0.00 C ATOM 1455 CD GLN A 90 7.321 -5.150 -14.681 1.00 0.00 C ATOM 1456 OE1 GLN A 90 8.418 -5.455 -15.105 1.00 0.00 O ATOM 1457 NE2 GLN A 90 6.734 -4.065 -15.107 1.00 0.00 N ATOM 0 H GLN A 90 5.885 -7.621 -11.313 1.00 0.00 H new ATOM 0 HA GLN A 90 8.591 -6.525 -11.849 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.827 -5.236 -11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.304 -4.459 -12.327 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.021 -7.038 -13.671 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.553 -6.105 -13.883 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.813 -3.810 -14.750 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.196 -3.472 -15.797 1.00 0.00 H new ATOM 1466 N ALA A 91 6.968 -6.243 -9.059 1.00 0.00 N ATOM 1467 CA ALA A 91 7.055 -5.731 -7.664 1.00 0.00 C ATOM 1468 C ALA A 91 8.475 -5.930 -7.129 1.00 0.00 C ATOM 1469 O ALA A 91 9.046 -5.050 -6.514 1.00 0.00 O ATOM 1470 CB ALA A 91 6.067 -6.489 -6.780 1.00 0.00 C ATOM 0 H ALA A 91 6.247 -6.947 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 91 6.811 -4.669 -7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.131 -6.114 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.055 -6.343 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.309 -7.552 -6.792 1.00 0.00 H new ATOM 1476 N PHE A 92 9.051 -7.079 -7.355 1.00 0.00 N ATOM 1477 CA PHE A 92 10.433 -7.330 -6.856 1.00 0.00 C ATOM 1478 C PHE A 92 11.446 -6.732 -7.834 1.00 0.00 C ATOM 1479 O PHE A 92 12.090 -7.439 -8.585 1.00 0.00 O ATOM 1480 CB PHE A 92 10.667 -8.837 -6.735 1.00 0.00 C ATOM 1481 CG PHE A 92 9.446 -9.489 -6.133 1.00 0.00 C ATOM 1482 CD1 PHE A 92 9.130 -9.280 -4.785 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.628 -10.305 -6.924 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.997 -9.886 -4.228 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.494 -10.911 -6.368 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.180 -10.701 -5.020 1.00 0.00 C ATOM 0 H PHE A 92 8.625 -7.854 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 92 10.555 -6.865 -5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.874 -9.264 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.540 -9.031 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.761 -8.651 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.872 -10.467 -7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.754 -9.725 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.863 -11.540 -6.979 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.306 -11.168 -4.591 1.00 0.00 H new ATOM 1496 N ARG A 93 11.594 -5.436 -7.829 1.00 0.00 N ATOM 1497 CA ARG A 93 12.567 -4.793 -8.756 1.00 0.00 C ATOM 1498 C ARG A 93 12.591 -3.285 -8.505 1.00 0.00 C ATOM 1499 O ARG A 93 11.590 -2.609 -8.629 1.00 0.00 O ATOM 1500 CB ARG A 93 12.150 -5.062 -10.204 1.00 0.00 C ATOM 1501 CG ARG A 93 13.390 -5.063 -11.099 1.00 0.00 C ATOM 1502 CD ARG A 93 13.439 -6.362 -11.905 1.00 0.00 C ATOM 1503 NE ARG A 93 14.035 -6.092 -13.243 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.277 -7.080 -14.062 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.740 -8.251 -13.849 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.055 -6.898 -15.094 1.00 0.00 N ATOM 0 H ARG A 93 11.083 -4.794 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 93 13.560 -5.207 -8.582 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.637 -6.021 -10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.447 -4.299 -10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.366 -4.206 -11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.290 -4.966 -10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.030 -7.109 -11.376 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.435 -6.771 -12.018 1.00 0.00 H new ATOM 0 HE ARG A 93 14.254 -5.135 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.132 -8.394 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.929 -9.023 -14.489 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.475 -5.983 -15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.243 -7.670 -15.733 1.00 0.00 H new ATOM 1520 N LYS A 94 13.728 -2.752 -8.151 1.00 0.00 N ATOM 1521 CA LYS A 94 13.816 -1.287 -7.892 1.00 0.00 C ATOM 1522 C LYS A 94 14.017 -0.547 -9.217 1.00 0.00 C ATOM 1523 O LYS A 94 14.920 -0.843 -9.971 1.00 0.00 O ATOM 1524 CB LYS A 94 15.001 -1.005 -6.967 1.00 0.00 C ATOM 1525 CG LYS A 94 14.881 -1.867 -5.708 1.00 0.00 C ATOM 1526 CD LYS A 94 16.272 -2.113 -5.120 1.00 0.00 C ATOM 1527 CE LYS A 94 17.040 -3.087 -6.016 1.00 0.00 C ATOM 1528 NZ LYS A 94 18.492 -3.028 -5.685 1.00 0.00 N ATOM 0 H LYS A 94 14.600 -3.267 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 94 12.895 -0.944 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.937 -1.222 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.022 0.051 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.247 -1.370 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.404 -2.817 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.816 -1.172 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.186 -2.520 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.665 -4.101 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.885 -2.833 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.014 -3.690 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.845 -2.062 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.632 -3.291 -4.688 1.00 0.00 H new