USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 68 HIS : no HE2:sc= 0.621 K(o=1.4,f=-2.1) USER MOD Set 1.2: A 81 THR OG1 : rot -127:sc= 0.748 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -159:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.913 USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.0212 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.344 X(o=0.34,f=-0.093) USER MOD Single : A 24 TYR OH : rot 70:sc= 0.266 USER MOD Single : A 25 ASN : amide:sc= 0.156 X(o=0.16,f=-0.0094) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= 1.07 (180deg=-0.00452) USER MOD Single : A 39 SER OG : rot -165:sc= 0.221 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0052 (180deg=-0.181) USER MOD Single : A 48 SER OG : rot 84:sc= 1.22 USER MOD Single : A 49 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 60 TYR OH : rot -128:sc= 1.28 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= -1.31 (180deg=-3.62!) USER MOD Single : A 75 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.400 9.536 3.706 1.00 0.00 N ATOM 82 CA PRO A 6 -7.091 9.653 4.358 1.00 0.00 C ATOM 83 C PRO A 6 -6.587 8.319 4.911 1.00 0.00 C ATOM 84 O PRO A 6 -7.369 7.396 5.163 1.00 0.00 O ATOM 85 CB PRO A 6 -7.344 10.648 5.498 1.00 0.00 C ATOM 86 CG PRO A 6 -8.807 10.574 5.756 1.00 0.00 C ATOM 87 CD PRO A 6 -9.445 10.280 4.431 1.00 0.00 C ATOM 0 HA PRO A 6 -6.320 9.975 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.772 10.383 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.044 11.657 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.036 9.794 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.179 11.512 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.353 9.689 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.724 11.195 3.907 1.00 0.00 H new ATOM 95 N ILE A 7 -5.276 8.234 5.119 1.00 0.00 N ATOM 96 CA ILE A 7 -4.646 6.990 5.546 1.00 0.00 C ATOM 97 C ILE A 7 -5.114 6.577 6.942 1.00 0.00 C ATOM 98 O ILE A 7 -5.177 5.388 7.247 1.00 0.00 O ATOM 99 CB ILE A 7 -3.099 7.094 5.514 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.452 5.743 5.834 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.605 8.161 6.476 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.819 4.646 4.860 1.00 0.00 C ATOM 0 H ILE A 7 -4.629 9.013 4.998 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.953 6.221 4.837 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.807 7.383 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.369 5.862 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.746 5.438 6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.517 8.213 6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.026 9.127 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.917 7.910 7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.323 3.720 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.899 4.498 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.500 4.928 3.857 1.00 0.00 H new ATOM 114 N THR A 8 -5.481 7.553 7.768 1.00 0.00 N ATOM 115 CA THR A 8 -5.939 7.280 9.128 1.00 0.00 C ATOM 116 C THR A 8 -7.168 6.363 9.132 1.00 0.00 C ATOM 117 O THR A 8 -7.459 5.709 10.130 1.00 0.00 O ATOM 118 CB THR A 8 -6.260 8.590 9.889 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.567 8.311 11.262 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.427 9.335 9.250 1.00 0.00 C ATOM 0 H THR A 8 -5.470 8.542 7.519 1.00 0.00 H new ATOM 0 HA THR A 8 -5.123 6.770 9.641 1.00 0.00 H new ATOM 0 HB THR A 8 -5.374 9.223 9.835 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.973 7.422 11.332 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.625 10.249 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.177 9.587 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.314 8.702 9.264 1.00 0.00 H new ATOM 128 N GLU A 9 -7.877 6.311 8.010 1.00 0.00 N ATOM 129 CA GLU A 9 -9.049 5.459 7.885 1.00 0.00 C ATOM 130 C GLU A 9 -8.718 4.195 7.099 1.00 0.00 C ATOM 131 O GLU A 9 -9.109 3.086 7.481 1.00 0.00 O ATOM 132 CB GLU A 9 -10.181 6.221 7.195 1.00 0.00 C ATOM 133 CG GLU A 9 -10.688 7.412 7.990 1.00 0.00 C ATOM 134 CD GLU A 9 -11.421 7.002 9.252 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.784 6.445 10.166 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.646 7.231 9.335 1.00 0.00 O ATOM 0 H GLU A 9 -7.658 6.851 7.173 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.370 5.169 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.834 6.566 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.010 5.537 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.846 8.052 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.355 8.005 7.364 1.00 0.00 H new ATOM 143 N VAL A 10 -7.982 4.366 6.009 1.00 0.00 N ATOM 144 CA VAL A 10 -7.680 3.255 5.114 1.00 0.00 C ATOM 145 C VAL A 10 -6.716 2.259 5.754 1.00 0.00 C ATOM 146 O VAL A 10 -6.845 1.058 5.549 1.00 0.00 O ATOM 147 CB VAL A 10 -7.103 3.753 3.770 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.736 2.586 2.864 1.00 0.00 C ATOM 149 CG2 VAL A 10 -8.098 4.669 3.075 1.00 0.00 C ATOM 0 H VAL A 10 -7.584 5.260 5.723 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.623 2.744 4.921 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.193 4.315 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.333 2.967 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.987 1.965 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.625 1.989 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.678 5.012 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.023 4.124 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.308 5.528 3.712 1.00 0.00 H new ATOM 159 N LEU A 11 -5.771 2.762 6.544 1.00 0.00 N ATOM 160 CA LEU A 11 -4.787 1.914 7.215 1.00 0.00 C ATOM 161 C LEU A 11 -5.454 0.804 8.045 1.00 0.00 C ATOM 162 O LEU A 11 -5.229 -0.378 7.781 1.00 0.00 O ATOM 163 CB LEU A 11 -3.859 2.776 8.082 1.00 0.00 C ATOM 164 CG LEU A 11 -3.121 2.039 9.200 1.00 0.00 C ATOM 165 CD1 LEU A 11 -2.214 0.960 8.640 1.00 0.00 C ATOM 166 CD2 LEU A 11 -2.335 3.022 10.048 1.00 0.00 C ATOM 0 H LEU A 11 -5.665 3.758 6.736 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.192 1.416 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.120 3.247 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.449 3.577 8.528 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.861 1.550 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.703 0.453 9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.810 0.238 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.477 1.412 7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.814 2.484 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.608 3.541 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.017 3.748 10.490 1.00 0.00 H new ATOM 178 N PRO A 12 -6.280 1.146 9.058 1.00 0.00 N ATOM 179 CA PRO A 12 -6.963 0.138 9.879 1.00 0.00 C ATOM 180 C PRO A 12 -7.950 -0.702 9.072 1.00 0.00 C ATOM 181 O PRO A 12 -8.227 -1.853 9.415 1.00 0.00 O ATOM 182 CB PRO A 12 -7.698 0.965 10.935 1.00 0.00 C ATOM 183 CG PRO A 12 -7.832 2.318 10.331 1.00 0.00 C ATOM 184 CD PRO A 12 -6.599 2.514 9.505 1.00 0.00 C ATOM 0 HA PRO A 12 -6.260 -0.581 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.673 0.536 11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.138 1.002 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.730 2.386 9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.914 3.085 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.779 3.182 8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.787 2.948 10.088 1.00 0.00 H new ATOM 192 N ARG A 13 -8.480 -0.129 7.997 1.00 0.00 N ATOM 193 CA ARG A 13 -9.407 -0.848 7.136 1.00 0.00 C ATOM 194 C ARG A 13 -8.675 -1.768 6.156 1.00 0.00 C ATOM 195 O ARG A 13 -9.298 -2.612 5.510 1.00 0.00 O ATOM 196 CB ARG A 13 -10.278 0.144 6.373 1.00 0.00 C ATOM 197 CG ARG A 13 -11.296 0.862 7.245 1.00 0.00 C ATOM 198 CD ARG A 13 -11.992 1.973 6.476 1.00 0.00 C ATOM 199 NE ARG A 13 -13.137 2.524 7.202 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.048 3.395 8.209 1.00 0.00 C ATOM 201 NH1 ARG A 13 -11.863 3.756 8.690 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.151 3.895 8.746 1.00 0.00 N ATOM 0 H ARG A 13 -8.284 0.828 7.703 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.035 -1.475 7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.636 0.884 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.803 -0.384 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.036 0.148 7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.799 1.279 8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.278 2.771 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.327 1.589 5.513 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.069 2.221 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.010 3.367 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.807 4.423 9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.064 3.614 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.087 4.561 9.516 1.00 0.00 H new ATOM 216 N ALA A 14 -7.361 -1.616 6.057 1.00 0.00 N ATOM 217 CA ALA A 14 -6.573 -2.379 5.098 1.00 0.00 C ATOM 218 C ALA A 14 -6.174 -3.740 5.655 1.00 0.00 C ATOM 219 O ALA A 14 -6.037 -3.918 6.867 1.00 0.00 O ATOM 220 CB ALA A 14 -5.332 -1.600 4.689 1.00 0.00 C ATOM 0 H ALA A 14 -6.818 -0.970 6.630 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.197 -2.545 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.755 -2.185 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.629 -0.656 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.721 -1.400 5.569 1.00 0.00 H new ATOM 226 N VAL A 15 -5.982 -4.694 4.755 1.00 0.00 N ATOM 227 CA VAL A 15 -5.590 -6.050 5.121 1.00 0.00 C ATOM 228 C VAL A 15 -4.285 -6.447 4.433 1.00 0.00 C ATOM 229 O VAL A 15 -3.806 -7.576 4.569 1.00 0.00 O ATOM 230 CB VAL A 15 -6.692 -7.067 4.754 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.906 -6.884 5.649 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.088 -6.922 3.291 1.00 0.00 C ATOM 0 H VAL A 15 -6.093 -4.551 3.751 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.442 -6.063 6.201 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.296 -8.071 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.672 -7.609 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.617 -7.036 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.301 -5.875 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.866 -7.647 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.464 -5.914 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.218 -7.101 2.659 1.00 0.00 H new ATOM 242 N GLY A 16 -3.718 -5.516 3.681 1.00 0.00 N ATOM 243 CA GLY A 16 -2.458 -5.761 3.012 1.00 0.00 C ATOM 244 C GLY A 16 -1.834 -4.472 2.530 1.00 0.00 C ATOM 245 O GLY A 16 -2.510 -3.448 2.465 1.00 0.00 O ATOM 0 H GLY A 16 -4.112 -4.589 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.774 -6.266 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.617 -6.430 2.166 1.00 0.00 H new ATOM 249 N SER A 17 -0.555 -4.511 2.198 1.00 0.00 N ATOM 250 CA SER A 17 0.138 -3.321 1.737 1.00 0.00 C ATOM 251 C SER A 17 1.336 -3.668 0.857 1.00 0.00 C ATOM 252 O SER A 17 2.043 -4.653 1.096 1.00 0.00 O ATOM 253 CB SER A 17 0.581 -2.474 2.931 1.00 0.00 C ATOM 254 OG SER A 17 1.135 -3.283 3.958 1.00 0.00 O ATOM 0 H SER A 17 0.023 -5.351 2.239 1.00 0.00 H new ATOM 0 HA SER A 17 -0.559 -2.745 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.318 -1.740 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.271 -1.918 3.322 1.00 0.00 H new ATOM 0 HG SER A 17 1.411 -2.716 4.708 1.00 0.00 H new ATOM 260 N LEU A 18 1.537 -2.859 -0.171 1.00 0.00 N ATOM 261 CA LEU A 18 2.675 -2.998 -1.060 1.00 0.00 C ATOM 262 C LEU A 18 3.578 -1.777 -0.951 1.00 0.00 C ATOM 263 O LEU A 18 3.151 -0.658 -1.228 1.00 0.00 O ATOM 264 CB LEU A 18 2.208 -3.162 -2.503 1.00 0.00 C ATOM 265 CG LEU A 18 1.943 -4.601 -2.942 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.347 -4.630 -4.340 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.230 -5.403 -2.909 1.00 0.00 C ATOM 0 H LEU A 18 0.914 -2.088 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 18 3.234 -3.886 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.295 -2.583 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.961 -2.731 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 18 1.229 -5.048 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.165 -5.663 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.406 -4.079 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.042 -4.168 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.029 -6.427 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.957 -4.952 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.630 -5.407 -1.895 1.00 0.00 H new ATOM 279 N THR A 19 4.816 -1.991 -0.545 1.00 0.00 N ATOM 280 CA THR A 19 5.757 -0.896 -0.371 1.00 0.00 C ATOM 281 C THR A 19 6.607 -0.701 -1.626 1.00 0.00 C ATOM 282 O THR A 19 7.338 -1.598 -2.035 1.00 0.00 O ATOM 283 CB THR A 19 6.683 -1.140 0.838 1.00 0.00 C ATOM 284 OG1 THR A 19 5.899 -1.325 2.026 1.00 0.00 O ATOM 285 CG2 THR A 19 7.642 0.026 1.042 1.00 0.00 C ATOM 0 H THR A 19 5.195 -2.913 -0.329 1.00 0.00 H new ATOM 0 HA THR A 19 5.171 0.005 -0.190 1.00 0.00 H new ATOM 0 HB THR A 19 7.267 -2.038 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.494 -1.481 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.282 -0.175 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.259 0.150 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.073 0.939 1.219 1.00 0.00 H new ATOM 293 N PHE A 20 6.479 0.468 -2.236 1.00 0.00 N ATOM 294 CA PHE A 20 7.282 0.845 -3.395 1.00 0.00 C ATOM 295 C PHE A 20 8.213 1.999 -3.025 1.00 0.00 C ATOM 296 O PHE A 20 7.926 2.761 -2.096 1.00 0.00 O ATOM 297 CB PHE A 20 6.375 1.268 -4.562 1.00 0.00 C ATOM 298 CG PHE A 20 5.684 0.141 -5.276 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.937 -0.799 -4.583 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.768 0.036 -6.654 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.292 -1.819 -5.253 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.126 -0.983 -7.327 1.00 0.00 C ATOM 303 CZ PHE A 20 4.388 -1.909 -6.624 1.00 0.00 C ATOM 0 H PHE A 20 5.815 1.185 -1.943 1.00 0.00 H new ATOM 0 HA PHE A 20 7.874 -0.016 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.618 1.955 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.974 1.822 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.859 -0.733 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.344 0.761 -7.209 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.713 -2.546 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.202 -1.054 -8.402 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.884 -2.707 -7.149 1.00 0.00 H new ATOM 313 N ASP A 21 9.328 2.129 -3.733 1.00 0.00 N ATOM 314 CA ASP A 21 10.264 3.219 -3.467 1.00 0.00 C ATOM 315 C ASP A 21 9.903 4.439 -4.308 1.00 0.00 C ATOM 316 O ASP A 21 8.897 4.435 -5.015 1.00 0.00 O ATOM 317 CB ASP A 21 11.715 2.784 -3.732 1.00 0.00 C ATOM 318 CG ASP A 21 12.161 2.994 -5.167 1.00 0.00 C ATOM 319 OD1 ASP A 21 11.617 2.340 -6.070 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.056 3.836 -5.397 1.00 0.00 O ATOM 0 H ASP A 21 9.606 1.502 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 21 10.187 3.485 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.379 3.340 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.821 1.729 -3.478 1.00 0.00 H new ATOM 325 N GLU A 22 10.725 5.479 -4.230 1.00 0.00 N ATOM 326 CA GLU A 22 10.470 6.718 -4.952 1.00 0.00 C ATOM 327 C GLU A 22 10.596 6.528 -6.466 1.00 0.00 C ATOM 328 O GLU A 22 10.068 7.323 -7.245 1.00 0.00 O ATOM 329 CB GLU A 22 11.427 7.806 -4.467 1.00 0.00 C ATOM 330 CG GLU A 22 12.885 7.378 -4.459 1.00 0.00 C ATOM 331 CD GLU A 22 13.810 8.489 -4.015 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.975 8.681 -2.792 1.00 0.00 O ATOM 333 OE2 GLU A 22 14.376 9.178 -4.887 1.00 0.00 O ATOM 0 H GLU A 22 11.578 5.487 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 22 9.444 7.023 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.319 8.683 -5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.140 8.107 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.006 6.522 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.170 7.050 -5.459 1.00 0.00 H new ATOM 340 N ASN A 23 11.297 5.475 -6.875 1.00 0.00 N ATOM 341 CA ASN A 23 11.433 5.137 -8.285 1.00 0.00 C ATOM 342 C ASN A 23 10.386 4.102 -8.681 1.00 0.00 C ATOM 343 O ASN A 23 10.419 3.558 -9.788 1.00 0.00 O ATOM 344 CB ASN A 23 12.837 4.606 -8.566 1.00 0.00 C ATOM 345 CG ASN A 23 13.916 5.643 -8.323 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.287 6.400 -9.222 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.422 5.692 -7.100 1.00 0.00 N ATOM 0 H ASN A 23 11.782 4.838 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 23 11.275 6.037 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.025 3.737 -7.935 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.892 4.266 -9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.146 6.374 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.088 5.048 -6.384 1.00 0.00 H new ATOM 354 N TYR A 24 9.466 3.840 -7.752 1.00 0.00 N ATOM 355 CA TYR A 24 8.312 2.972 -7.982 1.00 0.00 C ATOM 356 C TYR A 24 8.710 1.505 -8.157 1.00 0.00 C ATOM 357 O TYR A 24 8.093 0.773 -8.930 1.00 0.00 O ATOM 358 CB TYR A 24 7.504 3.467 -9.188 1.00 0.00 C ATOM 359 CG TYR A 24 6.965 4.871 -9.008 1.00 0.00 C ATOM 360 CD1 TYR A 24 5.790 5.098 -8.307 1.00 0.00 C ATOM 361 CD2 TYR A 24 7.638 5.967 -9.533 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.300 6.377 -8.133 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.155 7.251 -9.362 1.00 0.00 C ATOM 364 CZ TYR A 24 5.985 7.451 -8.661 1.00 0.00 C ATOM 365 OH TYR A 24 5.498 8.730 -8.486 1.00 0.00 O ATOM 0 H TYR A 24 9.502 4.229 -6.810 1.00 0.00 H new ATOM 0 HA TYR A 24 7.686 3.023 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.135 3.438 -10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.672 2.785 -9.365 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.250 4.261 -7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.554 5.813 -10.084 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.383 6.536 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.691 8.093 -9.775 1.00 0.00 H new ATOM 0 HH TYR A 24 5.594 8.991 -7.546 1.00 0.00 H new ATOM 375 N ASN A 25 9.725 1.075 -7.417 1.00 0.00 N ATOM 376 CA ASN A 25 10.110 -0.335 -7.386 1.00 0.00 C ATOM 377 C ASN A 25 9.503 -1.016 -6.170 1.00 0.00 C ATOM 378 O ASN A 25 9.516 -0.458 -5.070 1.00 0.00 O ATOM 379 CB ASN A 25 11.634 -0.498 -7.328 1.00 0.00 C ATOM 380 CG ASN A 25 12.343 0.022 -8.560 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.573 -0.717 -9.519 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.708 1.292 -8.534 1.00 0.00 N ATOM 0 H ASN A 25 10.298 1.681 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 25 9.739 -0.795 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.015 0.026 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.874 -1.553 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.201 1.697 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.496 1.867 -7.718 1.00 0.00 H new ATOM 389 N LEU A 26 8.954 -2.207 -6.371 1.00 0.00 N ATOM 390 CA LEU A 26 8.459 -3.015 -5.271 1.00 0.00 C ATOM 391 C LEU A 26 9.580 -3.338 -4.286 1.00 0.00 C ATOM 392 O LEU A 26 10.567 -3.988 -4.633 1.00 0.00 O ATOM 393 CB LEU A 26 7.829 -4.306 -5.802 1.00 0.00 C ATOM 394 CG LEU A 26 7.377 -5.295 -4.726 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.449 -4.614 -3.735 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.692 -6.495 -5.362 1.00 0.00 C ATOM 0 H LEU A 26 8.841 -2.634 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 26 7.696 -2.443 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.969 -4.046 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.549 -4.803 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 26 8.257 -5.647 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.137 -5.332 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.972 -3.785 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.571 -4.235 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.377 -7.189 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.820 -6.160 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.388 -6.997 -6.035 1.00 0.00 H new ATOM 408 N LEU A 27 9.420 -2.863 -3.063 1.00 0.00 N ATOM 409 CA LEU A 27 10.384 -3.112 -2.007 1.00 0.00 C ATOM 410 C LEU A 27 9.906 -4.248 -1.111 1.00 0.00 C ATOM 411 O LEU A 27 10.609 -5.238 -0.913 1.00 0.00 O ATOM 412 CB LEU A 27 10.588 -1.852 -1.160 1.00 0.00 C ATOM 413 CG LEU A 27 11.078 -0.617 -1.913 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.198 0.560 -0.958 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.412 -0.894 -2.591 1.00 0.00 C ATOM 0 H LEU A 27 8.622 -2.297 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 27 11.331 -3.391 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.644 -1.607 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.303 -2.080 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 27 10.351 -0.369 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.548 1.437 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.224 0.772 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.908 0.317 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.743 -0.001 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.153 -1.165 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.297 -1.715 -3.299 1.00 0.00 H new ATOM 427 N ASP A 28 8.697 -4.102 -0.583 1.00 0.00 N ATOM 428 CA ASP A 28 8.153 -5.064 0.369 1.00 0.00 C ATOM 429 C ASP A 28 6.706 -5.395 0.048 1.00 0.00 C ATOM 430 O ASP A 28 5.961 -4.553 -0.453 1.00 0.00 O ATOM 431 CB ASP A 28 8.251 -4.511 1.795 1.00 0.00 C ATOM 432 CG ASP A 28 7.634 -5.435 2.832 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.291 -6.424 3.219 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.495 -5.169 3.277 1.00 0.00 O ATOM 0 H ASP A 28 8.073 -3.325 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 28 8.741 -5.979 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.299 -4.343 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.754 -3.542 1.838 1.00 0.00 H new ATOM 439 N THR A 29 6.324 -6.627 0.323 1.00 0.00 N ATOM 440 CA THR A 29 4.958 -7.071 0.143 1.00 0.00 C ATOM 441 C THR A 29 4.425 -7.647 1.454 1.00 0.00 C ATOM 442 O THR A 29 5.016 -8.569 2.015 1.00 0.00 O ATOM 443 CB THR A 29 4.882 -8.133 -0.967 1.00 0.00 C ATOM 444 OG1 THR A 29 5.488 -7.627 -2.162 1.00 0.00 O ATOM 445 CG2 THR A 29 3.444 -8.522 -1.253 1.00 0.00 C ATOM 0 H THR A 29 6.953 -7.347 0.678 1.00 0.00 H new ATOM 0 HA THR A 29 4.346 -6.218 -0.149 1.00 0.00 H new ATOM 0 HB THR A 29 5.417 -9.020 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.439 -8.307 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.420 -9.274 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.991 -8.930 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.886 -7.642 -1.574 1.00 0.00 H new ATOM 453 N SER A 30 3.324 -7.100 1.951 1.00 0.00 N ATOM 454 CA SER A 30 2.772 -7.549 3.220 1.00 0.00 C ATOM 455 C SER A 30 1.252 -7.683 3.139 1.00 0.00 C ATOM 456 O SER A 30 0.600 -7.024 2.325 1.00 0.00 O ATOM 457 CB SER A 30 3.163 -6.570 4.333 1.00 0.00 C ATOM 458 OG SER A 30 2.773 -7.055 5.608 1.00 0.00 O ATOM 0 H SER A 30 2.800 -6.351 1.499 1.00 0.00 H new ATOM 0 HA SER A 30 3.184 -8.532 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.241 -6.410 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.694 -5.603 4.151 1.00 0.00 H new ATOM 0 HG SER A 30 3.037 -6.411 6.298 1.00 0.00 H new ATOM 464 N GLY A 31 0.697 -8.552 3.974 1.00 0.00 N ATOM 465 CA GLY A 31 -0.739 -8.738 4.016 1.00 0.00 C ATOM 466 C GLY A 31 -1.249 -9.549 2.845 1.00 0.00 C ATOM 467 O GLY A 31 -0.511 -10.339 2.258 1.00 0.00 O ATOM 0 H GLY A 31 1.221 -9.135 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.011 -9.237 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.229 -7.764 4.021 1.00 0.00 H new ATOM 471 N VAL A 32 -2.510 -9.336 2.486 1.00 0.00 N ATOM 472 CA VAL A 32 -3.128 -10.042 1.363 1.00 0.00 C ATOM 473 C VAL A 32 -2.402 -9.728 0.053 1.00 0.00 C ATOM 474 O VAL A 32 -2.487 -10.478 -0.918 1.00 0.00 O ATOM 475 CB VAL A 32 -4.622 -9.678 1.228 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.290 -10.504 0.141 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.339 -9.868 2.552 1.00 0.00 C ATOM 0 H VAL A 32 -3.129 -8.677 2.958 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.046 -11.110 1.567 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.687 -8.628 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.342 -10.227 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.798 -10.316 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.210 -11.563 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.391 -9.606 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.256 -10.909 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.886 -9.225 3.307 1.00 0.00 H new ATOM 487 N ALA A 33 -1.651 -8.630 0.048 1.00 0.00 N ATOM 488 CA ALA A 33 -0.900 -8.211 -1.131 1.00 0.00 C ATOM 489 C ALA A 33 0.110 -9.281 -1.560 1.00 0.00 C ATOM 490 O ALA A 33 0.622 -9.254 -2.681 1.00 0.00 O ATOM 491 CB ALA A 33 -0.191 -6.890 -0.854 1.00 0.00 C ATOM 0 H ALA A 33 -1.546 -8.011 0.852 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.604 -8.074 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.367 -6.584 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.928 -6.126 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.496 -7.014 -0.017 1.00 0.00 H new ATOM 497 N LYS A 34 0.383 -10.227 -0.664 1.00 0.00 N ATOM 498 CA LYS A 34 1.343 -11.285 -0.933 1.00 0.00 C ATOM 499 C LYS A 34 0.757 -12.344 -1.867 1.00 0.00 C ATOM 500 O LYS A 34 1.485 -12.980 -2.628 1.00 0.00 O ATOM 501 CB LYS A 34 1.805 -11.919 0.380 1.00 0.00 C ATOM 502 CG LYS A 34 2.524 -10.942 1.297 1.00 0.00 C ATOM 503 CD LYS A 34 2.959 -11.587 2.605 1.00 0.00 C ATOM 504 CE LYS A 34 1.768 -12.083 3.413 1.00 0.00 C ATOM 505 NZ LYS A 34 2.148 -12.432 4.807 1.00 0.00 N ATOM 0 H LYS A 34 -0.051 -10.279 0.257 1.00 0.00 H new ATOM 0 HA LYS A 34 2.204 -10.844 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.940 -12.328 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.469 -12.755 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.399 -10.542 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.867 -10.099 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.628 -12.421 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.524 -10.866 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.995 -11.314 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.337 -12.957 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.308 -12.765 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.867 -13.184 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.535 -11.592 5.282 1.00 0.00 H new ATOM 519 N VAL A 35 -0.557 -12.531 -1.817 1.00 0.00 N ATOM 520 CA VAL A 35 -1.214 -13.480 -2.712 1.00 0.00 C ATOM 521 C VAL A 35 -1.782 -12.768 -3.938 1.00 0.00 C ATOM 522 O VAL A 35 -1.976 -13.380 -4.991 1.00 0.00 O ATOM 523 CB VAL A 35 -2.339 -14.278 -2.009 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.768 -15.136 -0.891 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.421 -13.355 -1.469 1.00 0.00 C ATOM 0 H VAL A 35 -1.183 -12.045 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.448 -14.189 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.796 -14.930 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.574 -15.689 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.043 -15.837 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.277 -14.497 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.195 -13.948 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.984 -12.665 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.860 -12.790 -2.291 1.00 0.00 H new ATOM 535 N ILE A 36 -2.040 -11.474 -3.793 1.00 0.00 N ATOM 536 CA ILE A 36 -2.536 -10.662 -4.892 1.00 0.00 C ATOM 537 C ILE A 36 -1.460 -10.501 -5.965 1.00 0.00 C ATOM 538 O ILE A 36 -0.275 -10.365 -5.653 1.00 0.00 O ATOM 539 CB ILE A 36 -3.005 -9.278 -4.390 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.182 -9.448 -3.425 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.397 -8.373 -5.554 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.624 -8.161 -2.771 1.00 0.00 C ATOM 0 H ILE A 36 -1.912 -10.964 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.393 -11.173 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.176 -8.803 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.025 -9.878 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.904 -10.162 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.723 -7.406 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.538 -8.232 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.211 -8.833 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.461 -8.362 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.796 -7.740 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.934 -7.451 -3.538 1.00 0.00 H new ATOM 554 N GLU A 37 -1.890 -10.538 -7.220 1.00 0.00 N ATOM 555 CA GLU A 37 -0.986 -10.466 -8.361 1.00 0.00 C ATOM 556 C GLU A 37 -0.272 -9.119 -8.433 1.00 0.00 C ATOM 557 O GLU A 37 -0.863 -8.068 -8.175 1.00 0.00 O ATOM 558 CB GLU A 37 -1.766 -10.724 -9.653 1.00 0.00 C ATOM 559 CG GLU A 37 -2.943 -9.783 -9.857 1.00 0.00 C ATOM 560 CD GLU A 37 -3.733 -10.097 -11.110 1.00 0.00 C ATOM 561 OE1 GLU A 37 -3.260 -9.764 -12.216 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.833 -10.679 -10.999 1.00 0.00 O ATOM 0 H GLU A 37 -2.874 -10.619 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.222 -11.233 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.087 -10.631 -10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.131 -11.751 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.604 -9.841 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.578 -8.757 -9.910 1.00 0.00 H new ATOM 569 N LYS A 38 1.005 -9.164 -8.784 1.00 0.00 N ATOM 570 CA LYS A 38 1.804 -7.956 -8.925 1.00 0.00 C ATOM 571 C LYS A 38 1.634 -7.372 -10.318 1.00 0.00 C ATOM 572 O LYS A 38 2.401 -7.673 -11.234 1.00 0.00 O ATOM 573 CB LYS A 38 3.290 -8.227 -8.649 1.00 0.00 C ATOM 574 CG LYS A 38 3.662 -8.269 -7.171 1.00 0.00 C ATOM 575 CD LYS A 38 2.854 -9.306 -6.414 1.00 0.00 C ATOM 576 CE LYS A 38 3.402 -9.546 -5.020 1.00 0.00 C ATOM 577 NZ LYS A 38 2.600 -10.561 -4.287 1.00 0.00 N ATOM 0 H LYS A 38 1.511 -10.028 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 38 1.450 -7.237 -8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.564 -9.178 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.884 -7.455 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.724 -8.492 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.499 -7.287 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.817 -8.978 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.855 -10.243 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.438 -9.878 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.403 -8.610 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.227 -11.126 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.887 -10.082 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.124 -11.186 -4.969 1.00 0.00 H new ATOM 591 N SER A 39 0.600 -6.570 -10.477 1.00 0.00 N ATOM 592 CA SER A 39 0.339 -5.883 -11.730 1.00 0.00 C ATOM 593 C SER A 39 1.209 -4.624 -11.829 1.00 0.00 C ATOM 594 O SER A 39 1.902 -4.279 -10.869 1.00 0.00 O ATOM 595 CB SER A 39 -1.153 -5.546 -11.805 1.00 0.00 C ATOM 596 OG SER A 39 -1.629 -5.064 -10.561 1.00 0.00 O ATOM 0 H SER A 39 -0.082 -6.375 -9.744 1.00 0.00 H new ATOM 0 HA SER A 39 0.595 -6.523 -12.574 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.321 -4.796 -12.578 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.716 -6.434 -12.094 1.00 0.00 H new ATOM 0 HG SER A 39 -2.609 -5.075 -10.559 1.00 0.00 H new ATOM 602 N PRO A 40 1.217 -3.934 -12.991 1.00 0.00 N ATOM 603 CA PRO A 40 1.954 -2.667 -13.167 1.00 0.00 C ATOM 604 C PRO A 40 1.358 -1.522 -12.340 1.00 0.00 C ATOM 605 O PRO A 40 1.105 -0.430 -12.852 1.00 0.00 O ATOM 606 CB PRO A 40 1.810 -2.375 -14.666 1.00 0.00 C ATOM 607 CG PRO A 40 0.579 -3.101 -15.078 1.00 0.00 C ATOM 608 CD PRO A 40 0.540 -4.345 -14.239 1.00 0.00 C ATOM 0 HA PRO A 40 2.988 -2.750 -12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.720 -1.305 -14.854 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.680 -2.724 -15.222 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.309 -2.490 -14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.606 -3.346 -16.140 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.483 -4.673 -14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.057 -5.173 -14.723 1.00 0.00 H new ATOM 616 N ILE A 41 1.174 -1.777 -11.050 1.00 0.00 N ATOM 617 CA ILE A 41 0.577 -0.817 -10.132 1.00 0.00 C ATOM 618 C ILE A 41 1.421 0.449 -10.036 1.00 0.00 C ATOM 619 O ILE A 41 0.903 1.530 -9.766 1.00 0.00 O ATOM 620 CB ILE A 41 0.411 -1.437 -8.725 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.423 -2.716 -8.814 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.233 -0.444 -7.765 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.620 -3.414 -7.487 1.00 0.00 C ATOM 0 H ILE A 41 1.436 -2.659 -10.610 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.405 -0.554 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 41 1.399 -1.685 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.399 -2.473 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.059 -3.405 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.339 -0.904 -6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.395 0.444 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.216 -0.160 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.221 -4.311 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.350 -3.690 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.131 -2.744 -6.796 1.00 0.00 H new ATOM 635 N ALA A 42 2.719 0.311 -10.296 1.00 0.00 N ATOM 636 CA ALA A 42 3.645 1.435 -10.230 1.00 0.00 C ATOM 637 C ALA A 42 3.193 2.562 -11.152 1.00 0.00 C ATOM 638 O ALA A 42 3.365 3.743 -10.846 1.00 0.00 O ATOM 639 CB ALA A 42 5.048 0.981 -10.595 1.00 0.00 C ATOM 0 H ALA A 42 3.154 -0.574 -10.556 1.00 0.00 H new ATOM 0 HA ALA A 42 3.654 1.815 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.730 1.829 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.374 0.209 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.048 0.578 -11.608 1.00 0.00 H new ATOM 645 N GLU A 43 2.588 2.179 -12.270 1.00 0.00 N ATOM 646 CA GLU A 43 2.064 3.133 -13.233 1.00 0.00 C ATOM 647 C GLU A 43 0.896 3.912 -12.634 1.00 0.00 C ATOM 648 O GLU A 43 0.769 5.117 -12.823 1.00 0.00 O ATOM 649 CB GLU A 43 1.616 2.396 -14.496 1.00 0.00 C ATOM 650 CG GLU A 43 0.981 3.295 -15.549 1.00 0.00 C ATOM 651 CD GLU A 43 1.933 4.336 -16.107 1.00 0.00 C ATOM 652 OE1 GLU A 43 2.283 5.288 -15.382 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.314 4.220 -17.288 1.00 0.00 O ATOM 0 H GLU A 43 2.449 1.203 -12.531 1.00 0.00 H new ATOM 0 HA GLU A 43 2.851 3.841 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.478 1.893 -14.935 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.902 1.621 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.610 2.678 -16.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.118 3.799 -15.113 1.00 0.00 H new ATOM 660 N ILE A 44 0.052 3.226 -11.888 1.00 0.00 N ATOM 661 CA ILE A 44 -1.116 3.867 -11.313 1.00 0.00 C ATOM 662 C ILE A 44 -0.720 4.672 -10.075 1.00 0.00 C ATOM 663 O ILE A 44 -1.345 5.686 -9.753 1.00 0.00 O ATOM 664 CB ILE A 44 -2.208 2.837 -10.944 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.359 1.784 -12.051 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.538 3.545 -10.708 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.774 2.352 -13.394 1.00 0.00 C ATOM 0 H ILE A 44 0.150 2.235 -11.667 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.529 4.538 -12.066 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.907 2.330 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.412 1.258 -12.168 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.097 1.046 -11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.300 2.810 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.430 4.259 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.836 4.072 -11.615 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.858 1.544 -14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.737 2.853 -13.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.025 3.068 -13.733 1.00 0.00 H new ATOM 679 N ILE A 45 0.338 4.232 -9.398 1.00 0.00 N ATOM 680 CA ILE A 45 0.839 4.929 -8.217 1.00 0.00 C ATOM 681 C ILE A 45 1.304 6.335 -8.582 1.00 0.00 C ATOM 682 O ILE A 45 0.963 7.304 -7.898 1.00 0.00 O ATOM 683 CB ILE A 45 2.011 4.179 -7.546 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.584 2.780 -7.101 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.528 4.972 -6.353 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.707 1.968 -6.493 1.00 0.00 C ATOM 0 H ILE A 45 0.865 3.395 -9.648 1.00 0.00 H new ATOM 0 HA ILE A 45 0.010 4.976 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 45 2.811 4.075 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.777 2.870 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.181 2.242 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.354 4.433 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.875 5.949 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.725 5.102 -5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.330 0.988 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.506 1.847 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.095 2.484 -5.615 1.00 0.00 H new ATOM 698 N ARG A 46 2.077 6.436 -9.658 1.00 0.00 N ATOM 699 CA ARG A 46 2.591 7.721 -10.115 1.00 0.00 C ATOM 700 C ARG A 46 1.453 8.615 -10.597 1.00 0.00 C ATOM 701 O ARG A 46 1.437 9.818 -10.325 1.00 0.00 O ATOM 702 CB ARG A 46 3.638 7.517 -11.216 1.00 0.00 C ATOM 703 CG ARG A 46 3.165 6.664 -12.377 1.00 0.00 C ATOM 704 CD ARG A 46 4.322 6.097 -13.185 1.00 0.00 C ATOM 705 NE ARG A 46 5.158 7.135 -13.782 1.00 0.00 N ATOM 706 CZ ARG A 46 5.223 7.376 -15.092 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.433 6.721 -15.935 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.068 8.286 -15.558 1.00 0.00 N ATOM 0 H ARG A 46 2.362 5.641 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 46 3.075 8.220 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.942 8.492 -11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.523 7.056 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.554 5.845 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.528 7.262 -13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.936 5.469 -12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.929 5.456 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 46 5.726 7.710 -13.160 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.772 6.029 -15.582 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.487 6.910 -16.936 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.668 8.802 -14.914 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.118 8.470 -16.560 1.00 0.00 H new ATOM 722 N LYS A 47 0.489 8.019 -11.289 1.00 0.00 N ATOM 723 CA LYS A 47 -0.702 8.746 -11.711 1.00 0.00 C ATOM 724 C LYS A 47 -1.422 9.312 -10.494 1.00 0.00 C ATOM 725 O LYS A 47 -1.759 10.494 -10.451 1.00 0.00 O ATOM 726 CB LYS A 47 -1.652 7.843 -12.502 1.00 0.00 C ATOM 727 CG LYS A 47 -1.060 7.304 -13.786 1.00 0.00 C ATOM 728 CD LYS A 47 -2.063 6.460 -14.542 1.00 0.00 C ATOM 729 CE LYS A 47 -1.462 5.929 -15.826 1.00 0.00 C ATOM 730 NZ LYS A 47 -1.135 7.013 -16.790 1.00 0.00 N ATOM 0 H LYS A 47 0.508 7.038 -11.569 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.388 9.562 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.950 7.005 -11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.557 8.403 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.732 8.133 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.177 6.707 -13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.389 5.629 -13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.948 7.055 -14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.557 5.367 -15.595 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.160 5.232 -16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.920 6.598 -17.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.947 7.657 -16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.308 7.544 -16.449 1.00 0.00 H new ATOM 744 N SER A 48 -1.614 8.469 -9.486 1.00 0.00 N ATOM 745 CA SER A 48 -2.293 8.875 -8.270 1.00 0.00 C ATOM 746 C SER A 48 -1.450 9.867 -7.482 1.00 0.00 C ATOM 747 O SER A 48 -1.968 10.623 -6.672 1.00 0.00 O ATOM 748 CB SER A 48 -2.600 7.655 -7.410 1.00 0.00 C ATOM 749 OG SER A 48 -3.312 6.678 -8.147 1.00 0.00 O ATOM 0 H SER A 48 -1.306 7.497 -9.491 1.00 0.00 H new ATOM 0 HA SER A 48 -3.227 9.363 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.670 7.227 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.184 7.957 -6.541 1.00 0.00 H new ATOM 0 HG SER A 48 -2.681 6.131 -8.659 1.00 0.00 H new ATOM 755 N ASN A 49 -0.145 9.857 -7.713 1.00 0.00 N ATOM 756 CA ASN A 49 0.745 10.806 -7.062 1.00 0.00 C ATOM 757 C ASN A 49 0.456 12.214 -7.565 1.00 0.00 C ATOM 758 O ASN A 49 0.573 13.191 -6.828 1.00 0.00 O ATOM 759 CB ASN A 49 2.210 10.441 -7.320 1.00 0.00 C ATOM 760 CG ASN A 49 3.176 11.435 -6.704 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.540 11.314 -5.539 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.614 12.409 -7.483 1.00 0.00 N ATOM 0 H ASN A 49 0.319 9.204 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 49 0.569 10.767 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.410 9.448 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.384 10.389 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.278 13.093 -7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.288 12.477 -8.447 1.00 0.00 H new ATOM 769 N ALA A 50 0.078 12.302 -8.831 1.00 0.00 N ATOM 770 CA ALA A 50 -0.309 13.573 -9.430 1.00 0.00 C ATOM 771 C ALA A 50 -1.759 13.916 -9.089 1.00 0.00 C ATOM 772 O ALA A 50 -2.163 15.077 -9.150 1.00 0.00 O ATOM 773 CB ALA A 50 -0.114 13.531 -10.936 1.00 0.00 C ATOM 0 H ALA A 50 0.030 11.506 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 50 0.331 14.353 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.408 14.488 -11.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.935 13.338 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.729 12.737 -11.361 1.00 0.00 H new ATOM 779 N GLU A 51 -2.531 12.894 -8.734 1.00 0.00 N ATOM 780 CA GLU A 51 -3.939 13.071 -8.387 1.00 0.00 C ATOM 781 C GLU A 51 -4.105 13.574 -6.955 1.00 0.00 C ATOM 782 O GLU A 51 -4.985 14.390 -6.673 1.00 0.00 O ATOM 783 CB GLU A 51 -4.699 11.748 -8.540 1.00 0.00 C ATOM 784 CG GLU A 51 -4.734 11.208 -9.960 1.00 0.00 C ATOM 785 CD GLU A 51 -5.490 12.107 -10.914 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.738 12.062 -10.913 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.840 12.855 -11.676 1.00 0.00 O ATOM 0 H GLU A 51 -2.204 11.929 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.348 13.815 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.240 11.002 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.722 11.888 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.713 11.081 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.196 10.221 -9.956 1.00 0.00 H new ATOM 794 N LEU A 52 -3.262 13.089 -6.051 1.00 0.00 N ATOM 795 CA LEU A 52 -3.442 13.356 -4.630 1.00 0.00 C ATOM 796 C LEU A 52 -2.120 13.522 -3.892 1.00 0.00 C ATOM 797 O LEU A 52 -1.046 13.493 -4.493 1.00 0.00 O ATOM 798 CB LEU A 52 -4.251 12.214 -3.996 1.00 0.00 C ATOM 799 CG LEU A 52 -3.727 10.796 -4.262 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.422 10.517 -3.533 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.766 9.779 -3.863 1.00 0.00 C ATOM 0 H LEU A 52 -2.451 12.512 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.979 14.300 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.284 12.372 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.277 12.276 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.526 10.719 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.092 9.502 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.662 11.225 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.575 10.624 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.386 8.776 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.990 9.885 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.674 9.940 -4.443 1.00 0.00 H new ATOM 813 N GLY A 53 -2.223 13.680 -2.579 1.00 0.00 N ATOM 814 CA GLY A 53 -1.055 13.691 -1.726 1.00 0.00 C ATOM 815 C GLY A 53 -1.106 12.575 -0.697 1.00 0.00 C ATOM 816 O GLY A 53 -0.683 11.453 -0.964 1.00 0.00 O ATOM 0 H GLY A 53 -3.108 13.802 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.157 13.585 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.983 14.653 -1.218 1.00 0.00 H new ATOM 820 N ARG A 54 -1.664 12.874 0.471 1.00 0.00 N ATOM 821 CA ARG A 54 -1.717 11.912 1.571 1.00 0.00 C ATOM 822 C ARG A 54 -3.009 11.091 1.528 1.00 0.00 C ATOM 823 O ARG A 54 -3.361 10.411 2.492 1.00 0.00 O ATOM 824 CB ARG A 54 -1.621 12.655 2.904 1.00 0.00 C ATOM 825 CG ARG A 54 -0.917 11.873 4.005 1.00 0.00 C ATOM 826 CD ARG A 54 0.526 11.576 3.628 1.00 0.00 C ATOM 827 NE ARG A 54 1.323 11.137 4.771 1.00 0.00 N ATOM 828 CZ ARG A 54 2.656 11.205 4.813 1.00 0.00 C ATOM 829 NH1 ARG A 54 3.333 11.633 3.754 1.00 0.00 N ATOM 830 NH2 ARG A 54 3.310 10.830 5.901 1.00 0.00 N ATOM 0 H ARG A 54 -2.088 13.777 0.683 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.876 11.226 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.092 13.595 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.627 12.908 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.944 12.443 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.448 10.939 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.546 10.805 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.977 12.470 3.196 1.00 0.00 H new ATOM 0 HE ARG A 54 0.834 10.758 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.835 11.910 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.351 11.685 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.796 10.487 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.328 10.884 5.928 1.00 0.00 H new ATOM 844 N LEU A 55 -3.713 11.165 0.408 1.00 0.00 N ATOM 845 CA LEU A 55 -4.957 10.424 0.232 1.00 0.00 C ATOM 846 C LEU A 55 -4.676 9.081 -0.438 1.00 0.00 C ATOM 847 O LEU A 55 -3.580 8.857 -0.951 1.00 0.00 O ATOM 848 CB LEU A 55 -5.971 11.221 -0.606 1.00 0.00 C ATOM 849 CG LEU A 55 -6.556 12.480 0.053 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.080 12.167 1.445 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.531 13.605 0.100 1.00 0.00 C ATOM 0 H LEU A 55 -3.444 11.732 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.389 10.256 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.489 11.515 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.795 10.558 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.393 12.818 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.489 13.073 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.862 11.410 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.265 11.793 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.975 14.482 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.663 13.283 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.220 13.857 -0.914 1.00 0.00 H new ATOM 863 N GLY A 56 -5.664 8.194 -0.432 1.00 0.00 N ATOM 864 CA GLY A 56 -5.485 6.881 -1.022 1.00 0.00 C ATOM 865 C GLY A 56 -6.358 6.648 -2.238 1.00 0.00 C ATOM 866 O GLY A 56 -7.554 6.376 -2.114 1.00 0.00 O ATOM 0 H GLY A 56 -6.586 8.361 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.440 6.756 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.706 6.120 -0.273 1.00 0.00 H new ATOM 870 N TYR A 57 -5.753 6.734 -3.411 1.00 0.00 N ATOM 871 CA TYR A 57 -6.464 6.521 -4.665 1.00 0.00 C ATOM 872 C TYR A 57 -6.524 5.032 -4.966 1.00 0.00 C ATOM 873 O TYR A 57 -5.530 4.327 -4.794 1.00 0.00 O ATOM 874 CB TYR A 57 -5.745 7.249 -5.803 1.00 0.00 C ATOM 875 CG TYR A 57 -6.553 7.397 -7.071 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.359 8.509 -7.270 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.494 6.440 -8.076 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.087 8.662 -8.432 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.221 6.584 -9.240 1.00 0.00 C ATOM 880 CZ TYR A 57 -8.016 7.698 -9.413 1.00 0.00 C ATOM 881 OH TYR A 57 -8.740 7.853 -10.573 1.00 0.00 O ATOM 0 H TYR A 57 -4.763 6.952 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.476 6.915 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.456 8.241 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.825 6.712 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.417 9.267 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.869 5.569 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.709 9.533 -8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.168 5.829 -10.011 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.580 7.087 -11.163 1.00 0.00 H new ATOM 891 N SER A 58 -7.678 4.551 -5.394 1.00 0.00 N ATOM 892 CA SER A 58 -7.819 3.158 -5.751 1.00 0.00 C ATOM 893 C SER A 58 -7.050 2.861 -7.033 1.00 0.00 C ATOM 894 O SER A 58 -7.445 3.271 -8.122 1.00 0.00 O ATOM 895 CB SER A 58 -9.302 2.828 -5.902 1.00 0.00 C ATOM 896 OG SER A 58 -10.008 3.933 -6.442 1.00 0.00 O ATOM 0 H SER A 58 -8.527 5.106 -5.501 1.00 0.00 H new ATOM 0 HA SER A 58 -7.400 2.530 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.423 1.961 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.721 2.561 -4.932 1.00 0.00 H new ATOM 0 HG SER A 58 -10.956 3.702 -6.533 1.00 0.00 H new ATOM 902 N VAL A 59 -5.951 2.144 -6.887 1.00 0.00 N ATOM 903 CA VAL A 59 -5.071 1.863 -8.008 1.00 0.00 C ATOM 904 C VAL A 59 -5.336 0.481 -8.578 1.00 0.00 C ATOM 905 O VAL A 59 -5.220 0.259 -9.783 1.00 0.00 O ATOM 906 CB VAL A 59 -3.587 1.981 -7.603 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.262 3.408 -7.207 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.251 1.028 -6.465 1.00 0.00 C ATOM 0 H VAL A 59 -5.645 1.744 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.282 2.608 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.979 1.706 -8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.212 3.477 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.455 4.072 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.886 3.702 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.199 1.133 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.868 1.264 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.445 0.003 -6.780 1.00 0.00 H new ATOM 918 N TYR A 60 -5.706 -0.446 -7.711 1.00 0.00 N ATOM 919 CA TYR A 60 -5.985 -1.803 -8.132 1.00 0.00 C ATOM 920 C TYR A 60 -7.270 -2.301 -7.494 1.00 0.00 C ATOM 921 O TYR A 60 -7.294 -2.629 -6.308 1.00 0.00 O ATOM 922 CB TYR A 60 -4.813 -2.726 -7.767 1.00 0.00 C ATOM 923 CG TYR A 60 -5.052 -4.180 -8.114 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.839 -4.651 -9.402 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.506 -5.075 -7.154 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.069 -5.975 -9.725 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.740 -6.398 -7.469 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.522 -6.842 -8.754 1.00 0.00 C ATOM 929 OH TYR A 60 -5.761 -8.159 -9.072 1.00 0.00 O ATOM 0 H TYR A 60 -5.819 -0.281 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.110 -1.812 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.917 -2.381 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.617 -2.644 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.488 -3.972 -10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.679 -4.730 -6.145 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.895 -6.328 -10.731 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.092 -7.082 -6.711 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.663 -8.408 -8.780 1.00 0.00 H new ATOM 939 N GLU A 61 -8.342 -2.322 -8.262 1.00 0.00 N ATOM 940 CA GLU A 61 -9.581 -2.904 -7.790 1.00 0.00 C ATOM 941 C GLU A 61 -9.730 -4.324 -8.316 1.00 0.00 C ATOM 942 O GLU A 61 -9.772 -4.556 -9.525 1.00 0.00 O ATOM 943 CB GLU A 61 -10.790 -2.058 -8.194 1.00 0.00 C ATOM 944 CG GLU A 61 -12.115 -2.725 -7.857 1.00 0.00 C ATOM 945 CD GLU A 61 -13.310 -1.808 -8.001 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.561 -1.314 -9.119 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.013 -1.595 -6.991 1.00 0.00 O ATOM 0 H GLU A 61 -8.380 -1.945 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.543 -2.929 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.736 -1.092 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.749 -1.862 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.252 -3.590 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.075 -3.097 -6.833 1.00 0.00 H new ATOM 954 N ASP A 62 -9.791 -5.266 -7.395 1.00 0.00 N ATOM 955 CA ASP A 62 -9.993 -6.659 -7.728 1.00 0.00 C ATOM 956 C ASP A 62 -11.436 -7.013 -7.385 1.00 0.00 C ATOM 957 O ASP A 62 -12.228 -6.127 -7.063 1.00 0.00 O ATOM 958 CB ASP A 62 -9.002 -7.531 -6.937 1.00 0.00 C ATOM 959 CG ASP A 62 -8.916 -8.959 -7.441 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.137 -9.217 -8.384 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.632 -9.825 -6.897 1.00 0.00 O ATOM 0 H ASP A 62 -9.702 -5.085 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.815 -6.839 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.012 -7.077 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.297 -7.542 -5.888 1.00 0.00 H new ATOM 966 N ALA A 63 -11.787 -8.280 -7.444 1.00 0.00 N ATOM 967 CA ALA A 63 -13.122 -8.697 -7.066 1.00 0.00 C ATOM 968 C ALA A 63 -13.192 -8.895 -5.559 1.00 0.00 C ATOM 969 O ALA A 63 -14.268 -8.902 -4.962 1.00 0.00 O ATOM 970 CB ALA A 63 -13.517 -9.971 -7.797 1.00 0.00 C ATOM 0 H ALA A 63 -11.172 -9.035 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.828 -7.917 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.523 -10.265 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.495 -9.795 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.816 -10.767 -7.546 1.00 0.00 H new ATOM 976 N GLN A 64 -12.025 -9.039 -4.949 1.00 0.00 N ATOM 977 CA GLN A 64 -11.934 -9.240 -3.514 1.00 0.00 C ATOM 978 C GLN A 64 -11.510 -7.959 -2.799 1.00 0.00 C ATOM 979 O GLN A 64 -12.199 -7.482 -1.896 1.00 0.00 O ATOM 980 CB GLN A 64 -10.934 -10.351 -3.201 1.00 0.00 C ATOM 981 CG GLN A 64 -11.220 -11.660 -3.911 1.00 0.00 C ATOM 982 CD GLN A 64 -10.213 -12.732 -3.555 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.412 -13.505 -2.619 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.114 -12.770 -4.287 1.00 0.00 N ATOM 0 H GLN A 64 -11.125 -9.020 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.923 -9.524 -3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.934 -10.013 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.928 -10.527 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.221 -12.003 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.210 -11.497 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.989 -12.110 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.390 -13.459 -4.085 1.00 0.00 H new ATOM 993 N TYR A 65 -10.379 -7.397 -3.209 1.00 0.00 N ATOM 994 CA TYR A 65 -9.783 -6.280 -2.485 1.00 0.00 C ATOM 995 C TYR A 65 -9.503 -5.099 -3.410 1.00 0.00 C ATOM 996 O TYR A 65 -9.522 -5.237 -4.632 1.00 0.00 O ATOM 997 CB TYR A 65 -8.485 -6.733 -1.803 1.00 0.00 C ATOM 998 CG TYR A 65 -8.665 -7.937 -0.904 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.079 -7.789 0.411 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.442 -9.223 -1.378 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.266 -8.884 1.229 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.626 -10.326 -0.565 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.039 -10.148 0.739 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.230 -11.241 1.552 1.00 0.00 O ATOM 0 H TYR A 65 -9.858 -7.694 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.496 -5.950 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.745 -6.968 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.085 -5.907 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.258 -6.798 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.119 -9.364 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.590 -8.749 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.448 -11.320 -0.948 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.027 -12.060 1.053 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.260 -3.941 -2.811 1.00 0.00 N ATOM 1015 CA ILE A 66 -8.945 -2.729 -3.551 1.00 0.00 C ATOM 1016 C ILE A 66 -7.696 -2.080 -2.977 1.00 0.00 C ATOM 1017 O ILE A 66 -7.633 -1.792 -1.777 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.094 -1.698 -3.498 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.374 -2.283 -4.085 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.703 -0.427 -4.241 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.563 -1.347 -4.006 1.00 0.00 C ATOM 0 H ILE A 66 -9.276 -3.817 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.789 -3.023 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.280 -1.448 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.198 -2.546 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.615 -3.207 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.524 0.289 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.816 0.007 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.489 -0.666 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.437 -1.831 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.766 -1.104 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.343 -0.432 -4.556 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.720 -1.850 -3.831 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.496 -1.203 -3.412 1.00 0.00 C ATOM 1035 C GLY A 67 -5.578 0.303 -3.545 1.00 0.00 C ATOM 1036 O GLY A 67 -6.188 0.817 -4.481 1.00 0.00 O ATOM 0 H GLY A 67 -6.751 -2.102 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.284 -1.465 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.665 -1.575 -4.011 1.00 0.00 H new ATOM 1040 N HIS A 68 -4.974 1.007 -2.605 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.976 2.465 -2.601 1.00 0.00 C ATOM 1042 C HIS A 68 -3.549 2.983 -2.491 1.00 0.00 C ATOM 1043 O HIS A 68 -2.833 2.621 -1.560 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.798 3.014 -1.423 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.191 2.469 -1.312 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.273 3.023 -1.959 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.675 1.420 -0.606 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.363 2.337 -1.656 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.030 1.360 -0.833 1.00 0.00 N ATOM 0 H HIS A 68 -4.469 0.589 -1.824 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.427 2.803 -3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.265 2.799 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.855 4.099 -1.514 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.239 3.835 -2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.102 0.753 0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.359 2.542 -2.021 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.133 3.823 -3.429 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.785 4.375 -3.396 1.00 0.00 C ATOM 1060 C ALA A 69 -1.702 5.555 -2.444 1.00 0.00 C ATOM 1061 O ALA A 69 -2.408 6.551 -2.611 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.344 4.811 -4.781 1.00 0.00 C ATOM 0 H ALA A 69 -3.703 4.135 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.119 3.588 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.335 5.219 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.354 3.953 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.026 5.574 -5.156 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.804 5.453 -1.481 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.567 6.524 -0.532 1.00 0.00 C ATOM 1070 C PHE A 70 0.843 7.058 -0.677 1.00 0.00 C ATOM 1071 O PHE A 70 1.788 6.297 -0.897 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.783 6.040 0.900 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.224 5.894 1.274 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.903 4.711 1.036 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.900 6.943 1.873 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.228 4.578 1.388 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.226 6.816 2.226 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.891 5.634 1.984 1.00 0.00 C ATOM 0 H PHE A 70 -0.221 4.629 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.278 7.322 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.284 5.079 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.308 6.741 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.388 3.884 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.383 7.871 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.748 3.650 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.743 7.642 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.930 5.533 2.260 1.00 0.00 H new ATOM 1088 N LYS A 71 0.977 8.368 -0.587 1.00 0.00 N ATOM 1089 CA LYS A 71 2.285 8.994 -0.563 1.00 0.00 C ATOM 1090 C LYS A 71 2.843 8.936 0.851 1.00 0.00 C ATOM 1091 O LYS A 71 2.259 9.487 1.785 1.00 0.00 O ATOM 1092 CB LYS A 71 2.213 10.443 -1.051 1.00 0.00 C ATOM 1093 CG LYS A 71 2.441 10.622 -2.547 1.00 0.00 C ATOM 1094 CD LYS A 71 1.217 10.250 -3.378 1.00 0.00 C ATOM 1095 CE LYS A 71 1.149 8.758 -3.666 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.109 8.384 -4.365 1.00 0.00 N ATOM 0 H LYS A 71 0.195 9.020 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 71 2.947 8.452 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.235 10.850 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.955 11.031 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.710 11.659 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.286 10.008 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.314 10.558 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.239 10.799 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.004 8.467 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.223 8.204 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.079 7.602 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.819 8.085 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.469 9.204 -4.894 1.00 0.00 H new ATOM 1110 N LYS A 72 3.960 8.250 0.998 1.00 0.00 N ATOM 1111 CA LYS A 72 4.565 8.032 2.304 1.00 0.00 C ATOM 1112 C LYS A 72 5.873 8.805 2.396 1.00 0.00 C ATOM 1113 O LYS A 72 6.234 9.519 1.460 1.00 0.00 O ATOM 1114 CB LYS A 72 4.818 6.537 2.521 1.00 0.00 C ATOM 1115 CG LYS A 72 3.578 5.669 2.357 1.00 0.00 C ATOM 1116 CD LYS A 72 2.603 5.823 3.517 1.00 0.00 C ATOM 1117 CE LYS A 72 3.203 5.320 4.822 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.204 5.286 5.925 1.00 0.00 N ATOM 0 H LYS A 72 4.473 7.829 0.223 1.00 0.00 H new ATOM 0 HA LYS A 72 3.886 8.387 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.579 6.202 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.223 6.389 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.075 5.931 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.878 4.624 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.326 6.872 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.688 5.272 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.609 4.320 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.036 5.962 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.697 5.289 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.588 6.121 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.628 4.424 5.845 1.00 0.00 H new ATOM 1132 N ALA A 73 6.588 8.649 3.508 1.00 0.00 N ATOM 1133 CA ALA A 73 7.842 9.368 3.721 1.00 0.00 C ATOM 1134 C ALA A 73 8.902 8.950 2.707 1.00 0.00 C ATOM 1135 O ALA A 73 9.653 7.998 2.927 1.00 0.00 O ATOM 1136 CB ALA A 73 8.348 9.156 5.138 1.00 0.00 C ATOM 0 H ALA A 73 6.321 8.032 4.275 1.00 0.00 H new ATOM 0 HA ALA A 73 7.643 10.430 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.283 9.700 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.607 9.523 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.518 8.093 5.308 1.00 0.00 H new ATOM 1142 N GLY A 74 8.923 9.647 1.581 1.00 0.00 N ATOM 1143 CA GLY A 74 9.886 9.369 0.533 1.00 0.00 C ATOM 1144 C GLY A 74 9.590 8.078 -0.205 1.00 0.00 C ATOM 1145 O GLY A 74 10.387 7.630 -1.028 1.00 0.00 O ATOM 0 H GLY A 74 8.281 10.411 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.893 10.196 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.884 9.314 0.967 1.00 0.00 H new ATOM 1149 N HIS A 75 8.438 7.482 0.075 1.00 0.00 N ATOM 1150 CA HIS A 75 8.079 6.197 -0.515 1.00 0.00 C ATOM 1151 C HIS A 75 6.626 6.190 -0.960 1.00 0.00 C ATOM 1152 O HIS A 75 5.879 7.127 -0.689 1.00 0.00 O ATOM 1153 CB HIS A 75 8.317 5.045 0.473 1.00 0.00 C ATOM 1154 CG HIS A 75 9.752 4.636 0.604 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.259 4.011 1.720 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.785 4.748 -0.261 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.541 3.762 1.539 1.00 0.00 C ATOM 1158 NE2 HIS A 75 11.887 4.199 0.343 1.00 0.00 N ATOM 0 H HIS A 75 7.736 7.867 0.707 1.00 0.00 H new ATOM 0 HA HIS A 75 8.719 6.051 -1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.944 5.339 1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.732 4.182 0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.749 5.189 -1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.197 3.282 2.250 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.820 4.138 -0.065 1.00 0.00 H new ATOM 1167 N PHE A 76 6.238 5.129 -1.646 1.00 0.00 N ATOM 1168 CA PHE A 76 4.877 4.979 -2.129 1.00 0.00 C ATOM 1169 C PHE A 76 4.336 3.626 -1.709 1.00 0.00 C ATOM 1170 O PHE A 76 4.862 2.598 -2.108 1.00 0.00 O ATOM 1171 CB PHE A 76 4.840 5.100 -3.651 1.00 0.00 C ATOM 1172 CG PHE A 76 5.305 6.431 -4.167 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.476 7.537 -4.107 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.568 6.574 -4.717 1.00 0.00 C ATOM 1175 CE1 PHE A 76 4.898 8.760 -4.583 1.00 0.00 C ATOM 1176 CE2 PHE A 76 6.995 7.796 -5.197 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.159 8.892 -5.130 1.00 0.00 C ATOM 0 H PHE A 76 6.854 4.351 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 76 4.259 5.767 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.462 4.316 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.821 4.924 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.487 7.441 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.226 5.720 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.242 9.616 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.982 7.894 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.490 9.850 -5.504 1.00 0.00 H new ATOM 1187 N ILE A 77 3.294 3.613 -0.904 1.00 0.00 N ATOM 1188 CA ILE A 77 2.761 2.356 -0.408 1.00 0.00 C ATOM 1189 C ILE A 77 1.299 2.202 -0.796 1.00 0.00 C ATOM 1190 O ILE A 77 0.514 3.144 -0.696 1.00 0.00 O ATOM 1191 CB ILE A 77 2.927 2.231 1.123 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.410 2.326 1.494 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.333 0.921 1.627 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.686 2.166 2.974 1.00 0.00 C ATOM 0 H ILE A 77 2.802 4.446 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 77 3.334 1.553 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 77 2.389 3.050 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.960 1.560 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.795 3.291 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.462 0.855 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.271 0.886 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.841 0.083 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.758 2.246 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.166 2.947 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.334 1.190 3.306 1.00 0.00 H new ATOM 1206 N VAL A 78 0.953 1.013 -1.260 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.405 0.710 -1.673 1.00 0.00 C ATOM 1208 C VAL A 78 -1.102 -0.134 -0.617 1.00 0.00 C ATOM 1209 O VAL A 78 -0.733 -1.285 -0.387 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.426 -0.039 -3.024 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.852 -0.357 -3.444 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.277 0.777 -4.096 1.00 0.00 C ATOM 0 H VAL A 78 1.604 0.234 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.933 1.656 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 78 0.109 -0.980 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.841 -0.884 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.323 -0.985 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.416 0.570 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.253 0.234 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.229 1.735 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.313 0.948 -3.802 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.092 0.450 0.032 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.842 -0.237 1.066 1.00 0.00 C ATOM 1224 C TYR A 79 -4.037 -0.963 0.459 1.00 0.00 C ATOM 1225 O TYR A 79 -4.906 -0.344 -0.158 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.308 0.763 2.127 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.187 1.315 2.987 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.255 2.205 2.467 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -2.062 0.943 4.319 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.233 2.709 3.247 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -1.043 1.442 5.108 1.00 0.00 C ATOM 1232 CZ TYR A 79 -0.130 2.325 4.567 1.00 0.00 C ATOM 1233 OH TYR A 79 0.887 2.827 5.351 1.00 0.00 O ATOM 0 H TYR A 79 -2.397 1.408 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.194 -0.975 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.815 1.592 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.042 0.279 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.331 2.508 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.774 0.252 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.482 3.400 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.961 1.143 6.142 1.00 0.00 H new ATOM 0 HH TYR A 79 0.816 2.457 6.256 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.066 -2.276 0.628 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.128 -3.101 0.079 1.00 0.00 C ATOM 1245 C PHE A 80 -6.223 -3.329 1.108 1.00 0.00 C ATOM 1246 O PHE A 80 -5.981 -3.886 2.179 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.567 -4.438 -0.395 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.758 -4.338 -1.654 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.407 -4.045 -1.604 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.354 -4.536 -2.889 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.664 -3.950 -2.763 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.616 -4.442 -4.052 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.269 -4.149 -3.989 1.00 0.00 C ATOM 0 H PHE A 80 -3.358 -2.796 1.147 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.561 -2.576 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.945 -4.862 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.392 -5.132 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.929 -3.889 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.408 -4.766 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.610 -3.720 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.092 -4.597 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.689 -4.075 -4.897 1.00 0.00 H new ATOM 1263 N THR A 81 -7.420 -2.894 0.773 1.00 0.00 N ATOM 1264 CA THR A 81 -8.568 -3.037 1.650 1.00 0.00 C ATOM 1265 C THR A 81 -9.551 -4.051 1.068 1.00 0.00 C ATOM 1266 O THR A 81 -9.593 -4.232 -0.147 1.00 0.00 O ATOM 1267 CB THR A 81 -9.285 -1.687 1.825 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.670 -1.173 0.539 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.385 -0.679 2.523 1.00 0.00 C ATOM 0 H THR A 81 -7.626 -2.432 -0.113 1.00 0.00 H new ATOM 0 HA THR A 81 -8.213 -3.385 2.620 1.00 0.00 H new ATOM 0 HB THR A 81 -10.170 -1.847 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.337 -0.257 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.916 0.267 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.109 -1.058 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.485 -0.522 1.929 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.354 -4.719 1.911 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.380 -5.666 1.449 1.00 0.00 C ATOM 1279 C PRO A 82 -12.577 -4.954 0.817 1.00 0.00 C ATOM 1280 O PRO A 82 -13.720 -5.164 1.221 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.799 -6.381 2.736 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.535 -5.392 3.817 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.323 -4.615 3.383 1.00 0.00 C ATOM 0 HA PRO A 82 -11.006 -6.336 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.851 -6.666 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.225 -7.296 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.391 -4.732 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.357 -5.893 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.373 -3.577 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.407 -5.037 3.796 1.00 0.00 H new