USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -3.37! C(o=-4.2!,f=-4.4!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 9 SER OG : rot 160:sc= -1.64 USER MOD Single : A 19 THR OG1 : rot -55:sc= 0.3 USER MOD Single : A 26 HIS : no HE2:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 80:sc= -0.806 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 91:sc= 0.881 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 76:sc= -3.49! USER MOD Single : A 92 SER OG : rot -166:sc= -2.45 USER MOD Single : A 93 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.4) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.508 17.021 -4.751 1.00 0.00 N ATOM 67 CA LEU A 8 3.900 15.969 -3.953 1.00 0.00 C ATOM 68 C LEU A 8 4.961 14.924 -3.602 1.00 0.00 C ATOM 69 O LEU A 8 5.521 14.281 -4.488 1.00 0.00 O ATOM 70 CB LEU A 8 2.680 15.389 -4.671 1.00 0.00 C ATOM 71 CG LEU A 8 1.947 14.260 -3.943 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.236 14.784 -2.694 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.988 13.532 -4.886 1.00 0.00 C ATOM 0 HA LEU A 8 3.525 16.373 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.972 16.197 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.999 15.019 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 8 2.686 13.531 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.723 13.962 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.968 15.220 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.509 15.544 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.480 12.735 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.250 14.237 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.549 13.105 -5.717 1.00 0.00 H new ATOM 85 N SER A 9 5.205 14.787 -2.306 1.00 0.00 N ATOM 86 CA SER A 9 6.189 13.832 -1.827 1.00 0.00 C ATOM 87 C SER A 9 5.547 12.451 -1.677 1.00 0.00 C ATOM 88 O SER A 9 4.350 12.344 -1.416 1.00 0.00 O ATOM 89 CB SER A 9 6.793 14.284 -0.496 1.00 0.00 C ATOM 90 OG SER A 9 5.871 14.148 0.582 1.00 0.00 O ATOM 0 H SER A 9 4.738 15.322 -1.574 1.00 0.00 H new ATOM 0 HA SER A 9 6.994 13.774 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.687 13.696 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.107 15.325 -0.575 1.00 0.00 H new ATOM 0 HG SER A 9 6.360 14.132 1.431 1.00 0.00 H new ATOM 96 N PRO A 10 6.394 11.401 -1.853 1.00 0.00 N ATOM 97 CA PRO A 10 5.922 10.032 -1.740 1.00 0.00 C ATOM 98 C PRO A 10 5.696 9.649 -0.276 1.00 0.00 C ATOM 99 O PRO A 10 6.130 10.359 0.629 1.00 0.00 O ATOM 100 CB PRO A 10 6.992 9.190 -2.416 1.00 0.00 C ATOM 101 CG PRO A 10 8.236 10.061 -2.469 1.00 0.00 C ATOM 102 CD PRO A 10 7.818 11.490 -2.163 1.00 0.00 C ATOM 0 HA PRO A 10 4.954 9.880 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.180 8.274 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.680 8.893 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.975 9.716 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.702 10.002 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.382 11.896 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.998 12.146 -3.015 1.00 0.00 H new ATOM 110 N PRO A 11 4.999 8.497 -0.085 1.00 0.00 N ATOM 111 CA PRO A 11 4.710 8.011 1.254 1.00 0.00 C ATOM 112 C PRO A 11 5.958 7.403 1.898 1.00 0.00 C ATOM 113 O PRO A 11 6.997 7.279 1.251 1.00 0.00 O ATOM 114 CB PRO A 11 3.585 7.004 1.073 1.00 0.00 C ATOM 115 CG PRO A 11 3.602 6.621 -0.398 1.00 0.00 C ATOM 116 CD PRO A 11 4.469 7.630 -1.133 1.00 0.00 C ATOM 0 HA PRO A 11 4.408 8.807 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.738 6.130 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.625 7.437 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.998 5.613 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.590 6.620 -0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.271 7.137 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.887 8.197 -1.859 1.00 0.00 H new ATOM 124 N ARG A 12 5.815 7.041 3.164 1.00 0.00 N ATOM 125 CA ARG A 12 6.917 6.450 3.903 1.00 0.00 C ATOM 126 C ARG A 12 6.386 5.537 5.010 1.00 0.00 C ATOM 127 O ARG A 12 5.177 5.354 5.141 1.00 0.00 O ATOM 128 CB ARG A 12 7.806 7.529 4.524 1.00 0.00 C ATOM 129 CG ARG A 12 7.474 8.909 3.953 1.00 0.00 C ATOM 130 CD ARG A 12 8.207 10.012 4.720 1.00 0.00 C ATOM 131 NE ARG A 12 7.658 10.125 6.090 1.00 0.00 N ATOM 132 CZ ARG A 12 8.122 9.441 7.144 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.145 8.589 6.992 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.562 9.608 8.350 1.00 0.00 N ATOM 0 H ARG A 12 4.952 7.146 3.697 1.00 0.00 H new ATOM 0 HA ARG A 12 7.511 5.866 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.672 7.537 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.854 7.296 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.752 8.947 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.399 9.079 4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.273 9.789 4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.101 10.962 4.197 1.00 0.00 H new ATOM 0 HE ARG A 12 6.877 10.764 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.570 8.461 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.498 8.068 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.783 10.256 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.915 9.087 9.153 1.00 0.00 H new ATOM 148 N GLY A 13 7.316 4.989 5.778 1.00 0.00 N ATOM 149 CA GLY A 13 6.956 4.099 6.869 1.00 0.00 C ATOM 150 C GLY A 13 5.887 3.097 6.430 1.00 0.00 C ATOM 151 O GLY A 13 4.954 2.810 7.179 1.00 0.00 O ATOM 0 H GLY A 13 8.318 5.144 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.841 3.564 7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.588 4.683 7.713 1.00 0.00 H new ATOM 155 N LEU A 14 6.058 2.591 5.217 1.00 0.00 N ATOM 156 CA LEU A 14 5.119 1.627 4.669 1.00 0.00 C ATOM 157 C LEU A 14 5.549 0.216 5.076 1.00 0.00 C ATOM 158 O LEU A 14 6.664 -0.208 4.776 1.00 0.00 O ATOM 159 CB LEU A 14 4.979 1.815 3.157 1.00 0.00 C ATOM 160 CG LEU A 14 4.080 0.809 2.436 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.640 0.896 2.948 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.161 0.990 0.919 1.00 0.00 C ATOM 0 H LEU A 14 6.833 2.831 4.599 1.00 0.00 H new ATOM 0 HA LEU A 14 4.123 1.789 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.592 2.817 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.973 1.768 2.712 1.00 0.00 H new ATOM 0 HG LEU A 14 4.442 -0.195 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.021 0.171 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.620 0.680 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.252 1.899 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.513 0.263 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.839 1.998 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.189 0.839 0.589 1.00 0.00 H new ATOM 174 N VAL A 15 4.641 -0.473 5.752 1.00 0.00 N ATOM 175 CA VAL A 15 4.912 -1.827 6.203 1.00 0.00 C ATOM 176 C VAL A 15 3.639 -2.667 6.074 1.00 0.00 C ATOM 177 O VAL A 15 2.556 -2.128 5.853 1.00 0.00 O ATOM 178 CB VAL A 15 5.470 -1.803 7.627 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.946 -1.398 7.630 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.646 -0.877 8.523 1.00 0.00 C ATOM 0 H VAL A 15 3.717 -0.118 5.998 1.00 0.00 H new ATOM 0 HA VAL A 15 5.674 -2.292 5.578 1.00 0.00 H new ATOM 0 HB VAL A 15 5.398 -2.812 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.319 -1.389 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.521 -2.113 7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.051 -0.403 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.064 -0.878 9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.671 0.136 8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.615 -1.228 8.558 1.00 0.00 H new ATOM 190 N ALA A 16 3.813 -3.972 6.218 1.00 0.00 N ATOM 191 CA ALA A 16 2.692 -4.892 6.120 1.00 0.00 C ATOM 192 C ALA A 16 2.749 -5.884 7.283 1.00 0.00 C ATOM 193 O ALA A 16 3.659 -6.708 7.357 1.00 0.00 O ATOM 194 CB ALA A 16 2.720 -5.589 4.758 1.00 0.00 C ATOM 0 H ALA A 16 4.713 -4.415 6.402 1.00 0.00 H new ATOM 0 HA ALA A 16 1.747 -4.354 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.879 -6.279 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.648 -4.843 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.653 -6.142 4.651 1.00 0.00 H new ATOM 200 N VAL A 17 1.765 -5.772 8.164 1.00 0.00 N ATOM 201 CA VAL A 17 1.692 -6.648 9.320 1.00 0.00 C ATOM 202 C VAL A 17 0.621 -7.714 9.080 1.00 0.00 C ATOM 203 O VAL A 17 -0.569 -7.405 9.038 1.00 0.00 O ATOM 204 CB VAL A 17 1.443 -5.826 10.586 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.320 -4.810 10.368 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.138 -6.734 11.779 1.00 0.00 C ATOM 0 H VAL A 17 1.012 -5.087 8.100 1.00 0.00 H new ATOM 0 HA VAL A 17 2.640 -7.166 9.466 1.00 0.00 H new ATOM 0 HB VAL A 17 2.355 -5.273 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.163 -4.239 11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.594 -4.132 9.560 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.599 -5.334 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.965 -6.124 12.666 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.248 -7.327 11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.983 -7.399 11.955 1.00 0.00 H new ATOM 216 N ARG A 18 1.081 -8.947 8.927 1.00 0.00 N ATOM 217 CA ARG A 18 0.177 -10.060 8.692 1.00 0.00 C ATOM 218 C ARG A 18 -0.677 -10.322 9.934 1.00 0.00 C ATOM 219 O ARG A 18 -0.146 -10.526 11.025 1.00 0.00 O ATOM 220 CB ARG A 18 0.950 -11.331 8.336 1.00 0.00 C ATOM 221 CG ARG A 18 0.209 -12.143 7.272 1.00 0.00 C ATOM 222 CD ARG A 18 -0.501 -13.347 7.896 1.00 0.00 C ATOM 223 NE ARG A 18 0.484 -14.220 8.573 1.00 0.00 N ATOM 224 CZ ARG A 18 0.729 -14.195 9.890 1.00 0.00 C ATOM 225 NH1 ARG A 18 0.064 -13.341 10.680 1.00 0.00 N ATOM 226 NH2 ARG A 18 1.641 -15.024 10.417 1.00 0.00 N ATOM 0 H ARG A 18 2.069 -9.200 8.961 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.467 -9.793 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.943 -11.067 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.090 -11.938 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.519 -11.508 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.914 -12.485 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.250 -13.007 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.028 -13.909 7.125 1.00 0.00 H new ATOM 0 HE ARG A 18 1.009 -14.882 8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.629 -12.709 10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.251 -13.323 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.148 -15.673 9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.828 -15.006 11.420 1.00 0.00 H new ATOM 240 N THR A 19 -1.985 -10.307 9.727 1.00 0.00 N ATOM 241 CA THR A 19 -2.918 -10.541 10.816 1.00 0.00 C ATOM 242 C THR A 19 -3.913 -11.641 10.441 1.00 0.00 C ATOM 243 O THR A 19 -3.884 -12.153 9.323 1.00 0.00 O ATOM 244 CB THR A 19 -3.587 -9.208 11.160 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.813 -9.237 10.434 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.837 -8.009 10.576 1.00 0.00 C ATOM 0 H THR A 19 -2.421 -10.136 8.821 1.00 0.00 H new ATOM 0 HA THR A 19 -2.403 -10.903 11.706 1.00 0.00 H new ATOM 0 HB THR A 19 -3.652 -9.104 12.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.627 -9.389 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.353 -7.089 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.822 -7.987 10.972 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.801 -8.096 9.490 1.00 0.00 H new ATOM 254 N PRO A 20 -4.792 -11.980 11.421 1.00 0.00 N ATOM 255 CA PRO A 20 -5.794 -13.009 11.205 1.00 0.00 C ATOM 256 C PRO A 20 -6.929 -12.493 10.318 1.00 0.00 C ATOM 257 O PRO A 20 -7.423 -13.214 9.453 1.00 0.00 O ATOM 258 CB PRO A 20 -6.260 -13.403 12.597 1.00 0.00 C ATOM 259 CG PRO A 20 -5.847 -12.263 13.513 1.00 0.00 C ATOM 260 CD PRO A 20 -4.856 -11.394 12.757 1.00 0.00 C ATOM 0 HA PRO A 20 -5.400 -13.874 10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.340 -13.551 12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.803 -14.341 12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.717 -11.679 13.811 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.396 -12.651 14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.188 -10.357 12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.878 -11.398 13.238 1.00 0.00 H new ATOM 268 N ARG A 21 -7.308 -11.247 10.563 1.00 0.00 N ATOM 269 CA ARG A 21 -8.375 -10.626 9.798 1.00 0.00 C ATOM 270 C ARG A 21 -7.885 -10.274 8.392 1.00 0.00 C ATOM 271 O ARG A 21 -8.673 -9.871 7.538 1.00 0.00 O ATOM 272 CB ARG A 21 -8.880 -9.356 10.487 1.00 0.00 C ATOM 273 CG ARG A 21 -9.180 -9.617 11.964 1.00 0.00 C ATOM 274 CD ARG A 21 -10.389 -8.804 12.430 1.00 0.00 C ATOM 275 NE ARG A 21 -11.600 -9.655 12.434 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.806 -9.244 12.849 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.970 -7.992 13.296 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.848 -10.086 12.817 1.00 0.00 N ATOM 0 H ARG A 21 -6.895 -10.651 11.281 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.195 -11.341 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.133 -8.568 10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.780 -9.000 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.370 -10.679 12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.309 -9.359 12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.209 -8.409 13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.538 -7.948 11.771 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.511 -10.615 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.177 -7.351 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.888 -7.679 13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.723 -11.039 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.766 -9.773 13.133 1.00 0.00 H new ATOM 292 N GLY A 22 -6.585 -10.439 8.195 1.00 0.00 N ATOM 293 CA GLY A 22 -5.980 -10.144 6.907 1.00 0.00 C ATOM 294 C GLY A 22 -4.581 -9.549 7.082 1.00 0.00 C ATOM 295 O GLY A 22 -3.798 -10.026 7.902 1.00 0.00 O ATOM 0 H GLY A 22 -5.934 -10.773 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.920 -11.055 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.610 -9.445 6.357 1.00 0.00 H new ATOM 299 N VAL A 23 -4.309 -8.517 6.297 1.00 0.00 N ATOM 300 CA VAL A 23 -3.018 -7.853 6.355 1.00 0.00 C ATOM 301 C VAL A 23 -3.231 -6.348 6.536 1.00 0.00 C ATOM 302 O VAL A 23 -3.972 -5.727 5.776 1.00 0.00 O ATOM 303 CB VAL A 23 -2.197 -8.195 5.110 1.00 0.00 C ATOM 304 CG1 VAL A 23 -1.087 -7.166 4.886 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.623 -9.610 5.203 1.00 0.00 C ATOM 0 H VAL A 23 -4.961 -8.124 5.617 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.445 -8.206 7.213 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.864 -8.161 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.518 -7.432 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.528 -6.178 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.423 -7.154 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.044 -9.827 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.977 -9.684 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.438 -10.328 5.292 1.00 0.00 H new ATOM 315 N LEU A 24 -2.568 -5.807 7.548 1.00 0.00 N ATOM 316 CA LEU A 24 -2.675 -4.387 7.838 1.00 0.00 C ATOM 317 C LEU A 24 -1.401 -3.678 7.374 1.00 0.00 C ATOM 318 O LEU A 24 -0.305 -4.004 7.826 1.00 0.00 O ATOM 319 CB LEU A 24 -2.998 -4.166 9.317 1.00 0.00 C ATOM 320 CG LEU A 24 -4.042 -3.090 9.622 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.076 -2.768 11.118 1.00 0.00 C ATOM 322 CD2 LEU A 24 -3.806 -1.840 8.772 1.00 0.00 C ATOM 0 H LEU A 24 -1.955 -6.326 8.177 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.504 -3.946 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.344 -5.110 9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.075 -3.906 9.835 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.024 -3.481 9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.826 -2.000 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.328 -3.668 11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.098 -2.406 11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.562 -1.091 9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.816 -1.436 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.872 -2.101 7.716 1.00 0.00 H new ATOM 334 N LEU A 25 -1.589 -2.721 6.477 1.00 0.00 N ATOM 335 CA LEU A 25 -0.468 -1.964 5.946 1.00 0.00 C ATOM 336 C LEU A 25 -0.391 -0.610 6.656 1.00 0.00 C ATOM 337 O LEU A 25 -1.377 0.124 6.708 1.00 0.00 O ATOM 338 CB LEU A 25 -0.568 -1.854 4.423 1.00 0.00 C ATOM 339 CG LEU A 25 -0.754 -3.171 3.667 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.503 -2.947 2.352 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.588 -3.873 3.450 1.00 0.00 C ATOM 0 H LEU A 25 -2.500 -2.453 6.105 1.00 0.00 H new ATOM 0 HA LEU A 25 0.470 -2.483 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.403 -1.197 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.336 -1.370 4.053 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.368 -3.832 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.622 -3.899 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.485 -2.522 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.937 -2.260 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.427 -4.806 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.247 -3.227 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.047 -4.086 4.415 1.00 0.00 H new ATOM 353 N HIS A 26 0.789 -0.322 7.185 1.00 0.00 N ATOM 354 CA HIS A 26 1.007 0.930 7.890 1.00 0.00 C ATOM 355 C HIS A 26 1.994 1.796 7.104 1.00 0.00 C ATOM 356 O HIS A 26 3.153 1.421 6.932 1.00 0.00 O ATOM 357 CB HIS A 26 1.459 0.672 9.329 1.00 0.00 C ATOM 358 CG HIS A 26 0.794 -0.519 9.977 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.344 -1.189 11.056 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.380 -1.151 9.688 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.529 -2.178 11.393 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.538 -2.154 10.543 1.00 0.00 N ATOM 0 H HIS A 26 1.604 -0.934 7.140 1.00 0.00 H new ATOM 0 HA HIS A 26 0.069 1.481 7.959 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.539 0.522 9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.255 1.560 9.928 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.226 -0.960 11.514 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.065 -0.881 8.898 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.682 -2.880 12.199 1.00 0.00 H new ATOM 370 N TRP A 27 1.499 2.937 6.650 1.00 0.00 N ATOM 371 CA TRP A 27 2.323 3.859 5.887 1.00 0.00 C ATOM 372 C TRP A 27 2.290 5.217 6.591 1.00 0.00 C ATOM 373 O TRP A 27 1.602 5.381 7.598 1.00 0.00 O ATOM 374 CB TRP A 27 1.861 3.930 4.430 1.00 0.00 C ATOM 375 CG TRP A 27 0.457 4.511 4.249 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.093 5.800 4.234 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.763 3.765 4.057 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.267 5.940 4.048 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.804 4.663 3.937 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.981 2.378 3.988 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.134 4.273 3.739 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.315 2.004 3.791 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.375 2.895 3.667 1.00 0.00 C ATOM 0 H TRP A 27 0.537 3.245 6.796 1.00 0.00 H new ATOM 0 HA TRP A 27 3.356 3.512 5.849 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.569 4.535 3.864 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.886 2.928 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.778 6.626 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.783 6.819 4.001 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.182 1.658 4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.931 4.996 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.537 0.949 3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.379 2.527 3.516 1.00 0.00 H new ATOM 394 N ASP A 28 3.041 6.155 6.034 1.00 0.00 N ATOM 395 CA ASP A 28 3.106 7.494 6.596 1.00 0.00 C ATOM 396 C ASP A 28 2.719 8.513 5.523 1.00 0.00 C ATOM 397 O ASP A 28 2.984 8.304 4.340 1.00 0.00 O ATOM 398 CB ASP A 28 4.522 7.823 7.072 1.00 0.00 C ATOM 399 CG ASP A 28 4.716 7.801 8.590 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.992 8.563 9.266 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.584 7.021 9.039 1.00 0.00 O ATOM 0 H ASP A 28 3.610 6.015 5.199 1.00 0.00 H new ATOM 0 HA ASP A 28 2.421 7.537 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.215 7.112 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.794 8.811 6.700 1.00 0.00 H new ATOM 406 N PRO A 29 2.082 9.622 5.986 1.00 0.00 N ATOM 407 CA PRO A 29 1.656 10.673 5.078 1.00 0.00 C ATOM 408 C PRO A 29 2.848 11.511 4.612 1.00 0.00 C ATOM 409 O PRO A 29 3.825 11.668 5.342 1.00 0.00 O ATOM 410 CB PRO A 29 0.634 11.480 5.863 1.00 0.00 C ATOM 411 CG PRO A 29 0.867 11.137 7.326 1.00 0.00 C ATOM 412 CD PRO A 29 1.751 9.902 7.380 1.00 0.00 C ATOM 0 HA PRO A 29 1.217 10.283 4.160 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.761 12.548 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.381 11.226 5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.344 11.970 7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.081 10.950 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.649 10.083 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.230 9.062 7.840 1.00 0.00 H new ATOM 420 N PRO A 30 2.726 12.041 3.365 1.00 0.00 N ATOM 421 CA PRO A 30 3.781 12.859 2.792 1.00 0.00 C ATOM 422 C PRO A 30 3.797 14.253 3.421 1.00 0.00 C ATOM 423 O PRO A 30 2.743 14.832 3.684 1.00 0.00 O ATOM 424 CB PRO A 30 3.494 12.883 1.300 1.00 0.00 C ATOM 425 CG PRO A 30 2.039 12.471 1.149 1.00 0.00 C ATOM 426 CD PRO A 30 1.583 11.876 2.471 1.00 0.00 C ATOM 0 HA PRO A 30 4.776 12.458 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.664 13.877 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.151 12.198 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.424 13.332 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.930 11.743 0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.702 12.391 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.315 10.825 2.361 1.00 0.00 H new ATOM 434 N GLU A 31 5.003 14.753 3.645 1.00 0.00 N ATOM 435 CA GLU A 31 5.170 16.069 4.238 1.00 0.00 C ATOM 436 C GLU A 31 4.999 17.156 3.175 1.00 0.00 C ATOM 437 O GLU A 31 4.279 18.130 3.388 1.00 0.00 O ATOM 438 CB GLU A 31 6.528 16.190 4.932 1.00 0.00 C ATOM 439 CG GLU A 31 6.717 17.586 5.529 1.00 0.00 C ATOM 440 CD GLU A 31 6.901 17.513 7.046 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.069 17.377 7.470 1.00 0.00 O ATOM 442 OE2 GLU A 31 5.869 17.596 7.747 1.00 0.00 O ATOM 0 H GLU A 31 5.875 14.270 3.426 1.00 0.00 H new ATOM 0 HA GLU A 31 4.398 16.205 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.606 15.440 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.325 15.985 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.585 18.064 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.852 18.206 5.293 1.00 0.00 H new ATOM 449 N LEU A 32 5.673 16.953 2.052 1.00 0.00 N ATOM 450 CA LEU A 32 5.604 17.903 0.955 1.00 0.00 C ATOM 451 C LEU A 32 4.370 17.603 0.103 1.00 0.00 C ATOM 452 O LEU A 32 4.283 16.546 -0.521 1.00 0.00 O ATOM 453 CB LEU A 32 6.913 17.903 0.164 1.00 0.00 C ATOM 454 CG LEU A 32 7.852 19.083 0.420 1.00 0.00 C ATOM 455 CD1 LEU A 32 8.871 19.229 -0.712 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.062 20.373 0.649 1.00 0.00 C ATOM 0 H LEU A 32 6.270 16.144 1.879 1.00 0.00 H new ATOM 0 HA LEU A 32 5.489 18.918 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.450 16.982 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.672 17.880 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 32 8.412 18.881 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.526 20.075 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.466 18.319 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.348 19.397 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.754 21.196 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.459 20.592 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.410 20.252 1.514 1.00 0.00 H new ATOM 468 N VAL A 33 3.445 18.552 0.103 1.00 0.00 N ATOM 469 CA VAL A 33 2.219 18.403 -0.663 1.00 0.00 C ATOM 470 C VAL A 33 1.957 19.687 -1.453 1.00 0.00 C ATOM 471 O VAL A 33 2.239 20.784 -0.973 1.00 0.00 O ATOM 472 CB VAL A 33 1.064 18.026 0.266 1.00 0.00 C ATOM 473 CG1 VAL A 33 -0.002 17.224 -0.482 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.572 17.257 1.488 1.00 0.00 C ATOM 0 H VAL A 33 3.520 19.427 0.621 1.00 0.00 H new ATOM 0 HA VAL A 33 2.316 17.592 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 33 0.603 18.949 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.812 16.969 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.396 17.821 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.441 16.310 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.731 17.001 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.070 16.344 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.277 17.878 2.041 1.00 0.00 H new ATOM 484 N PRO A 34 1.405 19.503 -2.682 1.00 0.00 N ATOM 485 CA PRO A 34 1.101 20.634 -3.542 1.00 0.00 C ATOM 486 C PRO A 34 -0.146 21.374 -3.055 1.00 0.00 C ATOM 487 O PRO A 34 -0.400 22.506 -3.464 1.00 0.00 O ATOM 488 CB PRO A 34 0.933 20.038 -4.931 1.00 0.00 C ATOM 489 CG PRO A 34 0.690 18.552 -4.720 1.00 0.00 C ATOM 490 CD PRO A 34 1.057 18.219 -3.283 1.00 0.00 C ATOM 0 HA PRO A 34 1.888 21.388 -3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.097 20.500 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.822 20.206 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.354 18.304 -4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.292 17.965 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.224 17.750 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.894 17.522 -3.239 1.00 0.00 H new ATOM 498 N LYS A 35 -0.892 20.705 -2.188 1.00 0.00 N ATOM 499 CA LYS A 35 -2.106 21.285 -1.641 1.00 0.00 C ATOM 500 C LYS A 35 -2.811 20.248 -0.763 1.00 0.00 C ATOM 501 O LYS A 35 -2.576 20.188 0.442 1.00 0.00 O ATOM 502 CB LYS A 35 -2.986 21.842 -2.762 1.00 0.00 C ATOM 503 CG LYS A 35 -3.068 23.368 -2.687 1.00 0.00 C ATOM 504 CD LYS A 35 -4.080 23.913 -3.698 1.00 0.00 C ATOM 505 CE LYS A 35 -5.501 23.859 -3.134 1.00 0.00 C ATOM 506 NZ LYS A 35 -6.458 23.431 -4.180 1.00 0.00 N ATOM 0 H LYS A 35 -0.679 19.766 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.868 22.135 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.582 21.543 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.987 21.416 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.355 23.671 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.086 23.799 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.825 24.941 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.028 23.332 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.539 23.167 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.785 24.840 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.418 23.400 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.434 24.107 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.195 22.486 -4.525 1.00 0.00 H new ATOM 520 N ARG A 36 -3.661 19.458 -1.403 1.00 0.00 N ATOM 521 CA ARG A 36 -4.402 18.428 -0.695 1.00 0.00 C ATOM 522 C ARG A 36 -4.221 17.075 -1.387 1.00 0.00 C ATOM 523 O ARG A 36 -4.250 16.992 -2.614 1.00 0.00 O ATOM 524 CB ARG A 36 -5.892 18.765 -0.632 1.00 0.00 C ATOM 525 CG ARG A 36 -6.720 17.530 -0.270 1.00 0.00 C ATOM 526 CD ARG A 36 -6.532 17.158 1.202 1.00 0.00 C ATOM 527 NE ARG A 36 -7.759 16.513 1.722 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.099 16.479 3.017 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.306 17.052 3.933 1.00 0.00 N ATOM 530 NH2 ARG A 36 -9.231 15.871 3.397 1.00 0.00 N ATOM 0 H ARG A 36 -3.853 19.511 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.010 18.377 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.060 19.549 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.220 19.158 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.774 17.723 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.425 16.692 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.683 16.483 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.305 18.051 1.785 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.385 16.066 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.444 17.514 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.565 17.026 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.834 15.434 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.490 15.845 4.383 1.00 0.00 H new ATOM 544 N LEU A 37 -4.039 16.048 -0.570 1.00 0.00 N ATOM 545 CA LEU A 37 -3.853 14.703 -1.088 1.00 0.00 C ATOM 546 C LEU A 37 -5.175 14.200 -1.672 1.00 0.00 C ATOM 547 O LEU A 37 -6.220 14.300 -1.030 1.00 0.00 O ATOM 548 CB LEU A 37 -3.270 13.789 -0.009 1.00 0.00 C ATOM 549 CG LEU A 37 -2.165 12.834 -0.464 1.00 0.00 C ATOM 550 CD1 LEU A 37 -0.870 13.085 0.311 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.622 11.377 -0.361 1.00 0.00 C ATOM 0 H LEU A 37 -4.016 16.120 0.447 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.125 14.704 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.876 14.413 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.081 13.198 0.416 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.954 13.031 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.101 12.393 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.538 14.109 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.048 12.932 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.818 10.719 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.877 11.148 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.497 11.225 -0.993 1.00 0.00 H new ATOM 563 N ASP A 38 -5.086 13.669 -2.883 1.00 0.00 N ATOM 564 CA ASP A 38 -6.261 13.150 -3.561 1.00 0.00 C ATOM 565 C ASP A 38 -6.479 11.692 -3.150 1.00 0.00 C ATOM 566 O ASP A 38 -7.605 11.198 -3.176 1.00 0.00 O ATOM 567 CB ASP A 38 -6.085 13.191 -5.080 1.00 0.00 C ATOM 568 CG ASP A 38 -7.340 12.852 -5.886 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.957 11.813 -5.566 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.654 13.640 -6.805 1.00 0.00 O ATOM 0 H ASP A 38 -4.218 13.587 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.113 13.770 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.747 14.187 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.294 12.494 -5.358 1.00 0.00 H new ATOM 575 N GLY A 39 -5.384 11.045 -2.779 1.00 0.00 N ATOM 576 CA GLY A 39 -5.441 9.654 -2.363 1.00 0.00 C ATOM 577 C GLY A 39 -4.265 8.861 -2.937 1.00 0.00 C ATOM 578 O GLY A 39 -3.689 9.247 -3.953 1.00 0.00 O ATOM 0 H GLY A 39 -4.452 11.459 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.427 9.595 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.380 9.210 -2.694 1.00 0.00 H new ATOM 582 N TYR A 40 -3.944 7.768 -2.261 1.00 0.00 N ATOM 583 CA TYR A 40 -2.846 6.918 -2.690 1.00 0.00 C ATOM 584 C TYR A 40 -3.362 5.719 -3.489 1.00 0.00 C ATOM 585 O TYR A 40 -4.569 5.555 -3.659 1.00 0.00 O ATOM 586 CB TYR A 40 -2.178 6.414 -1.410 1.00 0.00 C ATOM 587 CG TYR A 40 -1.855 7.517 -0.400 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.841 7.994 0.439 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.578 8.035 -0.329 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.538 9.032 1.389 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.274 9.073 0.622 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.269 9.521 1.434 1.00 0.00 C ATOM 593 OH TYR A 40 -0.983 10.501 2.331 1.00 0.00 O ATOM 0 H TYR A 40 -4.425 7.451 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.159 7.472 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.831 5.681 -0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.256 5.896 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.840 7.588 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.193 7.662 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.301 9.414 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.722 9.486 0.689 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.846 10.104 3.217 1.00 0.00 H new ATOM 603 N VAL A 41 -2.422 4.912 -3.957 1.00 0.00 N ATOM 604 CA VAL A 41 -2.766 3.733 -4.733 1.00 0.00 C ATOM 605 C VAL A 41 -1.964 2.536 -4.218 1.00 0.00 C ATOM 606 O VAL A 41 -0.746 2.484 -4.382 1.00 0.00 O ATOM 607 CB VAL A 41 -2.544 4.004 -6.223 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.265 4.811 -6.449 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.517 2.698 -7.019 1.00 0.00 C ATOM 0 H VAL A 41 -1.422 5.051 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.822 3.492 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.383 4.599 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.131 4.990 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.340 5.765 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.411 4.254 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.358 2.918 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.707 2.066 -6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.467 2.177 -6.896 1.00 0.00 H new ATOM 619 N LEU A 42 -2.679 1.604 -3.605 1.00 0.00 N ATOM 620 CA LEU A 42 -2.049 0.412 -3.065 1.00 0.00 C ATOM 621 C LEU A 42 -1.808 -0.590 -4.196 1.00 0.00 C ATOM 622 O LEU A 42 -2.750 -1.017 -4.863 1.00 0.00 O ATOM 623 CB LEU A 42 -2.876 -0.154 -1.909 1.00 0.00 C ATOM 624 CG LEU A 42 -2.238 -1.303 -1.126 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.805 -0.957 -0.716 1.00 0.00 C ATOM 626 CD2 LEU A 42 -3.099 -1.694 0.076 1.00 0.00 C ATOM 0 H LEU A 42 -3.689 1.651 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.075 0.655 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.093 0.656 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.831 -0.498 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.186 -2.173 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.374 -1.790 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.207 -0.767 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.811 -0.067 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.622 -2.513 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.207 -0.837 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.083 -2.011 -0.269 1.00 0.00 H new ATOM 638 N GLU A 43 -0.542 -0.935 -4.378 1.00 0.00 N ATOM 639 CA GLU A 43 -0.166 -1.878 -5.417 1.00 0.00 C ATOM 640 C GLU A 43 0.624 -3.043 -4.816 1.00 0.00 C ATOM 641 O GLU A 43 1.755 -2.865 -4.367 1.00 0.00 O ATOM 642 CB GLU A 43 0.634 -1.186 -6.522 1.00 0.00 C ATOM 643 CG GLU A 43 -0.255 -0.866 -7.725 1.00 0.00 C ATOM 644 CD GLU A 43 0.095 0.500 -8.318 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.573 1.352 -7.538 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.123 0.662 -9.538 1.00 0.00 O ATOM 0 H GLU A 43 0.236 -0.578 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.076 -2.275 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.074 -0.267 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.458 -1.827 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.136 -1.638 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.302 -0.877 -7.421 1.00 0.00 H new ATOM 653 N GLY A 44 -0.004 -4.210 -4.827 1.00 0.00 N ATOM 654 CA GLY A 44 0.626 -5.403 -4.289 1.00 0.00 C ATOM 655 C GLY A 44 0.928 -6.413 -5.399 1.00 0.00 C ATOM 656 O GLY A 44 0.596 -6.181 -6.560 1.00 0.00 O ATOM 0 H GLY A 44 -0.942 -4.354 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.550 -5.132 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.027 -5.859 -3.545 1.00 0.00 H new ATOM 660 N ARG A 45 1.552 -7.512 -5.002 1.00 0.00 N ATOM 661 CA ARG A 45 1.902 -8.557 -5.948 1.00 0.00 C ATOM 662 C ARG A 45 2.579 -9.723 -5.225 1.00 0.00 C ATOM 663 O ARG A 45 3.193 -9.535 -4.176 1.00 0.00 O ATOM 664 CB ARG A 45 2.839 -8.026 -7.034 1.00 0.00 C ATOM 665 CG ARG A 45 4.195 -7.632 -6.444 1.00 0.00 C ATOM 666 CD ARG A 45 5.237 -7.437 -7.547 1.00 0.00 C ATOM 667 NE ARG A 45 6.578 -7.252 -6.948 1.00 0.00 N ATOM 668 CZ ARG A 45 7.675 -6.929 -7.648 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.596 -6.754 -8.974 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.850 -6.781 -7.021 1.00 0.00 N ATOM 0 H ARG A 45 1.824 -7.701 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 45 0.980 -8.902 -6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.980 -8.787 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.385 -7.162 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.092 -6.712 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.533 -8.404 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.242 -8.301 -8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.978 -6.570 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 45 6.673 -7.378 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.701 -6.866 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.430 -6.508 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.910 -6.914 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.685 -6.535 -7.553 1.00 0.00 H new ATOM 684 N GLN A 46 2.444 -10.902 -5.815 1.00 0.00 N ATOM 685 CA GLN A 46 3.036 -12.098 -5.240 1.00 0.00 C ATOM 686 C GLN A 46 4.479 -12.260 -5.720 1.00 0.00 C ATOM 687 O GLN A 46 4.977 -11.439 -6.489 1.00 0.00 O ATOM 688 CB GLN A 46 2.204 -13.337 -5.577 1.00 0.00 C ATOM 689 CG GLN A 46 0.954 -13.414 -4.698 1.00 0.00 C ATOM 690 CD GLN A 46 -0.310 -13.544 -5.551 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.820 -12.581 -6.101 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.784 -14.784 -5.630 1.00 0.00 N ATOM 0 H GLN A 46 1.934 -11.054 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 46 3.045 -11.990 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.913 -13.310 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.807 -14.234 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.031 -14.267 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.887 -12.521 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.308 -15.544 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.624 -14.975 -6.176 1.00 0.00 H new ATOM 736 N GLY A 50 2.911 -9.746 -10.984 1.00 0.00 N ATOM 737 CA GLY A 50 2.531 -8.479 -11.587 1.00 0.00 C ATOM 738 C GLY A 50 1.922 -7.537 -10.547 1.00 0.00 C ATOM 739 O GLY A 50 1.142 -7.965 -9.698 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.405 -8.011 -12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.813 -8.654 -12.388 1.00 0.00 H new ATOM 743 N TRP A 51 2.302 -6.272 -10.647 1.00 0.00 N ATOM 744 CA TRP A 51 1.803 -5.266 -9.725 1.00 0.00 C ATOM 745 C TRP A 51 0.299 -5.111 -9.962 1.00 0.00 C ATOM 746 O TRP A 51 -0.120 -4.610 -11.004 1.00 0.00 O ATOM 747 CB TRP A 51 2.570 -3.951 -9.880 1.00 0.00 C ATOM 748 CG TRP A 51 3.945 -3.951 -9.209 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.148 -3.849 -9.792 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.213 -4.061 -7.795 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.166 -3.886 -8.862 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.579 -4.019 -7.609 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.329 -4.193 -6.710 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.184 -4.103 -6.349 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.949 -4.274 -5.457 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.323 -4.234 -5.253 1.00 0.00 C ATOM 0 H TRP A 51 2.950 -5.921 -11.352 1.00 0.00 H new ATOM 0 HA TRP A 51 1.963 -5.577 -8.693 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.695 -3.738 -10.942 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.972 -3.142 -9.461 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.301 -3.750 -10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.165 -3.827 -9.058 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.257 -4.229 -6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.257 -4.069 -6.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.315 -4.375 -4.588 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.725 -4.304 -4.253 1.00 0.00 H new ATOM 767 N GLU A 52 -0.471 -5.552 -8.978 1.00 0.00 N ATOM 768 CA GLU A 52 -1.919 -5.469 -9.067 1.00 0.00 C ATOM 769 C GLU A 52 -2.434 -4.283 -8.249 1.00 0.00 C ATOM 770 O GLU A 52 -2.068 -4.120 -7.086 1.00 0.00 O ATOM 771 CB GLU A 52 -2.572 -6.775 -8.609 1.00 0.00 C ATOM 772 CG GLU A 52 -2.550 -6.894 -7.084 1.00 0.00 C ATOM 773 CD GLU A 52 -3.033 -8.274 -6.635 1.00 0.00 C ATOM 774 OE1 GLU A 52 -4.212 -8.581 -6.914 1.00 0.00 O ATOM 775 OE2 GLU A 52 -2.212 -8.991 -6.022 1.00 0.00 O ATOM 0 H GLU A 52 -0.120 -5.968 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.191 -5.311 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.601 -6.816 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.048 -7.622 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.538 -6.722 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.184 -6.123 -6.646 1.00 0.00 H new ATOM 782 N VAL A 53 -3.275 -3.484 -8.890 1.00 0.00 N ATOM 783 CA VAL A 53 -3.844 -2.318 -8.236 1.00 0.00 C ATOM 784 C VAL A 53 -4.913 -2.768 -7.239 1.00 0.00 C ATOM 785 O VAL A 53 -6.042 -3.067 -7.626 1.00 0.00 O ATOM 786 CB VAL A 53 -4.379 -1.339 -9.284 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.347 -0.336 -8.655 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.232 -0.621 -9.999 1.00 0.00 C ATOM 0 H VAL A 53 -3.576 -3.621 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.078 -1.785 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.931 -1.914 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.712 0.347 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.189 -0.870 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.831 0.230 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.639 0.069 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.641 -0.065 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.598 -1.354 -10.497 1.00 0.00 H new ATOM 798 N LEU A 54 -4.520 -2.802 -5.974 1.00 0.00 N ATOM 799 CA LEU A 54 -5.430 -3.211 -4.918 1.00 0.00 C ATOM 800 C LEU A 54 -6.523 -2.152 -4.754 1.00 0.00 C ATOM 801 O LEU A 54 -7.709 -2.477 -4.730 1.00 0.00 O ATOM 802 CB LEU A 54 -4.660 -3.504 -3.629 1.00 0.00 C ATOM 803 CG LEU A 54 -3.513 -4.510 -3.747 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.857 -4.756 -2.387 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.990 -5.811 -4.397 1.00 0.00 C ATOM 0 H LEU A 54 -3.583 -2.553 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.926 -4.144 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.256 -2.566 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.365 -3.873 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.751 -4.084 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.045 -5.475 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.460 -3.818 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.598 -5.151 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.156 -6.509 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.781 -6.252 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.374 -5.600 -5.395 1.00 0.00 H new ATOM 817 N ASP A 55 -6.083 -0.907 -4.645 1.00 0.00 N ATOM 818 CA ASP A 55 -7.009 0.202 -4.484 1.00 0.00 C ATOM 819 C ASP A 55 -6.283 1.514 -4.785 1.00 0.00 C ATOM 820 O ASP A 55 -5.485 1.987 -3.977 1.00 0.00 O ATOM 821 CB ASP A 55 -7.539 0.273 -3.050 1.00 0.00 C ATOM 822 CG ASP A 55 -9.052 0.465 -2.929 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.778 -0.445 -3.385 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.448 1.518 -2.384 1.00 0.00 O ATOM 0 H ASP A 55 -5.098 -0.641 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.842 0.048 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.262 -0.644 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.041 1.095 -2.535 1.00 0.00 H new ATOM 829 N PRO A 56 -6.593 2.082 -5.982 1.00 0.00 N ATOM 830 CA PRO A 56 -5.980 3.330 -6.400 1.00 0.00 C ATOM 831 C PRO A 56 -6.580 4.517 -5.643 1.00 0.00 C ATOM 832 O PRO A 56 -5.974 5.585 -5.574 1.00 0.00 O ATOM 833 CB PRO A 56 -6.216 3.402 -7.900 1.00 0.00 C ATOM 834 CG PRO A 56 -7.348 2.430 -8.190 1.00 0.00 C ATOM 835 CD PRO A 56 -7.534 1.551 -6.965 1.00 0.00 C ATOM 0 HA PRO A 56 -4.914 3.370 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.482 4.414 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.316 3.129 -8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.267 2.971 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.114 1.822 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.559 1.596 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.323 0.506 -7.192 1.00 0.00 H new ATOM 843 N ALA A 57 -7.764 4.289 -5.093 1.00 0.00 N ATOM 844 CA ALA A 57 -8.453 5.326 -4.344 1.00 0.00 C ATOM 845 C ALA A 57 -8.350 5.021 -2.848 1.00 0.00 C ATOM 846 O ALA A 57 -9.118 4.218 -2.320 1.00 0.00 O ATOM 847 CB ALA A 57 -9.903 5.423 -4.821 1.00 0.00 C ATOM 0 H ALA A 57 -8.263 3.402 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.988 6.297 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.420 6.201 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.921 5.670 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.403 4.468 -4.662 1.00 0.00 H new ATOM 853 N VAL A 58 -7.395 5.678 -2.206 1.00 0.00 N ATOM 854 CA VAL A 58 -7.183 5.488 -0.782 1.00 0.00 C ATOM 855 C VAL A 58 -7.225 6.846 -0.078 1.00 0.00 C ATOM 856 O VAL A 58 -6.559 7.789 -0.500 1.00 0.00 O ATOM 857 CB VAL A 58 -5.873 4.733 -0.545 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.673 4.437 0.943 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.825 3.446 -1.371 1.00 0.00 C ATOM 0 H VAL A 58 -6.759 6.343 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.978 4.876 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.053 5.372 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.735 3.900 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.642 5.374 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.499 3.826 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.884 2.929 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.656 2.801 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.900 3.691 -2.431 1.00 0.00 H new ATOM 869 N ALA A 59 -8.016 6.901 0.984 1.00 0.00 N ATOM 870 CA ALA A 59 -8.155 8.128 1.750 1.00 0.00 C ATOM 871 C ALA A 59 -6.801 8.838 1.817 1.00 0.00 C ATOM 872 O ALA A 59 -5.810 8.253 2.250 1.00 0.00 O ATOM 873 CB ALA A 59 -8.711 7.803 3.138 1.00 0.00 C ATOM 0 H ALA A 59 -8.567 6.116 1.332 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.859 8.805 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.815 8.723 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.686 7.326 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.028 7.128 3.654 1.00 0.00 H new ATOM 879 N GLY A 60 -6.803 10.090 1.381 1.00 0.00 N ATOM 880 CA GLY A 60 -5.588 10.886 1.386 1.00 0.00 C ATOM 881 C GLY A 60 -5.129 11.177 2.816 1.00 0.00 C ATOM 882 O GLY A 60 -4.042 11.713 3.026 1.00 0.00 O ATOM 0 H GLY A 60 -7.627 10.572 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.801 10.358 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.761 11.824 0.858 1.00 0.00 H new ATOM 886 N THR A 61 -5.981 10.812 3.763 1.00 0.00 N ATOM 887 CA THR A 61 -5.677 11.028 5.167 1.00 0.00 C ATOM 888 C THR A 61 -5.358 9.699 5.854 1.00 0.00 C ATOM 889 O THR A 61 -4.757 9.679 6.927 1.00 0.00 O ATOM 890 CB THR A 61 -6.857 11.771 5.798 1.00 0.00 C ATOM 891 OG1 THR A 61 -7.840 10.758 5.993 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.519 12.750 4.827 1.00 0.00 C ATOM 0 H THR A 61 -6.882 10.368 3.585 1.00 0.00 H new ATOM 0 HA THR A 61 -4.785 11.643 5.288 1.00 0.00 H new ATOM 0 HB THR A 61 -6.516 12.311 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.640 11.152 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.350 13.250 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.789 13.492 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.891 12.206 3.959 1.00 0.00 H new ATOM 900 N GLU A 62 -5.775 8.620 5.208 1.00 0.00 N ATOM 901 CA GLU A 62 -5.541 7.290 5.743 1.00 0.00 C ATOM 902 C GLU A 62 -4.043 7.057 5.952 1.00 0.00 C ATOM 903 O GLU A 62 -3.216 7.750 5.361 1.00 0.00 O ATOM 904 CB GLU A 62 -6.141 6.218 4.830 1.00 0.00 C ATOM 905 CG GLU A 62 -7.540 5.817 5.301 1.00 0.00 C ATOM 906 CD GLU A 62 -7.475 4.626 6.259 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.463 3.486 5.746 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.440 4.882 7.482 1.00 0.00 O ATOM 0 H GLU A 62 -6.274 8.640 4.318 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.038 7.216 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.191 6.593 3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.493 5.342 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.017 6.662 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.159 5.563 4.440 1.00 0.00 H new ATOM 915 N THR A 63 -3.740 6.080 6.793 1.00 0.00 N ATOM 916 CA THR A 63 -2.357 5.747 7.087 1.00 0.00 C ATOM 917 C THR A 63 -2.165 4.229 7.102 1.00 0.00 C ATOM 918 O THR A 63 -1.111 3.737 7.503 1.00 0.00 O ATOM 919 CB THR A 63 -1.979 6.420 8.408 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.066 6.115 9.277 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.995 7.948 8.312 1.00 0.00 C ATOM 0 H THR A 63 -4.429 5.508 7.281 1.00 0.00 H new ATOM 0 HA THR A 63 -1.687 6.120 6.312 1.00 0.00 H new ATOM 0 HB THR A 63 -0.988 6.086 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.880 5.279 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.720 8.376 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.282 8.272 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.995 8.285 8.038 1.00 0.00 H new ATOM 929 N GLU A 64 -3.200 3.530 6.660 1.00 0.00 N ATOM 930 CA GLU A 64 -3.158 2.078 6.618 1.00 0.00 C ATOM 931 C GLU A 64 -4.374 1.534 5.865 1.00 0.00 C ATOM 932 O GLU A 64 -5.285 2.287 5.524 1.00 0.00 O ATOM 933 CB GLU A 64 -3.078 1.490 8.028 1.00 0.00 C ATOM 934 CG GLU A 64 -3.970 2.269 8.998 1.00 0.00 C ATOM 935 CD GLU A 64 -3.157 2.810 10.176 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.182 3.544 9.903 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.529 2.478 11.322 1.00 0.00 O ATOM 0 H GLU A 64 -4.072 3.942 6.328 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.258 1.775 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.383 0.444 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.046 1.514 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.450 3.095 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.765 1.621 9.367 1.00 0.00 H new ATOM 944 N LEU A 65 -4.349 0.230 5.629 1.00 0.00 N ATOM 945 CA LEU A 65 -5.438 -0.423 4.923 1.00 0.00 C ATOM 946 C LEU A 65 -5.314 -1.939 5.093 1.00 0.00 C ATOM 947 O LEU A 65 -4.221 -2.453 5.325 1.00 0.00 O ATOM 948 CB LEU A 65 -5.479 0.031 3.463 1.00 0.00 C ATOM 949 CG LEU A 65 -6.414 -0.755 2.542 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.852 -0.244 2.654 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.909 -0.732 1.098 1.00 0.00 C ATOM 0 H LEU A 65 -3.592 -0.391 5.914 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.398 -0.131 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.774 1.080 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.469 -0.026 3.057 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.416 -1.796 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.496 -0.820 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.199 -0.356 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.887 0.808 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.592 -1.298 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.858 0.299 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.916 -1.180 1.052 1.00 0.00 H new ATOM 963 N LEU A 66 -6.449 -2.611 4.971 1.00 0.00 N ATOM 964 CA LEU A 66 -6.481 -4.057 5.108 1.00 0.00 C ATOM 965 C LEU A 66 -6.352 -4.699 3.725 1.00 0.00 C ATOM 966 O LEU A 66 -6.941 -4.220 2.757 1.00 0.00 O ATOM 967 CB LEU A 66 -7.729 -4.495 5.876 1.00 0.00 C ATOM 968 CG LEU A 66 -7.661 -5.874 6.536 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.606 -5.900 7.643 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.038 -6.306 7.045 1.00 0.00 C ATOM 0 H LEU A 66 -7.354 -2.181 4.779 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.634 -4.403 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.935 -3.754 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.576 -4.484 5.190 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.354 -6.599 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.578 -6.891 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.629 -5.667 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.858 -5.161 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.962 -7.289 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.397 -5.585 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.737 -6.352 6.210 1.00 0.00 H new ATOM 982 N VAL A 67 -5.579 -5.774 3.676 1.00 0.00 N ATOM 983 CA VAL A 67 -5.366 -6.486 2.428 1.00 0.00 C ATOM 984 C VAL A 67 -5.505 -7.990 2.673 1.00 0.00 C ATOM 985 O VAL A 67 -4.537 -8.737 2.538 1.00 0.00 O ATOM 986 CB VAL A 67 -4.011 -6.101 1.830 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.130 -4.843 0.966 1.00 0.00 C ATOM 988 CG2 VAL A 67 -2.961 -5.915 2.927 1.00 0.00 C ATOM 0 H VAL A 67 -5.093 -6.169 4.481 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.122 -6.205 1.695 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.684 -6.919 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.153 -4.591 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.832 -5.026 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.490 -4.015 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.007 -5.642 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.280 -5.125 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.846 -6.846 3.482 1.00 0.00 H new ATOM 998 N PRO A 68 -6.749 -8.399 3.040 1.00 0.00 N ATOM 999 CA PRO A 68 -7.027 -9.801 3.306 1.00 0.00 C ATOM 1000 C PRO A 68 -7.110 -10.600 2.004 1.00 0.00 C ATOM 1001 O PRO A 68 -7.333 -11.809 2.027 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.331 -9.801 4.088 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.972 -8.447 3.830 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.919 -7.543 3.211 1.00 0.00 C ATOM 0 HA PRO A 68 -6.235 -10.287 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.983 -10.611 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.148 -9.950 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.827 -8.551 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.345 -8.018 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.256 -7.138 2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.697 -6.694 3.857 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.926 -9.892 0.900 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.977 -10.520 -0.409 1.00 0.00 C ATOM 1014 C GLY A 69 -5.686 -11.289 -0.699 1.00 0.00 C ATOM 1015 O GLY A 69 -5.592 -11.994 -1.703 1.00 0.00 O ATOM 0 H GLY A 69 -6.741 -8.889 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.828 -11.199 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.132 -9.760 -1.175 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.725 -11.128 0.198 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.444 -11.799 0.052 1.00 0.00 C ATOM 1021 C LEU A 70 -3.658 -13.313 0.098 1.00 0.00 C ATOM 1022 O LEU A 70 -4.679 -13.784 0.596 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.448 -11.286 1.094 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.081 -9.803 0.998 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -3.005 -9.072 0.023 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.075 -9.150 2.381 1.00 0.00 C ATOM 0 H LEU A 70 -4.807 -10.542 1.029 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.002 -11.569 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.860 -11.474 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.533 -11.872 1.013 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.069 -9.726 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.723 -8.020 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.916 -9.519 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.036 -9.155 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.811 -8.097 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.065 -9.237 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.344 -9.650 3.016 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.678 -14.033 -0.427 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.746 -15.484 -0.452 1.00 0.00 C ATOM 1040 C ILE A 71 -1.827 -16.052 0.632 1.00 0.00 C ATOM 1041 O ILE A 71 -1.063 -15.314 1.253 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.440 -16.011 -1.855 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.158 -15.181 -2.921 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.775 -17.500 -1.966 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.567 -15.718 -3.177 1.00 0.00 C ATOM 0 H ILE A 71 -1.832 -13.639 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.757 -15.822 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.370 -15.907 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.214 -14.141 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.584 -15.198 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.548 -17.850 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.181 -18.061 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.835 -17.651 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.055 -15.110 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.506 -16.751 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.145 -15.677 -2.254 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.932 -17.358 0.827 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.120 -18.033 1.825 1.00 0.00 C ATOM 1059 C LYS A 72 -0.062 -18.887 1.124 1.00 0.00 C ATOM 1060 O LYS A 72 -0.331 -19.483 0.082 1.00 0.00 O ATOM 1061 CB LYS A 72 -2.005 -18.823 2.792 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.818 -19.885 2.048 1.00 0.00 C ATOM 1063 CD LYS A 72 -2.574 -21.275 2.638 1.00 0.00 C ATOM 1064 CE LYS A 72 -2.315 -22.302 1.534 1.00 0.00 C ATOM 1065 NZ LYS A 72 -3.096 -23.535 1.780 1.00 0.00 N ATOM 0 H LYS A 72 -2.567 -17.967 0.311 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.588 -17.305 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.385 -19.300 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.679 -18.143 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.879 -19.643 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.548 -19.882 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.721 -21.242 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.438 -21.580 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.585 -21.880 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.252 -22.540 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.909 -24.222 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.819 -23.945 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.110 -23.306 1.797 1.00 0.00 H new ATOM 1079 N ASP A 73 1.120 -18.919 1.723 1.00 0.00 N ATOM 1080 CA ASP A 73 2.219 -19.690 1.168 1.00 0.00 C ATOM 1081 C ASP A 73 2.910 -18.871 0.075 1.00 0.00 C ATOM 1082 O ASP A 73 3.626 -19.423 -0.759 1.00 0.00 O ATOM 1083 CB ASP A 73 1.718 -20.991 0.539 1.00 0.00 C ATOM 1084 CG ASP A 73 2.687 -22.171 0.633 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.746 -22.089 -0.026 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.347 -23.127 1.363 1.00 0.00 O ATOM 0 H ASP A 73 1.340 -18.423 2.587 1.00 0.00 H new ATOM 0 HA ASP A 73 2.909 -19.925 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.780 -21.271 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.495 -20.806 -0.512 1.00 0.00 H new ATOM 1091 N VAL A 74 2.670 -17.569 0.115 1.00 0.00 N ATOM 1092 CA VAL A 74 3.260 -16.669 -0.862 1.00 0.00 C ATOM 1093 C VAL A 74 3.733 -15.397 -0.156 1.00 0.00 C ATOM 1094 O VAL A 74 3.578 -15.261 1.056 1.00 0.00 O ATOM 1095 CB VAL A 74 2.262 -16.392 -1.988 1.00 0.00 C ATOM 1096 CG1 VAL A 74 2.019 -17.649 -2.827 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.947 -15.841 -1.432 1.00 0.00 C ATOM 0 H VAL A 74 2.075 -17.115 0.808 1.00 0.00 H new ATOM 0 HA VAL A 74 4.133 -17.128 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 74 2.694 -15.633 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.306 -17.425 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.960 -17.980 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.618 -18.439 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.255 -15.653 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.509 -16.567 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.139 -14.910 -0.899 1.00 0.00 H new ATOM 1107 N LEU A 75 4.302 -14.498 -0.946 1.00 0.00 N ATOM 1108 CA LEU A 75 4.799 -13.241 -0.412 1.00 0.00 C ATOM 1109 C LEU A 75 4.172 -12.079 -1.186 1.00 0.00 C ATOM 1110 O LEU A 75 4.673 -11.688 -2.239 1.00 0.00 O ATOM 1111 CB LEU A 75 6.329 -13.226 -0.414 1.00 0.00 C ATOM 1112 CG LEU A 75 6.992 -12.349 0.650 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.505 -10.902 0.550 1.00 0.00 C ATOM 1114 CD2 LEU A 75 6.780 -12.929 2.050 1.00 0.00 C ATOM 0 H LEU A 75 4.430 -14.615 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 75 4.503 -13.127 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.683 -14.249 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.668 -12.892 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 75 8.066 -12.341 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.992 -10.300 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.750 -10.503 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.425 -10.871 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.261 -12.286 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.712 -12.988 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.215 -13.927 2.100 1.00 0.00 H new ATOM 1126 N TYR A 76 3.085 -11.561 -0.633 1.00 0.00 N ATOM 1127 CA TYR A 76 2.384 -10.452 -1.258 1.00 0.00 C ATOM 1128 C TYR A 76 3.055 -9.119 -0.921 1.00 0.00 C ATOM 1129 O TYR A 76 3.164 -8.753 0.249 1.00 0.00 O ATOM 1130 CB TYR A 76 0.971 -10.461 -0.671 1.00 0.00 C ATOM 1131 CG TYR A 76 -0.092 -11.025 -1.616 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.070 -12.361 -1.960 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -1.072 -10.197 -2.124 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.071 -12.892 -2.849 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -2.072 -10.727 -3.014 1.00 0.00 C ATOM 1136 CZ TYR A 76 -2.023 -12.049 -3.332 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.968 -12.550 -4.172 1.00 0.00 O ATOM 0 H TYR A 76 2.673 -11.889 0.241 1.00 0.00 H new ATOM 0 HA TYR A 76 2.387 -10.559 -2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.974 -11.048 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.696 -9.442 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.698 -13.008 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.089 -9.151 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.066 -13.936 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.844 -10.090 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.583 -11.834 -4.437 1.00 0.00 H new ATOM 1147 N GLU A 77 3.489 -8.430 -1.966 1.00 0.00 N ATOM 1148 CA GLU A 77 4.146 -7.145 -1.795 1.00 0.00 C ATOM 1149 C GLU A 77 3.114 -6.016 -1.793 1.00 0.00 C ATOM 1150 O GLU A 77 1.916 -6.265 -1.926 1.00 0.00 O ATOM 1151 CB GLU A 77 5.202 -6.921 -2.880 1.00 0.00 C ATOM 1152 CG GLU A 77 6.498 -7.662 -2.545 1.00 0.00 C ATOM 1153 CD GLU A 77 7.186 -8.166 -3.815 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.831 -7.328 -4.481 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.050 -9.377 -4.092 1.00 0.00 O ATOM 0 H GLU A 77 3.399 -8.737 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 77 4.656 -7.145 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.820 -7.265 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.404 -5.855 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.171 -6.998 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.280 -8.503 -1.887 1.00 0.00 H new ATOM 1162 N PHE A 78 3.615 -4.800 -1.640 1.00 0.00 N ATOM 1163 CA PHE A 78 2.751 -3.632 -1.619 1.00 0.00 C ATOM 1164 C PHE A 78 3.549 -2.354 -1.883 1.00 0.00 C ATOM 1165 O PHE A 78 4.760 -2.319 -1.669 1.00 0.00 O ATOM 1166 CB PHE A 78 2.136 -3.555 -0.220 1.00 0.00 C ATOM 1167 CG PHE A 78 1.218 -4.731 0.121 1.00 0.00 C ATOM 1168 CD1 PHE A 78 -0.047 -4.774 -0.378 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.666 -5.733 0.923 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.898 -5.865 -0.062 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.815 -6.824 1.240 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.450 -6.867 0.741 1.00 0.00 C ATOM 0 H PHE A 78 4.609 -4.598 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 78 1.990 -3.719 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.938 -3.508 0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.569 -2.628 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.404 -3.978 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.670 -5.699 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.902 -5.899 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.172 -7.620 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.098 -7.696 0.982 1.00 0.00 H new ATOM 1182 N ARG A 79 2.839 -1.334 -2.343 1.00 0.00 N ATOM 1183 CA ARG A 79 3.467 -0.057 -2.638 1.00 0.00 C ATOM 1184 C ARG A 79 2.410 1.046 -2.727 1.00 0.00 C ATOM 1185 O ARG A 79 1.441 0.923 -3.475 1.00 0.00 O ATOM 1186 CB ARG A 79 4.245 -0.117 -3.954 1.00 0.00 C ATOM 1187 CG ARG A 79 3.294 -0.172 -5.151 1.00 0.00 C ATOM 1188 CD ARG A 79 4.054 -0.488 -6.441 1.00 0.00 C ATOM 1189 NE ARG A 79 3.557 0.366 -7.543 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.965 0.264 -8.815 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.879 -0.656 -9.154 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.460 1.082 -9.749 1.00 0.00 N ATOM 0 H ARG A 79 1.835 -1.366 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 79 4.162 0.166 -1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.892 0.756 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.892 -0.994 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.531 -0.931 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.777 0.782 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.121 -0.322 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.928 -1.539 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 79 2.860 1.077 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.264 -1.278 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.190 -0.734 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.765 1.783 -9.491 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.771 1.004 -10.717 1.00 0.00 H new ATOM 1206 N LEU A 80 2.633 2.098 -1.954 1.00 0.00 N ATOM 1207 CA LEU A 80 1.712 3.222 -1.937 1.00 0.00 C ATOM 1208 C LEU A 80 2.280 4.354 -2.796 1.00 0.00 C ATOM 1209 O LEU A 80 3.486 4.595 -2.794 1.00 0.00 O ATOM 1210 CB LEU A 80 1.402 3.638 -0.498 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.081 3.722 -0.128 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.880 2.613 -0.815 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.269 3.708 1.390 1.00 0.00 C ATOM 0 H LEU A 80 3.438 2.196 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 80 0.755 2.938 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.885 2.930 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.857 4.612 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.471 4.673 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.930 2.695 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.783 2.711 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.496 1.642 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.331 3.769 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.141 2.785 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.249 4.561 1.829 1.00 0.00 H new ATOM 1225 N VAL A 81 1.383 5.020 -3.509 1.00 0.00 N ATOM 1226 CA VAL A 81 1.779 6.120 -4.370 1.00 0.00 C ATOM 1227 C VAL A 81 0.898 7.336 -4.075 1.00 0.00 C ATOM 1228 O VAL A 81 -0.271 7.367 -4.457 1.00 0.00 O ATOM 1229 CB VAL A 81 1.724 5.684 -5.836 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.804 6.389 -6.659 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.845 4.164 -5.960 1.00 0.00 C ATOM 0 H VAL A 81 0.383 4.818 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 81 2.811 6.409 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 81 0.754 5.977 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.743 6.061 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.653 7.467 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.787 6.141 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.803 3.880 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.794 3.839 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.024 3.689 -5.423 1.00 0.00 H new ATOM 1241 N ALA A 82 1.492 8.307 -3.399 1.00 0.00 N ATOM 1242 CA ALA A 82 0.776 9.522 -3.048 1.00 0.00 C ATOM 1243 C ALA A 82 0.616 10.393 -4.295 1.00 0.00 C ATOM 1244 O ALA A 82 1.595 10.934 -4.808 1.00 0.00 O ATOM 1245 CB ALA A 82 1.518 10.246 -1.922 1.00 0.00 C ATOM 0 H ALA A 82 2.462 8.278 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.223 9.286 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.981 11.157 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.578 9.596 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.524 10.501 -2.255 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.624 10.502 -4.748 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.924 11.298 -5.926 1.00 0.00 C ATOM 1253 C PHE A 83 -1.988 12.354 -5.617 1.00 0.00 C ATOM 1254 O PHE A 83 -2.960 12.074 -4.917 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.467 10.339 -6.987 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.763 9.634 -6.585 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.930 10.330 -6.539 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.748 8.310 -6.272 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.134 9.675 -6.165 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -3.952 7.655 -5.899 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.119 8.352 -5.853 1.00 0.00 C ATOM 0 H PHE A 83 -1.433 10.052 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.026 11.814 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.639 10.894 -7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.709 9.587 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.942 11.381 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.821 7.757 -6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.061 10.228 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.941 6.604 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.034 7.854 -5.568 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.768 13.544 -6.156 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.696 14.643 -5.947 1.00 0.00 C ATOM 1273 C ALA A 84 -3.022 15.292 -7.294 1.00 0.00 C ATOM 1274 O ALA A 84 -2.130 15.788 -7.980 1.00 0.00 O ATOM 1275 CB ALA A 84 -2.094 15.637 -4.951 1.00 0.00 C ATOM 0 H ALA A 84 -0.961 13.771 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.631 14.280 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.790 16.461 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.908 15.134 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.155 16.025 -5.346 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.303 15.267 -7.631 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.758 15.847 -8.883 1.00 0.00 C ATOM 1283 C GLY A 85 -4.000 15.251 -10.071 1.00 0.00 C ATOM 1284 O GLY A 85 -4.339 14.168 -10.548 1.00 0.00 O ATOM 0 H GLY A 85 -5.040 14.854 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.827 15.669 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.615 16.927 -8.861 1.00 0.00 H new ATOM 1288 N SER A 86 -2.989 15.983 -10.515 1.00 0.00 N ATOM 1289 CA SER A 86 -2.181 15.540 -11.638 1.00 0.00 C ATOM 1290 C SER A 86 -0.774 15.177 -11.158 1.00 0.00 C ATOM 1291 O SER A 86 0.074 14.778 -11.956 1.00 0.00 O ATOM 1292 CB SER A 86 -2.110 16.616 -12.724 1.00 0.00 C ATOM 1293 OG SER A 86 -3.184 16.507 -13.653 1.00 0.00 O ATOM 0 H SER A 86 -2.711 16.880 -10.117 1.00 0.00 H new ATOM 0 HA SER A 86 -2.651 14.656 -12.070 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.131 17.602 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.162 16.534 -13.255 1.00 0.00 H new ATOM 0 HG SER A 86 -3.104 17.212 -14.329 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.569 15.327 -9.858 1.00 0.00 N ATOM 1300 CA PHE A 87 0.721 15.020 -9.263 1.00 0.00 C ATOM 1301 C PHE A 87 0.755 13.581 -8.742 1.00 0.00 C ATOM 1302 O PHE A 87 -0.020 13.218 -7.859 1.00 0.00 O ATOM 1303 CB PHE A 87 0.911 15.980 -8.087 1.00 0.00 C ATOM 1304 CG PHE A 87 0.956 17.455 -8.490 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.188 18.096 -8.851 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.139 18.126 -8.487 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.147 19.466 -9.224 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.180 19.495 -8.860 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.036 20.136 -9.221 1.00 0.00 C ATOM 0 H PHE A 87 -1.275 15.657 -9.200 1.00 0.00 H new ATOM 0 HA PHE A 87 1.510 15.128 -10.008 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.098 15.833 -7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.837 15.727 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.128 17.563 -8.854 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.048 17.617 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.055 19.975 -9.510 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.120 20.028 -8.857 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.067 21.177 -9.505 1.00 0.00 H new ATOM 1319 N VAL A 88 1.662 12.801 -9.312 1.00 0.00 N ATOM 1320 CA VAL A 88 1.808 11.411 -8.916 1.00 0.00 C ATOM 1321 C VAL A 88 3.182 11.209 -8.275 1.00 0.00 C ATOM 1322 O VAL A 88 4.205 11.279 -8.955 1.00 0.00 O ATOM 1323 CB VAL A 88 1.570 10.497 -10.120 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.314 9.170 -9.956 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.074 10.262 -10.343 1.00 0.00 C ATOM 0 H VAL A 88 2.303 13.105 -10.045 1.00 0.00 H new ATOM 0 HA VAL A 88 1.059 11.146 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 88 1.966 10.997 -11.004 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.128 8.539 -10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.384 9.361 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.961 8.664 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.067 9.609 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.357 9.793 -9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.421 11.216 -10.525 1.00 0.00 H new ATOM 1335 N SER A 89 3.162 10.962 -6.973 1.00 0.00 N ATOM 1336 CA SER A 89 4.393 10.749 -6.233 1.00 0.00 C ATOM 1337 C SER A 89 4.928 9.341 -6.500 1.00 0.00 C ATOM 1338 O SER A 89 4.220 8.498 -7.047 1.00 0.00 O ATOM 1339 CB SER A 89 4.177 10.959 -4.733 1.00 0.00 C ATOM 1340 OG SER A 89 3.575 9.824 -4.116 1.00 0.00 O ATOM 0 H SER A 89 2.312 10.905 -6.412 1.00 0.00 H new ATOM 0 HA SER A 89 5.127 11.480 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.134 11.167 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.546 11.834 -4.577 1.00 0.00 H new ATOM 0 HG SER A 89 4.245 9.117 -4.008 1.00 0.00 H new ATOM 1346 N ASP A 90 6.174 9.130 -6.101 1.00 0.00 N ATOM 1347 CA ASP A 90 6.812 7.839 -6.290 1.00 0.00 C ATOM 1348 C ASP A 90 6.219 6.832 -5.303 1.00 0.00 C ATOM 1349 O ASP A 90 5.728 7.213 -4.242 1.00 0.00 O ATOM 1350 CB ASP A 90 8.318 7.925 -6.031 1.00 0.00 C ATOM 1351 CG ASP A 90 9.157 8.359 -7.234 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.599 8.338 -8.353 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.337 8.703 -7.008 1.00 0.00 O ATOM 0 H ASP A 90 6.759 9.832 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 90 6.641 7.526 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.492 8.626 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.670 6.950 -5.695 1.00 0.00 H new ATOM 1358 N PRO A 91 6.287 5.532 -5.697 1.00 0.00 N ATOM 1359 CA PRO A 91 5.762 4.467 -4.858 1.00 0.00 C ATOM 1360 C PRO A 91 6.693 4.193 -3.675 1.00 0.00 C ATOM 1361 O PRO A 91 7.796 3.680 -3.854 1.00 0.00 O ATOM 1362 CB PRO A 91 5.614 3.273 -5.786 1.00 0.00 C ATOM 1363 CG PRO A 91 6.490 3.570 -6.992 1.00 0.00 C ATOM 1364 CD PRO A 91 6.862 5.043 -6.946 1.00 0.00 C ATOM 0 HA PRO A 91 4.805 4.722 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.928 2.354 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.574 3.136 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.386 2.949 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.959 3.339 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.943 5.179 -6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.459 5.580 -7.805 1.00 0.00 H new ATOM 1372 N SER A 92 6.213 4.547 -2.492 1.00 0.00 N ATOM 1373 CA SER A 92 6.988 4.345 -1.279 1.00 0.00 C ATOM 1374 C SER A 92 7.638 2.960 -1.298 1.00 0.00 C ATOM 1375 O SER A 92 7.365 2.155 -2.187 1.00 0.00 O ATOM 1376 CB SER A 92 6.113 4.504 -0.034 1.00 0.00 C ATOM 1377 OG SER A 92 4.935 3.706 -0.103 1.00 0.00 O ATOM 0 H SER A 92 5.297 4.972 -2.347 1.00 0.00 H new ATOM 0 HA SER A 92 7.769 5.105 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.687 4.227 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.835 5.551 0.082 1.00 0.00 H new ATOM 0 HG SER A 92 4.304 3.994 0.589 1.00 0.00 H new ATOM 1383 N ASN A 93 8.485 2.726 -0.306 1.00 0.00 N ATOM 1384 CA ASN A 93 9.175 1.452 -0.197 1.00 0.00 C ATOM 1385 C ASN A 93 8.183 0.315 -0.450 1.00 0.00 C ATOM 1386 O ASN A 93 6.983 0.552 -0.581 1.00 0.00 O ATOM 1387 CB ASN A 93 9.764 1.263 1.202 1.00 0.00 C ATOM 1388 CG ASN A 93 8.972 0.221 1.994 1.00 0.00 C ATOM 1389 OD1 ASN A 93 9.210 -0.973 1.912 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.018 0.738 2.764 1.00 0.00 N ATOM 0 H ASN A 93 8.709 3.397 0.429 1.00 0.00 H new ATOM 0 HA ASN A 93 9.980 1.441 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.805 0.951 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 93 9.756 2.214 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.433 0.125 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.872 1.747 2.786 1.00 0.00 H new ATOM 1397 N THR A 94 8.721 -0.894 -0.512 1.00 0.00 N ATOM 1398 CA THR A 94 7.897 -2.068 -0.747 1.00 0.00 C ATOM 1399 C THR A 94 7.691 -2.844 0.556 1.00 0.00 C ATOM 1400 O THR A 94 8.655 -3.175 1.245 1.00 0.00 O ATOM 1401 CB THR A 94 8.559 -2.897 -1.850 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.121 -1.923 -2.726 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.540 -3.636 -2.719 1.00 0.00 C ATOM 0 H THR A 94 9.717 -1.086 -0.404 1.00 0.00 H new ATOM 0 HA THR A 94 6.899 -1.790 -1.084 1.00 0.00 H new ATOM 0 HB THR A 94 9.243 -3.617 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.572 -2.374 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.063 -4.208 -3.485 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.954 -4.313 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.876 -2.914 -3.195 1.00 0.00 H new ATOM 1411 N ALA A 95 6.428 -3.113 0.853 1.00 0.00 N ATOM 1412 CA ALA A 95 6.083 -3.844 2.060 1.00 0.00 C ATOM 1413 C ALA A 95 5.735 -5.288 1.695 1.00 0.00 C ATOM 1414 O ALA A 95 4.853 -5.528 0.871 1.00 0.00 O ATOM 1415 CB ALA A 95 4.936 -3.131 2.779 1.00 0.00 C ATOM 0 H ALA A 95 5.631 -2.838 0.279 1.00 0.00 H new ATOM 0 HA ALA A 95 6.929 -3.873 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.677 -3.680 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.245 -2.120 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.067 -3.085 2.122 1.00 0.00 H new ATOM 1421 N ASN A 96 6.445 -6.212 2.325 1.00 0.00 N ATOM 1422 CA ASN A 96 6.221 -7.626 2.077 1.00 0.00 C ATOM 1423 C ASN A 96 5.521 -8.248 3.286 1.00 0.00 C ATOM 1424 O ASN A 96 5.755 -7.839 4.422 1.00 0.00 O ATOM 1425 CB ASN A 96 7.545 -8.365 1.866 1.00 0.00 C ATOM 1426 CG ASN A 96 8.670 -7.714 2.674 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.556 -7.474 3.864 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.760 -7.443 1.962 1.00 0.00 N ATOM 0 H ASN A 96 7.176 -6.009 3.007 1.00 0.00 H new ATOM 0 HA ASN A 96 5.609 -7.717 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.435 -9.408 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.803 -8.361 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.567 -7.008 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.789 -7.670 0.968 1.00 0.00 H new ATOM 1435 N VAL A 97 4.674 -9.227 3.001 1.00 0.00 N ATOM 1436 CA VAL A 97 3.938 -9.909 4.052 1.00 0.00 C ATOM 1437 C VAL A 97 4.329 -11.388 4.065 1.00 0.00 C ATOM 1438 O VAL A 97 4.556 -11.983 3.012 1.00 0.00 O ATOM 1439 CB VAL A 97 2.435 -9.689 3.864 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.656 -10.981 4.123 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.931 -8.556 4.759 1.00 0.00 C ATOM 0 H VAL A 97 4.481 -9.564 2.058 1.00 0.00 H new ATOM 0 HA VAL A 97 4.194 -9.497 5.028 1.00 0.00 H new ATOM 0 HB VAL A 97 2.265 -9.397 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.591 -10.798 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.987 -11.751 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.835 -11.315 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.860 -8.420 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.120 -8.806 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.453 -7.633 4.507 1.00 0.00 H new ATOM 1451 N SER A 98 4.395 -11.939 5.268 1.00 0.00 N ATOM 1452 CA SER A 98 4.755 -13.337 5.432 1.00 0.00 C ATOM 1453 C SER A 98 3.542 -14.137 5.911 1.00 0.00 C ATOM 1454 O SER A 98 2.754 -13.650 6.721 1.00 0.00 O ATOM 1455 CB SER A 98 5.917 -13.495 6.414 1.00 0.00 C ATOM 1456 OG SER A 98 5.995 -14.817 6.941 1.00 0.00 O ATOM 0 H SER A 98 4.205 -11.442 6.139 1.00 0.00 H new ATOM 0 HA SER A 98 5.078 -13.723 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.852 -13.249 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.799 -12.785 7.232 1.00 0.00 H new ATOM 0 HG SER A 98 6.750 -14.877 7.562 1.00 0.00 H new