USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 726 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 94 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-0.54) USER MOD Set 1.2: A 132 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 21 GLN :FLIP amide:sc= -2.21! C(o=-6.3!,f=-5.4!) USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -0.732 USER MOD Set 2.3: A 26 THR OG1 : rot -169:sc= -2.5! USER MOD Single : A 4 THR OG1 : rot 152:sc= 0.0973 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.483 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.117 (180deg=-0.45) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.7!) USER MOD Single : A 39 THR OG1 : rot 91:sc= 0.662 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.0047) USER MOD Single : A 84 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-4.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 67:sc= -0.448 USER MOD Single : A 125 SER OG : rot -159:sc= -2.3! USER MOD Single : A 133 TYR OH : rot -30:sc= -4.83! USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -18.769 -10.346 8.165 1.00 0.00 N ATOM 32 CA GLY A 3 -17.464 -11.036 8.349 1.00 0.00 C ATOM 33 C GLY A 3 -16.352 -10.011 8.605 1.00 0.00 C ATOM 34 O GLY A 3 -16.089 -9.630 9.730 1.00 0.00 O ATOM 0 HA2 GLY A 3 -17.527 -11.731 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.228 -11.625 7.463 1.00 0.00 H new ATOM 38 N THR A 4 -15.690 -9.569 7.573 1.00 0.00 N ATOM 39 CA THR A 4 -14.580 -8.585 7.769 1.00 0.00 C ATOM 40 C THR A 4 -14.530 -7.558 6.640 1.00 0.00 C ATOM 41 O THR A 4 -14.838 -7.844 5.506 1.00 0.00 O ATOM 42 CB THR A 4 -13.295 -9.412 7.788 1.00 0.00 C ATOM 43 OG1 THR A 4 -13.317 -10.294 8.902 1.00 0.00 O ATOM 44 CG2 THR A 4 -12.087 -8.474 7.896 1.00 0.00 C ATOM 0 H THR A 4 -15.865 -9.842 6.606 1.00 0.00 H new ATOM 0 HA THR A 4 -14.721 -8.020 8.690 1.00 0.00 H new ATOM 0 HB THR A 4 -13.220 -9.993 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.781 -11.090 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.170 -9.062 7.910 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.073 -7.799 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.159 -7.893 8.815 1.00 0.00 H new ATOM 52 N LEU A 5 -14.137 -6.359 6.952 1.00 0.00 N ATOM 53 CA LEU A 5 -14.048 -5.311 5.903 1.00 0.00 C ATOM 54 C LEU A 5 -12.654 -4.675 5.910 1.00 0.00 C ATOM 55 O LEU A 5 -12.084 -4.417 6.951 1.00 0.00 O ATOM 56 CB LEU A 5 -15.138 -4.289 6.284 1.00 0.00 C ATOM 57 CG LEU A 5 -14.914 -2.914 5.611 1.00 0.00 C ATOM 58 CD1 LEU A 5 -13.815 -2.150 6.348 1.00 0.00 C ATOM 59 CD2 LEU A 5 -14.530 -3.096 4.138 1.00 0.00 C ATOM 0 H LEU A 5 -13.873 -6.058 7.890 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.198 -5.702 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.114 -4.678 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.153 -4.163 7.367 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.841 -2.344 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.661 -1.183 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.110 -1.999 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.888 -2.723 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.376 -2.120 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.611 -3.678 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.330 -3.620 3.616 1.00 0.00 H new ATOM 71 N LEU A 6 -12.130 -4.366 4.759 1.00 0.00 N ATOM 72 CA LEU A 6 -10.810 -3.683 4.706 1.00 0.00 C ATOM 73 C LEU A 6 -10.930 -2.468 3.791 1.00 0.00 C ATOM 74 O LEU A 6 -11.651 -2.484 2.821 1.00 0.00 O ATOM 75 CB LEU A 6 -9.815 -4.692 4.135 1.00 0.00 C ATOM 76 CG LEU A 6 -8.485 -4.652 4.917 1.00 0.00 C ATOM 77 CD1 LEU A 6 -8.077 -3.220 5.274 1.00 0.00 C ATOM 78 CD2 LEU A 6 -8.618 -5.455 6.205 1.00 0.00 C ATOM 0 H LEU A 6 -12.558 -4.557 3.853 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.480 -3.344 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.240 -5.695 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.631 -4.473 3.083 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.717 -5.082 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.136 -3.236 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.954 -2.638 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.851 -2.765 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.676 -5.423 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.410 -5.028 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.863 -6.490 5.965 1.00 0.00 H new ATOM 90 N ALA A 7 -10.250 -1.410 4.096 1.00 0.00 N ATOM 91 CA ALA A 7 -10.352 -0.198 3.228 1.00 0.00 C ATOM 92 C ALA A 7 -9.089 0.636 3.337 1.00 0.00 C ATOM 93 O ALA A 7 -8.683 1.001 4.422 1.00 0.00 O ATOM 94 CB ALA A 7 -11.545 0.574 3.766 1.00 0.00 C ATOM 0 H ALA A 7 -9.630 -1.323 4.901 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.473 -0.456 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.686 1.481 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.440 -0.045 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.366 0.840 4.808 1.00 0.00 H new ATOM 100 N PHE A 8 -8.460 0.947 2.242 1.00 0.00 N ATOM 101 CA PHE A 8 -7.219 1.755 2.343 1.00 0.00 C ATOM 102 C PHE A 8 -7.294 3.037 1.519 1.00 0.00 C ATOM 103 O PHE A 8 -7.672 3.038 0.370 1.00 0.00 O ATOM 104 CB PHE A 8 -6.082 0.897 1.776 1.00 0.00 C ATOM 105 CG PHE A 8 -6.170 -0.548 2.212 1.00 0.00 C ATOM 106 CD1 PHE A 8 -7.142 -1.397 1.669 1.00 0.00 C ATOM 107 CD2 PHE A 8 -5.250 -1.044 3.138 1.00 0.00 C ATOM 108 CE1 PHE A 8 -7.191 -2.740 2.058 1.00 0.00 C ATOM 109 CE2 PHE A 8 -5.303 -2.383 3.532 1.00 0.00 C ATOM 110 CZ PHE A 8 -6.271 -3.233 2.990 1.00 0.00 C ATOM 0 H PHE A 8 -8.744 0.683 1.299 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.066 2.036 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.103 0.946 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.126 1.311 2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.853 -1.016 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.496 -0.391 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.939 -3.396 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.596 -2.761 4.255 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.309 -4.270 3.290 1.00 0.00 H new ATOM 120 N ASP A 9 -6.849 4.113 2.083 1.00 0.00 N ATOM 121 CA ASP A 9 -6.799 5.383 1.323 1.00 0.00 C ATOM 122 C ASP A 9 -5.328 5.617 1.002 1.00 0.00 C ATOM 123 O ASP A 9 -4.570 6.084 1.838 1.00 0.00 O ATOM 124 CB ASP A 9 -7.332 6.458 2.271 1.00 0.00 C ATOM 125 CG ASP A 9 -7.357 7.804 1.546 1.00 0.00 C ATOM 126 OD1 ASP A 9 -6.324 8.451 1.501 1.00 0.00 O ATOM 127 OD2 ASP A 9 -8.411 8.168 1.049 1.00 0.00 O ATOM 0 H ASP A 9 -6.515 4.170 3.045 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.381 5.384 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.334 6.196 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.702 6.521 3.158 1.00 0.00 H new ATOM 132 N PHE A 10 -4.888 5.241 -0.177 1.00 0.00 N ATOM 133 CA PHE A 10 -3.434 5.410 -0.480 1.00 0.00 C ATOM 134 C PHE A 10 -3.069 5.070 -1.927 1.00 0.00 C ATOM 135 O PHE A 10 -3.906 5.073 -2.821 1.00 0.00 O ATOM 136 CB PHE A 10 -2.721 4.466 0.501 1.00 0.00 C ATOM 137 CG PHE A 10 -2.684 3.017 0.011 1.00 0.00 C ATOM 138 CD1 PHE A 10 -3.771 2.171 0.254 1.00 0.00 C ATOM 139 CD2 PHE A 10 -1.547 2.510 -0.639 1.00 0.00 C ATOM 140 CE1 PHE A 10 -3.718 0.828 -0.155 1.00 0.00 C ATOM 141 CE2 PHE A 10 -1.496 1.174 -1.034 1.00 0.00 C ATOM 142 CZ PHE A 10 -2.578 0.334 -0.794 1.00 0.00 C ATOM 0 H PHE A 10 -5.455 4.836 -0.922 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.137 6.453 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.701 4.817 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.225 4.505 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.650 2.550 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.706 3.159 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.560 0.176 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.615 0.791 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.537 -0.700 -1.102 1.00 0.00 H new ATOM 152 N GLY A 11 -1.801 4.796 -2.149 1.00 0.00 N ATOM 153 CA GLY A 11 -1.336 4.468 -3.526 1.00 0.00 C ATOM 154 C GLY A 11 0.075 3.859 -3.502 1.00 0.00 C ATOM 155 O GLY A 11 0.457 3.161 -2.584 1.00 0.00 O ATOM 0 H GLY A 11 -1.075 4.787 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.030 3.768 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.336 5.370 -4.138 1.00 0.00 H new ATOM 159 N THR A 12 0.836 4.112 -4.534 1.00 0.00 N ATOM 160 CA THR A 12 2.222 3.551 -4.646 1.00 0.00 C ATOM 161 C THR A 12 2.966 3.506 -3.299 1.00 0.00 C ATOM 162 O THR A 12 2.902 2.524 -2.587 1.00 0.00 O ATOM 163 CB THR A 12 2.931 4.481 -5.632 1.00 0.00 C ATOM 164 OG1 THR A 12 2.938 5.803 -5.110 1.00 0.00 O ATOM 165 CG2 THR A 12 2.189 4.460 -6.969 1.00 0.00 C ATOM 0 H THR A 12 0.552 4.695 -5.321 1.00 0.00 H new ATOM 0 HA THR A 12 2.198 2.513 -4.978 1.00 0.00 H new ATOM 0 HB THR A 12 3.957 4.146 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.393 6.401 -5.739 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.691 5.122 -7.674 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.182 3.445 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.163 4.799 -6.821 1.00 0.00 H new ATOM 173 N LYS A 13 3.698 4.536 -2.953 1.00 0.00 N ATOM 174 CA LYS A 13 4.466 4.505 -1.667 1.00 0.00 C ATOM 175 C LYS A 13 3.734 5.265 -0.559 1.00 0.00 C ATOM 176 O LYS A 13 4.311 6.097 0.113 1.00 0.00 O ATOM 177 CB LYS A 13 5.794 5.200 -1.987 1.00 0.00 C ATOM 178 CG LYS A 13 6.441 4.548 -3.212 1.00 0.00 C ATOM 179 CD LYS A 13 6.392 5.522 -4.393 1.00 0.00 C ATOM 180 CE LYS A 13 7.303 6.719 -4.106 1.00 0.00 C ATOM 181 NZ LYS A 13 6.396 7.899 -4.105 1.00 0.00 N ATOM 0 H LYS A 13 3.798 5.391 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 13 4.597 3.485 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.624 6.260 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.465 5.133 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.474 4.279 -2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.918 3.626 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.711 5.019 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.369 5.861 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.809 6.609 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.078 6.817 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.770 8.624 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.335 8.290 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.449 7.609 -3.788 1.00 0.00 H new ATOM 195 N SER A 14 2.474 5.000 -0.358 1.00 0.00 N ATOM 196 CA SER A 14 1.731 5.731 0.715 1.00 0.00 C ATOM 197 C SER A 14 0.750 4.786 1.425 1.00 0.00 C ATOM 198 O SER A 14 0.063 4.031 0.794 1.00 0.00 O ATOM 199 CB SER A 14 0.970 6.847 -0.019 1.00 0.00 C ATOM 200 OG SER A 14 1.414 6.942 -1.369 1.00 0.00 O ATOM 0 H SER A 14 1.928 4.317 -0.882 1.00 0.00 H new ATOM 0 HA SER A 14 2.398 6.126 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.101 6.644 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.125 7.798 0.490 1.00 0.00 H new ATOM 0 HG SER A 14 0.921 7.655 -1.826 1.00 0.00 H new ATOM 206 N ILE A 15 0.708 4.808 2.731 1.00 0.00 N ATOM 207 CA ILE A 15 -0.238 3.885 3.490 1.00 0.00 C ATOM 208 C ILE A 15 -1.177 4.616 4.503 1.00 0.00 C ATOM 209 O ILE A 15 -0.839 4.844 5.662 1.00 0.00 O ATOM 210 CB ILE A 15 0.682 2.913 4.219 1.00 0.00 C ATOM 211 CG1 ILE A 15 1.408 2.039 3.187 1.00 0.00 C ATOM 212 CG2 ILE A 15 -0.140 2.015 5.151 1.00 0.00 C ATOM 213 CD1 ILE A 15 0.384 1.275 2.328 1.00 0.00 C ATOM 0 H ILE A 15 1.279 5.417 3.318 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.927 3.404 2.796 1.00 0.00 H new ATOM 0 HB ILE A 15 1.406 3.475 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.037 2.661 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.067 1.334 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.524 1.323 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.663 2.631 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.867 1.451 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.909 0.658 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.226 0.639 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.257 1.986 1.807 1.00 0.00 H new ATOM 225 N GLY A 16 -2.364 4.938 4.092 1.00 0.00 N ATOM 226 CA GLY A 16 -3.345 5.570 5.019 1.00 0.00 C ATOM 227 C GLY A 16 -4.553 4.664 4.920 1.00 0.00 C ATOM 228 O GLY A 16 -5.217 4.660 3.903 1.00 0.00 O ATOM 0 H GLY A 16 -2.705 4.790 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.961 5.619 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.582 6.591 4.719 1.00 0.00 H new ATOM 232 N VAL A 17 -4.811 3.821 5.892 1.00 0.00 N ATOM 233 CA VAL A 17 -5.949 2.869 5.670 1.00 0.00 C ATOM 234 C VAL A 17 -6.805 2.622 6.924 1.00 0.00 C ATOM 235 O VAL A 17 -6.413 2.901 8.035 1.00 0.00 O ATOM 236 CB VAL A 17 -5.299 1.554 5.088 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.786 1.461 5.346 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.966 0.284 5.642 1.00 0.00 C ATOM 0 H VAL A 17 -4.316 3.748 6.781 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.671 3.291 4.971 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.465 1.618 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.401 0.534 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.285 2.310 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.599 1.473 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.486 -0.596 5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.862 0.262 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.024 0.284 5.379 1.00 0.00 H new ATOM 248 N ALA A 18 -7.975 2.056 6.716 1.00 0.00 N ATOM 249 CA ALA A 18 -8.892 1.719 7.849 1.00 0.00 C ATOM 250 C ALA A 18 -9.261 0.232 7.762 1.00 0.00 C ATOM 251 O ALA A 18 -9.699 -0.240 6.732 1.00 0.00 O ATOM 252 CB ALA A 18 -10.165 2.551 7.640 1.00 0.00 C ATOM 0 H ALA A 18 -8.335 1.811 5.794 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.428 1.924 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.872 2.342 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.912 3.611 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.617 2.291 6.683 1.00 0.00 H new ATOM 258 N VAL A 19 -9.134 -0.501 8.829 1.00 0.00 N ATOM 259 CA VAL A 19 -9.534 -1.943 8.789 1.00 0.00 C ATOM 260 C VAL A 19 -10.886 -2.041 9.480 1.00 0.00 C ATOM 261 O VAL A 19 -11.029 -1.570 10.583 1.00 0.00 O ATOM 262 CB VAL A 19 -8.480 -2.704 9.592 1.00 0.00 C ATOM 263 CG1 VAL A 19 -8.643 -4.202 9.348 1.00 0.00 C ATOM 264 CG2 VAL A 19 -7.068 -2.270 9.176 1.00 0.00 C ATOM 0 H VAL A 19 -8.773 -0.172 9.725 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.603 -2.346 7.778 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.617 -2.482 10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.892 -4.748 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.638 -4.516 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.515 -4.414 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.331 -2.823 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.921 -2.477 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.947 -1.202 9.358 1.00 0.00 H new ATOM 274 N GLY A 20 -11.890 -2.598 8.863 1.00 0.00 N ATOM 275 CA GLY A 20 -13.208 -2.625 9.547 1.00 0.00 C ATOM 276 C GLY A 20 -13.720 -4.034 9.752 1.00 0.00 C ATOM 277 O GLY A 20 -13.530 -4.918 8.941 1.00 0.00 O ATOM 0 H GLY A 20 -11.857 -3.026 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.124 -2.127 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.931 -2.060 8.959 1.00 0.00 H new ATOM 281 N GLN A 21 -14.412 -4.222 10.834 1.00 0.00 N ATOM 282 CA GLN A 21 -15.004 -5.550 11.120 1.00 0.00 C ATOM 283 C GLN A 21 -16.450 -5.525 10.632 1.00 0.00 C ATOM 284 O GLN A 21 -17.242 -4.691 11.045 1.00 0.00 O ATOM 285 CB GLN A 21 -14.921 -5.730 12.642 1.00 0.00 C ATOM 286 CG GLN A 21 -15.860 -4.747 13.349 1.00 0.00 C ATOM 287 CD GLN A 21 -15.414 -4.577 14.802 1.00 0.00 C ATOM 288 OE1 GLN A 21 -14.551 -3.644 15.100 1.00 0.00 O flip ATOM 289 NE2 GLN A 21 -15.857 -5.297 15.674 1.00 0.00 N flip ATOM 0 H GLN A 21 -14.594 -3.507 11.538 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.492 -6.374 10.624 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.188 -6.753 12.909 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -13.897 -5.570 12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.849 -3.784 12.838 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.885 -5.115 13.312 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.531 -6.026 15.440 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.555 -5.173 16.640 1.00 0.00 H new ATOM 298 N ARG A 22 -16.789 -6.411 9.737 1.00 0.00 N ATOM 299 CA ARG A 22 -18.169 -6.426 9.186 1.00 0.00 C ATOM 300 C ARG A 22 -19.077 -7.324 10.027 1.00 0.00 C ATOM 301 O ARG A 22 -20.015 -7.914 9.532 1.00 0.00 O ATOM 302 CB ARG A 22 -18.003 -6.964 7.764 1.00 0.00 C ATOM 303 CG ARG A 22 -19.357 -6.973 7.051 1.00 0.00 C ATOM 304 CD ARG A 22 -19.142 -6.757 5.551 1.00 0.00 C ATOM 305 NE ARG A 22 -19.860 -7.885 4.895 1.00 0.00 N ATOM 306 CZ ARG A 22 -21.000 -7.674 4.292 1.00 0.00 C ATOM 307 NH1 ARG A 22 -21.907 -6.920 4.853 1.00 0.00 N ATOM 308 NH2 ARG A 22 -21.235 -8.219 3.131 1.00 0.00 N ATOM 0 H ARG A 22 -16.166 -7.127 9.363 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.638 -5.442 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.295 -6.346 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.590 -7.972 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.865 -7.922 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.998 -6.189 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.540 -5.795 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.082 -6.764 5.299 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.461 -8.824 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.726 -6.495 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.797 -6.756 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.529 -8.810 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.125 -8.054 2.661 1.00 0.00 H new ATOM 322 N ILE A 23 -18.814 -7.410 11.303 1.00 0.00 N ATOM 323 CA ILE A 23 -19.653 -8.223 12.197 1.00 0.00 C ATOM 324 C ILE A 23 -20.352 -7.263 13.170 1.00 0.00 C ATOM 325 O ILE A 23 -21.473 -7.487 13.583 1.00 0.00 O ATOM 326 CB ILE A 23 -18.673 -9.216 12.866 1.00 0.00 C ATOM 327 CG1 ILE A 23 -19.348 -9.916 14.051 1.00 0.00 C ATOM 328 CG2 ILE A 23 -17.398 -8.503 13.332 1.00 0.00 C ATOM 329 CD1 ILE A 23 -19.562 -8.923 15.185 1.00 0.00 C ATOM 0 H ILE A 23 -18.035 -6.938 11.762 1.00 0.00 H new ATOM 0 HA ILE A 23 -20.446 -8.791 11.711 1.00 0.00 H new ATOM 0 HB ILE A 23 -18.394 -9.964 12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.304 -10.337 13.740 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.731 -10.746 14.394 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -16.727 -9.225 13.798 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -16.902 -8.048 12.475 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -17.657 -7.729 14.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.042 -9.427 16.024 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.600 -8.523 15.504 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.198 -8.108 14.840 1.00 0.00 H new ATOM 341 N THR A 24 -19.701 -6.180 13.524 1.00 0.00 N ATOM 342 CA THR A 24 -20.328 -5.190 14.448 1.00 0.00 C ATOM 343 C THR A 24 -20.528 -3.853 13.720 1.00 0.00 C ATOM 344 O THR A 24 -21.294 -3.013 14.148 1.00 0.00 O ATOM 345 CB THR A 24 -19.332 -5.026 15.602 1.00 0.00 C ATOM 346 OG1 THR A 24 -19.109 -6.283 16.222 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.892 -4.046 16.637 1.00 0.00 C ATOM 0 H THR A 24 -18.760 -5.941 13.210 1.00 0.00 H new ATOM 0 HA THR A 24 -21.306 -5.517 14.802 1.00 0.00 H new ATOM 0 HB THR A 24 -18.392 -4.640 15.208 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.471 -6.176 16.958 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.180 -3.934 17.454 1.00 0.00 H new ATOM 0 HG22 THR A 24 -20.060 -3.077 16.167 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.835 -4.429 17.027 1.00 0.00 H new ATOM 355 N GLY A 25 -19.853 -3.649 12.615 1.00 0.00 N ATOM 356 CA GLY A 25 -20.023 -2.366 11.872 1.00 0.00 C ATOM 357 C GLY A 25 -19.033 -1.322 12.398 1.00 0.00 C ATOM 358 O GLY A 25 -19.343 -0.150 12.475 1.00 0.00 O ATOM 0 H GLY A 25 -19.197 -4.311 12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.861 -2.529 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.044 -2.002 11.987 1.00 0.00 H new ATOM 362 N THR A 26 -17.858 -1.733 12.792 1.00 0.00 N ATOM 363 CA THR A 26 -16.876 -0.767 13.344 1.00 0.00 C ATOM 364 C THR A 26 -15.601 -0.748 12.492 1.00 0.00 C ATOM 365 O THR A 26 -15.347 -1.655 11.725 1.00 0.00 O ATOM 366 CB THR A 26 -16.575 -1.299 14.741 1.00 0.00 C ATOM 367 OG1 THR A 26 -17.160 -2.584 14.927 1.00 0.00 O ATOM 368 CG2 THR A 26 -17.141 -0.340 15.780 1.00 0.00 C ATOM 0 H THR A 26 -17.538 -2.701 12.754 1.00 0.00 H new ATOM 0 HA THR A 26 -17.256 0.255 13.356 1.00 0.00 H new ATOM 0 HB THR A 26 -15.494 -1.383 14.855 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.108 -2.833 15.873 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.927 -0.719 16.779 1.00 0.00 H new ATOM 0 HG22 THR A 26 -16.682 0.641 15.658 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.220 -0.255 15.648 1.00 0.00 H new ATOM 376 N ALA A 27 -14.796 0.285 12.607 1.00 0.00 N ATOM 377 CA ALA A 27 -13.555 0.338 11.778 1.00 0.00 C ATOM 378 C ALA A 27 -12.324 0.758 12.593 1.00 0.00 C ATOM 379 O ALA A 27 -12.350 1.706 13.350 1.00 0.00 O ATOM 380 CB ALA A 27 -13.837 1.374 10.687 1.00 0.00 C ATOM 0 H ALA A 27 -14.944 1.079 13.229 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.325 -0.649 11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.966 1.466 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.697 1.056 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.050 2.339 11.148 1.00 0.00 H new ATOM 386 N ARG A 28 -11.234 0.061 12.400 1.00 0.00 N ATOM 387 CA ARG A 28 -9.962 0.397 13.106 1.00 0.00 C ATOM 388 C ARG A 28 -9.083 1.209 12.146 1.00 0.00 C ATOM 389 O ARG A 28 -9.226 1.094 10.945 1.00 0.00 O ATOM 390 CB ARG A 28 -9.270 -0.941 13.450 1.00 0.00 C ATOM 391 CG ARG A 28 -10.293 -2.064 13.689 1.00 0.00 C ATOM 392 CD ARG A 28 -11.369 -1.590 14.673 1.00 0.00 C ATOM 393 NE ARG A 28 -11.462 -2.664 15.700 1.00 0.00 N ATOM 394 CZ ARG A 28 -10.504 -2.820 16.573 1.00 0.00 C ATOM 395 NH1 ARG A 28 -9.941 -1.776 17.120 1.00 0.00 N ATOM 396 NH2 ARG A 28 -10.111 -4.019 16.903 1.00 0.00 N ATOM 0 H ARG A 28 -11.171 -0.740 11.772 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.137 0.978 14.012 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.601 -1.225 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.654 -0.814 14.340 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.754 -2.355 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.791 -2.947 14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.096 -0.636 15.125 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.325 -1.443 14.170 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.276 -3.279 15.721 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.250 -0.838 16.865 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.193 -1.899 17.802 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.552 -4.835 16.479 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.362 -4.141 17.585 1.00 0.00 H new ATOM 410 N PRO A 29 -8.219 2.022 12.690 1.00 0.00 N ATOM 411 CA PRO A 29 -7.349 2.865 11.848 1.00 0.00 C ATOM 412 C PRO A 29 -6.010 2.180 11.533 1.00 0.00 C ATOM 413 O PRO A 29 -5.347 1.649 12.401 1.00 0.00 O ATOM 414 CB PRO A 29 -7.116 4.085 12.733 1.00 0.00 C ATOM 415 CG PRO A 29 -7.306 3.609 14.150 1.00 0.00 C ATOM 416 CD PRO A 29 -7.972 2.252 14.112 1.00 0.00 C ATOM 0 HA PRO A 29 -7.794 3.088 10.878 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.114 4.488 12.587 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.818 4.883 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.345 3.546 14.661 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.918 4.317 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.330 1.480 14.536 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.899 2.246 14.685 1.00 0.00 H new ATOM 424 N LEU A 30 -5.597 2.236 10.291 1.00 0.00 N ATOM 425 CA LEU A 30 -4.285 1.644 9.892 1.00 0.00 C ATOM 426 C LEU A 30 -3.275 2.800 9.819 1.00 0.00 C ATOM 427 O LEU A 30 -3.639 3.899 9.425 1.00 0.00 O ATOM 428 CB LEU A 30 -4.530 0.989 8.529 1.00 0.00 C ATOM 429 CG LEU A 30 -3.557 -0.183 8.336 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.207 -1.275 7.486 1.00 0.00 C ATOM 431 CD2 LEU A 30 -2.273 0.316 7.646 1.00 0.00 C ATOM 0 H LEU A 30 -6.119 2.671 9.530 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.891 0.899 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.559 0.635 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.395 1.721 7.733 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.306 -0.598 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.507 -2.100 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.106 -1.637 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.472 -0.867 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.585 -0.518 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.524 0.741 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.801 1.079 8.264 1.00 0.00 H new ATOM 443 N PRO A 31 -2.062 2.526 10.264 1.00 0.00 N ATOM 444 CA PRO A 31 -0.992 3.562 10.389 1.00 0.00 C ATOM 445 C PRO A 31 -0.903 4.580 9.255 1.00 0.00 C ATOM 446 O PRO A 31 -1.549 4.484 8.230 1.00 0.00 O ATOM 447 CB PRO A 31 0.281 2.732 10.608 1.00 0.00 C ATOM 448 CG PRO A 31 -0.099 1.378 10.126 1.00 0.00 C ATOM 449 CD PRO A 31 -1.515 1.218 10.619 1.00 0.00 C ATOM 0 HA PRO A 31 -1.199 4.245 11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.124 3.135 10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.574 2.717 11.658 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.041 1.307 9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.557 0.608 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.038 0.400 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.563 1.024 11.691 1.00 0.00 H new ATOM 457 N ALA A 32 -0.141 5.613 9.521 1.00 0.00 N ATOM 458 CA ALA A 32 0.003 6.764 8.585 1.00 0.00 C ATOM 459 C ALA A 32 0.658 6.412 7.255 1.00 0.00 C ATOM 460 O ALA A 32 1.526 5.572 7.147 1.00 0.00 O ATOM 461 CB ALA A 32 0.869 7.771 9.343 1.00 0.00 C ATOM 0 H ALA A 32 0.404 5.705 10.378 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.982 7.141 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.026 8.654 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.367 8.060 10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.832 7.318 9.579 1.00 0.00 H new ATOM 467 N ILE A 33 0.171 7.085 6.256 1.00 0.00 N ATOM 468 CA ILE A 33 0.608 6.936 4.846 1.00 0.00 C ATOM 469 C ILE A 33 2.109 7.074 4.596 1.00 0.00 C ATOM 470 O ILE A 33 2.521 7.808 3.733 1.00 0.00 O ATOM 471 CB ILE A 33 -0.174 8.029 4.132 1.00 0.00 C ATOM 472 CG1 ILE A 33 0.112 7.995 2.633 1.00 0.00 C ATOM 473 CG2 ILE A 33 0.211 9.390 4.713 1.00 0.00 C ATOM 474 CD1 ILE A 33 -1.168 7.614 1.887 1.00 0.00 C ATOM 0 H ILE A 33 -0.565 7.781 6.373 1.00 0.00 H new ATOM 0 HA ILE A 33 0.414 5.923 4.492 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.241 7.862 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.468 8.969 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.901 7.275 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.348 10.175 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.023 9.411 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.279 9.556 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.971 7.588 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.503 6.631 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.944 8.351 2.095 1.00 0.00 H new ATOM 486 N LYS A 34 2.920 6.310 5.264 1.00 0.00 N ATOM 487 CA LYS A 34 4.379 6.369 4.979 1.00 0.00 C ATOM 488 C LYS A 34 4.942 4.949 4.856 1.00 0.00 C ATOM 489 O LYS A 34 5.255 4.306 5.838 1.00 0.00 O ATOM 490 CB LYS A 34 4.992 7.099 6.174 1.00 0.00 C ATOM 491 CG LYS A 34 6.396 7.590 5.812 1.00 0.00 C ATOM 492 CD LYS A 34 6.294 8.884 5.005 1.00 0.00 C ATOM 493 CE LYS A 34 7.696 9.450 4.773 1.00 0.00 C ATOM 494 NZ LYS A 34 7.474 10.811 4.209 1.00 0.00 N ATOM 0 H LYS A 34 2.641 5.651 5.991 1.00 0.00 H new ATOM 0 HA LYS A 34 4.602 6.881 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.363 7.943 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.040 6.432 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.978 7.759 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.921 6.829 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.805 8.692 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.680 9.610 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.262 9.496 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.265 8.825 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.392 11.264 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.939 10.736 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.936 11.385 4.889 1.00 0.00 H new ATOM 508 N ALA A 35 5.066 4.454 3.652 1.00 0.00 N ATOM 509 CA ALA A 35 5.601 3.075 3.459 1.00 0.00 C ATOM 510 C ALA A 35 7.128 3.119 3.312 1.00 0.00 C ATOM 511 O ALA A 35 7.704 4.154 3.041 1.00 0.00 O ATOM 512 CB ALA A 35 4.933 2.571 2.177 1.00 0.00 C ATOM 0 H ALA A 35 4.819 4.946 2.794 1.00 0.00 H new ATOM 0 HA ALA A 35 5.391 2.419 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.274 1.558 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.851 2.569 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.198 3.226 1.347 1.00 0.00 H new ATOM 518 N GLN A 36 7.788 2.009 3.512 1.00 0.00 N ATOM 519 CA GLN A 36 9.280 1.994 3.409 1.00 0.00 C ATOM 520 C GLN A 36 9.741 1.796 1.961 1.00 0.00 C ATOM 521 O GLN A 36 9.431 0.809 1.329 1.00 0.00 O ATOM 522 CB GLN A 36 9.715 0.811 4.274 1.00 0.00 C ATOM 523 CG GLN A 36 9.322 1.074 5.727 1.00 0.00 C ATOM 524 CD GLN A 36 10.189 0.221 6.654 1.00 0.00 C ATOM 525 OE1 GLN A 36 11.208 -0.297 6.244 1.00 0.00 O ATOM 526 NE2 GLN A 36 9.826 0.051 7.896 1.00 0.00 N ATOM 0 H GLN A 36 7.360 1.112 3.742 1.00 0.00 H new ATOM 0 HA GLN A 36 9.716 2.938 3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.245 -0.106 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.793 0.667 4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.449 2.130 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.269 0.838 5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.970 0.486 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.398 -0.517 8.521 1.00 0.00 H new ATOM 535 N ASP A 37 10.492 2.726 1.433 1.00 0.00 N ATOM 536 CA ASP A 37 10.979 2.586 0.027 1.00 0.00 C ATOM 537 C ASP A 37 9.817 2.229 -0.904 1.00 0.00 C ATOM 538 O ASP A 37 9.996 1.598 -1.926 1.00 0.00 O ATOM 539 CB ASP A 37 11.995 1.443 0.076 1.00 0.00 C ATOM 540 CG ASP A 37 13.358 1.950 -0.398 1.00 0.00 C ATOM 541 OD1 ASP A 37 14.019 2.625 0.374 1.00 0.00 O ATOM 542 OD2 ASP A 37 13.719 1.654 -1.526 1.00 0.00 O ATOM 0 H ASP A 37 10.789 3.576 1.913 1.00 0.00 H new ATOM 0 HA ASP A 37 11.417 3.509 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.073 1.055 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.662 0.619 -0.555 1.00 0.00 H new ATOM 547 N GLY A 38 8.626 2.622 -0.548 1.00 0.00 N ATOM 548 CA GLY A 38 7.448 2.302 -1.401 1.00 0.00 C ATOM 549 C GLY A 38 6.852 0.962 -0.969 1.00 0.00 C ATOM 550 O GLY A 38 6.088 0.353 -1.691 1.00 0.00 O ATOM 0 H GLY A 38 8.417 3.152 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.699 3.089 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.746 2.258 -2.449 1.00 0.00 H new ATOM 554 N THR A 39 7.190 0.494 0.203 1.00 0.00 N ATOM 555 CA THR A 39 6.649 -0.793 0.679 1.00 0.00 C ATOM 556 C THR A 39 5.408 -0.546 1.545 1.00 0.00 C ATOM 557 O THR A 39 5.522 -0.056 2.651 1.00 0.00 O ATOM 558 CB THR A 39 7.787 -1.378 1.515 1.00 0.00 C ATOM 559 OG1 THR A 39 8.864 -1.741 0.661 1.00 0.00 O ATOM 560 CG2 THR A 39 7.295 -2.604 2.265 1.00 0.00 C ATOM 0 H THR A 39 7.825 0.960 0.851 1.00 0.00 H new ATOM 0 HA THR A 39 6.340 -1.458 -0.127 1.00 0.00 H new ATOM 0 HB THR A 39 8.128 -0.632 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.485 -0.987 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.109 -3.018 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.472 -2.323 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.950 -3.353 1.552 1.00 0.00 H new ATOM 568 N PRO A 40 4.262 -0.900 1.026 1.00 0.00 N ATOM 569 CA PRO A 40 3.007 -0.713 1.791 1.00 0.00 C ATOM 570 C PRO A 40 2.993 -1.677 2.974 1.00 0.00 C ATOM 571 O PRO A 40 3.648 -2.701 2.951 1.00 0.00 O ATOM 572 CB PRO A 40 1.915 -1.057 0.779 1.00 0.00 C ATOM 573 CG PRO A 40 2.584 -1.951 -0.213 1.00 0.00 C ATOM 574 CD PRO A 40 4.018 -1.503 -0.292 1.00 0.00 C ATOM 0 HA PRO A 40 2.881 0.289 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.074 -1.558 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.521 -0.160 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.520 -2.993 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.101 -1.880 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.690 -2.340 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.170 -0.784 -1.097 1.00 0.00 H new ATOM 582 N ASP A 41 2.260 -1.372 4.009 1.00 0.00 N ATOM 583 CA ASP A 41 2.233 -2.296 5.171 1.00 0.00 C ATOM 584 C ASP A 41 1.631 -3.615 4.734 1.00 0.00 C ATOM 585 O ASP A 41 0.440 -3.837 4.798 1.00 0.00 O ATOM 586 CB ASP A 41 1.353 -1.609 6.216 1.00 0.00 C ATOM 587 CG ASP A 41 2.234 -0.834 7.196 1.00 0.00 C ATOM 588 OD1 ASP A 41 3.334 -1.291 7.464 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.796 0.204 7.664 1.00 0.00 O ATOM 0 H ASP A 41 1.686 -0.533 4.098 1.00 0.00 H new ATOM 0 HA ASP A 41 3.224 -2.504 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.652 -0.932 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.760 -2.350 6.752 1.00 0.00 H new ATOM 594 N TRP A 42 2.473 -4.498 4.307 1.00 0.00 N ATOM 595 CA TRP A 42 2.010 -5.833 3.872 1.00 0.00 C ATOM 596 C TRP A 42 2.069 -6.778 5.069 1.00 0.00 C ATOM 597 O TRP A 42 1.399 -7.785 5.110 1.00 0.00 O ATOM 598 CB TRP A 42 3.003 -6.252 2.782 1.00 0.00 C ATOM 599 CG TRP A 42 2.798 -7.691 2.418 1.00 0.00 C ATOM 600 CD1 TRP A 42 1.616 -8.350 2.467 1.00 0.00 C ATOM 601 CD2 TRP A 42 3.784 -8.656 1.952 1.00 0.00 C ATOM 602 NE1 TRP A 42 1.817 -9.658 2.061 1.00 0.00 N ATOM 603 CE2 TRP A 42 3.137 -9.895 1.734 1.00 0.00 C ATOM 604 CE3 TRP A 42 5.165 -8.576 1.702 1.00 0.00 C ATOM 605 CZ2 TRP A 42 3.835 -11.015 1.281 1.00 0.00 C ATOM 606 CZ3 TRP A 42 5.872 -9.702 1.246 1.00 0.00 C ATOM 607 CH2 TRP A 42 5.208 -10.918 1.036 1.00 0.00 C ATOM 0 H TRP A 42 3.480 -4.350 4.239 1.00 0.00 H new ATOM 0 HA TRP A 42 0.987 -5.844 3.496 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.872 -5.624 1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.024 -6.100 3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.671 -7.925 2.773 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.080 -10.361 2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.686 -7.644 1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.318 -11.950 1.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.933 -9.630 1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.757 -11.780 0.685 1.00 0.00 H new ATOM 618 N ASN A 43 2.862 -6.453 6.054 1.00 0.00 N ATOM 619 CA ASN A 43 2.948 -7.333 7.252 1.00 0.00 C ATOM 620 C ASN A 43 1.785 -7.041 8.195 1.00 0.00 C ATOM 621 O ASN A 43 1.227 -7.927 8.811 1.00 0.00 O ATOM 622 CB ASN A 43 4.285 -6.990 7.910 1.00 0.00 C ATOM 623 CG ASN A 43 4.969 -8.274 8.382 1.00 0.00 C ATOM 624 OD1 ASN A 43 4.537 -8.892 9.336 1.00 0.00 O ATOM 625 ND2 ASN A 43 6.026 -8.708 7.750 1.00 0.00 N ATOM 0 H ASN A 43 3.451 -5.620 6.080 1.00 0.00 H new ATOM 0 HA ASN A 43 2.891 -8.391 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.926 -6.464 7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.125 -6.320 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.488 -9.564 8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.390 -8.191 6.950 1.00 0.00 H new ATOM 632 N ILE A 44 1.426 -5.796 8.311 1.00 0.00 N ATOM 633 CA ILE A 44 0.307 -5.415 9.212 1.00 0.00 C ATOM 634 C ILE A 44 -1.032 -5.842 8.597 1.00 0.00 C ATOM 635 O ILE A 44 -1.847 -6.476 9.242 1.00 0.00 O ATOM 636 CB ILE A 44 0.430 -3.884 9.329 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.473 -3.546 10.397 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.909 -3.256 9.727 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.873 -3.581 9.779 1.00 0.00 C ATOM 0 H ILE A 44 1.864 -5.019 7.816 1.00 0.00 H new ATOM 0 HA ILE A 44 0.349 -5.897 10.189 1.00 0.00 H new ATOM 0 HB ILE A 44 0.730 -3.485 8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.274 -2.559 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.410 -4.259 11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.795 -2.175 9.803 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.659 -3.490 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.227 -3.656 10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.614 -3.340 10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.071 -4.577 9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.933 -2.851 8.972 1.00 0.00 H new ATOM 651 N ILE A 45 -1.276 -5.495 7.363 1.00 0.00 N ATOM 652 CA ILE A 45 -2.570 -5.881 6.740 1.00 0.00 C ATOM 653 C ILE A 45 -2.629 -7.390 6.486 1.00 0.00 C ATOM 654 O ILE A 45 -3.586 -8.039 6.849 1.00 0.00 O ATOM 655 CB ILE A 45 -2.655 -5.101 5.433 1.00 0.00 C ATOM 656 CG1 ILE A 45 -2.654 -3.604 5.752 1.00 0.00 C ATOM 657 CG2 ILE A 45 -3.961 -5.464 4.717 1.00 0.00 C ATOM 658 CD1 ILE A 45 -2.017 -2.832 4.599 1.00 0.00 C ATOM 0 H ILE A 45 -0.641 -4.966 6.765 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.410 -5.649 7.394 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.806 -5.346 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.674 -3.257 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.103 -3.419 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.029 -4.910 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.976 -6.534 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.808 -5.207 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.018 -1.767 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.991 -3.171 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.587 -3.006 3.686 1.00 0.00 H new ATOM 670 N GLU A 46 -1.620 -7.968 5.878 1.00 0.00 N ATOM 671 CA GLU A 46 -1.666 -9.442 5.626 1.00 0.00 C ATOM 672 C GLU A 46 -1.930 -10.183 6.935 1.00 0.00 C ATOM 673 O GLU A 46 -2.580 -11.209 6.959 1.00 0.00 O ATOM 674 CB GLU A 46 -0.295 -9.811 5.062 1.00 0.00 C ATOM 675 CG GLU A 46 -0.323 -11.257 4.560 1.00 0.00 C ATOM 676 CD GLU A 46 0.405 -12.160 5.558 1.00 0.00 C ATOM 677 OE1 GLU A 46 0.329 -11.881 6.744 1.00 0.00 O ATOM 678 OE2 GLU A 46 1.025 -13.114 5.120 1.00 0.00 O ATOM 0 H GLU A 46 -0.780 -7.491 5.550 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.463 -9.715 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.032 -9.137 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.469 -9.696 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.354 -11.590 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.152 -11.322 3.581 1.00 0.00 H new ATOM 685 N ARG A 47 -1.443 -9.664 8.027 1.00 0.00 N ATOM 686 CA ARG A 47 -1.683 -10.333 9.333 1.00 0.00 C ATOM 687 C ARG A 47 -3.187 -10.388 9.606 1.00 0.00 C ATOM 688 O ARG A 47 -3.727 -11.415 9.969 1.00 0.00 O ATOM 689 CB ARG A 47 -0.977 -9.455 10.366 1.00 0.00 C ATOM 690 CG ARG A 47 0.451 -9.962 10.581 1.00 0.00 C ATOM 691 CD ARG A 47 1.188 -9.024 11.539 1.00 0.00 C ATOM 692 NE ARG A 47 1.919 -9.924 12.473 1.00 0.00 N ATOM 693 CZ ARG A 47 1.460 -10.129 13.677 1.00 0.00 C ATOM 694 NH1 ARG A 47 0.351 -10.798 13.847 1.00 0.00 N ATOM 695 NH2 ARG A 47 2.107 -9.667 14.711 1.00 0.00 N ATOM 0 H ARG A 47 -0.891 -8.808 8.071 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.310 -11.357 9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.959 -8.419 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.525 -9.472 11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.432 -10.973 10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.978 -10.012 9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.875 -8.371 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.491 -8.380 12.076 1.00 0.00 H new ATOM 0 HE ARG A 47 2.780 -10.381 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.155 -11.160 13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.009 -10.959 14.788 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.973 -9.145 14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.747 -9.828 15.652 1.00 0.00 H new ATOM 709 N LEU A 48 -3.871 -9.291 9.423 1.00 0.00 N ATOM 710 CA LEU A 48 -5.339 -9.277 9.658 1.00 0.00 C ATOM 711 C LEU A 48 -6.053 -9.825 8.408 1.00 0.00 C ATOM 712 O LEU A 48 -7.135 -10.370 8.489 1.00 0.00 O ATOM 713 CB LEU A 48 -5.634 -7.787 9.988 1.00 0.00 C ATOM 714 CG LEU A 48 -6.853 -7.206 9.249 1.00 0.00 C ATOM 715 CD1 LEU A 48 -6.546 -7.080 7.758 1.00 0.00 C ATOM 716 CD2 LEU A 48 -8.088 -8.087 9.465 1.00 0.00 C ATOM 0 H LEU A 48 -3.473 -8.402 9.120 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.697 -9.912 10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.794 -7.689 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.755 -7.191 9.741 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.066 -6.216 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.413 -6.668 7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.692 -6.418 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.314 -8.064 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.938 -7.658 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.891 -9.089 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.315 -8.141 10.530 1.00 0.00 H new ATOM 728 N LEU A 49 -5.456 -9.694 7.253 1.00 0.00 N ATOM 729 CA LEU A 49 -6.116 -10.211 6.019 1.00 0.00 C ATOM 730 C LEU A 49 -6.225 -11.740 6.047 1.00 0.00 C ATOM 731 O LEU A 49 -7.292 -12.296 5.885 1.00 0.00 O ATOM 732 CB LEU A 49 -5.213 -9.773 4.866 1.00 0.00 C ATOM 733 CG LEU A 49 -6.066 -9.174 3.749 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.812 -7.668 3.663 1.00 0.00 C ATOM 735 CD2 LEU A 49 -5.690 -9.832 2.421 1.00 0.00 C ATOM 0 H LEU A 49 -4.546 -9.255 7.111 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.131 -9.827 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.487 -9.039 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.648 -10.625 4.489 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.121 -9.350 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.421 -7.241 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.076 -7.200 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.758 -7.488 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.296 -9.408 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.635 -9.653 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.870 -10.905 2.483 1.00 0.00 H new ATOM 747 N LYS A 50 -5.130 -12.426 6.235 1.00 0.00 N ATOM 748 CA LYS A 50 -5.181 -13.918 6.251 1.00 0.00 C ATOM 749 C LYS A 50 -5.789 -14.431 7.560 1.00 0.00 C ATOM 750 O LYS A 50 -6.335 -15.515 7.615 1.00 0.00 O ATOM 751 CB LYS A 50 -3.726 -14.367 6.127 1.00 0.00 C ATOM 752 CG LYS A 50 -3.662 -15.681 5.345 1.00 0.00 C ATOM 753 CD LYS A 50 -2.334 -16.383 5.635 1.00 0.00 C ATOM 754 CE LYS A 50 -2.389 -17.819 5.110 1.00 0.00 C ATOM 755 NZ LYS A 50 -1.356 -17.877 4.039 1.00 0.00 N ATOM 0 H LYS A 50 -4.205 -12.020 6.378 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.803 -14.309 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.140 -13.601 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.289 -14.499 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.495 -16.325 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.757 -15.486 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.514 -15.843 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.138 -16.384 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.177 -18.537 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.378 -18.059 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.334 -18.833 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.587 -17.187 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.424 -17.651 4.443 1.00 0.00 H new ATOM 769 N GLU A 51 -5.694 -13.672 8.616 1.00 0.00 N ATOM 770 CA GLU A 51 -6.262 -14.136 9.915 1.00 0.00 C ATOM 771 C GLU A 51 -7.773 -13.883 9.969 1.00 0.00 C ATOM 772 O GLU A 51 -8.524 -14.679 10.495 1.00 0.00 O ATOM 773 CB GLU A 51 -5.541 -13.311 10.982 1.00 0.00 C ATOM 774 CG GLU A 51 -5.911 -13.837 12.372 1.00 0.00 C ATOM 775 CD GLU A 51 -5.465 -12.837 13.443 1.00 0.00 C ATOM 776 OE1 GLU A 51 -4.957 -11.788 13.079 1.00 0.00 O ATOM 777 OE2 GLU A 51 -5.638 -13.138 14.612 1.00 0.00 O ATOM 0 H GLU A 51 -5.250 -12.754 8.637 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.121 -15.207 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.463 -13.369 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.818 -12.261 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.988 -13.996 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.436 -14.803 12.543 1.00 0.00 H new ATOM 784 N TRP A 52 -8.225 -12.777 9.441 1.00 0.00 N ATOM 785 CA TRP A 52 -9.688 -12.482 9.483 1.00 0.00 C ATOM 786 C TRP A 52 -10.312 -12.586 8.088 1.00 0.00 C ATOM 787 O TRP A 52 -11.508 -12.745 7.949 1.00 0.00 O ATOM 788 CB TRP A 52 -9.783 -11.052 10.014 1.00 0.00 C ATOM 789 CG TRP A 52 -9.608 -11.069 11.497 1.00 0.00 C ATOM 790 CD1 TRP A 52 -8.650 -10.398 12.178 1.00 0.00 C ATOM 791 CD2 TRP A 52 -10.392 -11.784 12.491 1.00 0.00 C ATOM 792 NE1 TRP A 52 -8.799 -10.656 13.527 1.00 0.00 N ATOM 793 CE2 TRP A 52 -9.861 -11.507 13.772 1.00 0.00 C ATOM 794 CE3 TRP A 52 -11.506 -12.637 12.402 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -10.415 -12.060 14.927 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -12.067 -13.195 13.561 1.00 0.00 C ATOM 797 CH2 TRP A 52 -11.522 -12.908 14.822 1.00 0.00 C ATOM 0 H TRP A 52 -7.650 -12.069 8.985 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.228 -13.192 10.109 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -9.018 -10.428 9.552 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.748 -10.618 9.754 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.893 -9.765 11.739 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.199 -10.266 14.254 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -11.932 -12.864 11.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -9.992 -11.835 15.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -12.923 -13.849 13.482 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.957 -13.342 15.710 1.00 0.00 H new ATOM 808 N GLN A 53 -9.519 -12.492 7.053 1.00 0.00 N ATOM 809 CA GLN A 53 -10.079 -12.580 5.670 1.00 0.00 C ATOM 810 C GLN A 53 -11.164 -11.510 5.475 1.00 0.00 C ATOM 811 O GLN A 53 -12.280 -11.680 5.921 1.00 0.00 O ATOM 812 CB GLN A 53 -10.679 -13.984 5.566 1.00 0.00 C ATOM 813 CG GLN A 53 -9.831 -14.832 4.615 1.00 0.00 C ATOM 814 CD GLN A 53 -9.671 -16.242 5.190 1.00 0.00 C ATOM 815 OE1 GLN A 53 -10.450 -17.124 4.889 1.00 0.00 O ATOM 816 NE2 GLN A 53 -8.685 -16.493 6.007 1.00 0.00 N ATOM 0 H GLN A 53 -8.509 -12.358 7.104 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.321 -12.410 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.715 -14.449 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.705 -13.927 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.304 -14.880 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.853 -14.372 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.031 -15.752 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.568 -17.430 6.393 1.00 0.00 H new ATOM 825 N PRO A 54 -10.794 -10.431 4.823 1.00 0.00 N ATOM 826 CA PRO A 54 -11.751 -9.319 4.590 1.00 0.00 C ATOM 827 C PRO A 54 -12.803 -9.706 3.547 1.00 0.00 C ATOM 828 O PRO A 54 -12.493 -10.256 2.508 1.00 0.00 O ATOM 829 CB PRO A 54 -10.866 -8.187 4.072 1.00 0.00 C ATOM 830 CG PRO A 54 -9.675 -8.866 3.479 1.00 0.00 C ATOM 831 CD PRO A 54 -9.474 -10.147 4.244 1.00 0.00 C ATOM 0 HA PRO A 54 -12.308 -9.049 5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.389 -7.587 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.575 -7.513 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.834 -9.070 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.792 -8.230 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.144 -10.954 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.715 -10.034 5.018 1.00 0.00 H new ATOM 839 N ASP A 55 -14.044 -9.417 3.821 1.00 0.00 N ATOM 840 CA ASP A 55 -15.126 -9.759 2.854 1.00 0.00 C ATOM 841 C ASP A 55 -15.259 -8.670 1.780 1.00 0.00 C ATOM 842 O ASP A 55 -15.536 -8.956 0.632 1.00 0.00 O ATOM 843 CB ASP A 55 -16.400 -9.841 3.697 1.00 0.00 C ATOM 844 CG ASP A 55 -16.354 -11.097 4.570 1.00 0.00 C ATOM 845 OD1 ASP A 55 -15.281 -11.420 5.053 1.00 0.00 O ATOM 846 OD2 ASP A 55 -17.393 -11.714 4.740 1.00 0.00 O ATOM 0 H ASP A 55 -14.358 -8.957 4.676 1.00 0.00 H new ATOM 0 HA ASP A 55 -14.922 -10.691 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.493 -8.953 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.276 -9.867 3.049 1.00 0.00 H new ATOM 851 N GLU A 56 -15.065 -7.424 2.134 1.00 0.00 N ATOM 852 CA GLU A 56 -15.186 -6.336 1.119 1.00 0.00 C ATOM 853 C GLU A 56 -13.984 -5.395 1.226 1.00 0.00 C ATOM 854 O GLU A 56 -13.477 -5.157 2.305 1.00 0.00 O ATOM 855 CB GLU A 56 -16.478 -5.605 1.481 1.00 0.00 C ATOM 856 CG GLU A 56 -17.086 -4.987 0.222 1.00 0.00 C ATOM 857 CD GLU A 56 -18.434 -5.649 -0.072 1.00 0.00 C ATOM 858 OE1 GLU A 56 -19.320 -5.537 0.759 1.00 0.00 O ATOM 859 OE2 GLU A 56 -18.557 -6.258 -1.122 1.00 0.00 O ATOM 0 H GLU A 56 -14.829 -7.115 3.077 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.208 -6.714 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.185 -6.299 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.274 -4.828 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.218 -3.914 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.411 -5.120 -0.624 1.00 0.00 H new ATOM 866 N ILE A 57 -13.511 -4.863 0.128 1.00 0.00 N ATOM 867 CA ILE A 57 -12.334 -3.954 0.219 1.00 0.00 C ATOM 868 C ILE A 57 -12.555 -2.630 -0.524 1.00 0.00 C ATOM 869 O ILE A 57 -13.093 -2.584 -1.612 1.00 0.00 O ATOM 870 CB ILE A 57 -11.156 -4.715 -0.370 1.00 0.00 C ATOM 871 CG1 ILE A 57 -10.993 -6.052 0.362 1.00 0.00 C ATOM 872 CG2 ILE A 57 -9.904 -3.866 -0.168 1.00 0.00 C ATOM 873 CD1 ILE A 57 -11.780 -7.137 -0.375 1.00 0.00 C ATOM 0 H ILE A 57 -13.882 -5.016 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 57 -12.156 -3.678 1.258 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.318 -4.911 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.939 -6.324 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.350 -5.963 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.040 -4.387 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.027 -2.909 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.749 -3.695 0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.664 -8.088 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.835 -6.865 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.402 -7.232 -1.393 1.00 0.00 H new ATOM 885 N ILE A 58 -12.141 -1.548 0.085 1.00 0.00 N ATOM 886 CA ILE A 58 -12.299 -0.191 -0.520 1.00 0.00 C ATOM 887 C ILE A 58 -10.911 0.475 -0.584 1.00 0.00 C ATOM 888 O ILE A 58 -10.306 0.728 0.439 1.00 0.00 O ATOM 889 CB ILE A 58 -13.209 0.604 0.442 1.00 0.00 C ATOM 890 CG1 ILE A 58 -13.620 -0.219 1.687 1.00 0.00 C ATOM 891 CG2 ILE A 58 -14.463 1.073 -0.301 1.00 0.00 C ATOM 892 CD1 ILE A 58 -14.603 -1.319 1.303 1.00 0.00 C ATOM 0 H ILE A 58 -11.689 -1.549 0.999 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.724 -0.230 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.635 1.461 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.735 -0.659 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.073 0.437 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.102 1.633 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.174 1.713 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.007 0.207 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.880 -1.886 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.496 -0.873 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.137 -1.986 0.577 1.00 0.00 H new ATOM 904 N VAL A 59 -10.370 0.732 -1.753 1.00 0.00 N ATOM 905 CA VAL A 59 -8.999 1.335 -1.792 1.00 0.00 C ATOM 906 C VAL A 59 -8.858 2.503 -2.779 1.00 0.00 C ATOM 907 O VAL A 59 -9.522 2.562 -3.797 1.00 0.00 O ATOM 908 CB VAL A 59 -8.085 0.158 -2.145 1.00 0.00 C ATOM 909 CG1 VAL A 59 -7.979 -0.045 -3.664 1.00 0.00 C ATOM 910 CG2 VAL A 59 -6.689 0.413 -1.583 1.00 0.00 C ATOM 0 H VAL A 59 -10.805 0.556 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.744 1.797 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.518 -0.742 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.322 -0.889 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.969 -0.245 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.571 0.855 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.037 -0.424 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.285 1.329 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.746 0.516 -0.499 1.00 0.00 H new ATOM 920 N GLY A 60 -7.963 3.422 -2.491 1.00 0.00 N ATOM 921 CA GLY A 60 -7.745 4.562 -3.425 1.00 0.00 C ATOM 922 C GLY A 60 -7.267 5.814 -2.675 1.00 0.00 C ATOM 923 O GLY A 60 -7.733 6.126 -1.599 1.00 0.00 O ATOM 0 H GLY A 60 -7.381 3.427 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.008 4.283 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.672 4.784 -3.954 1.00 0.00 H new ATOM 927 N LEU A 61 -6.345 6.540 -3.256 1.00 0.00 N ATOM 928 CA LEU A 61 -5.851 7.797 -2.620 1.00 0.00 C ATOM 929 C LEU A 61 -6.494 8.990 -3.361 1.00 0.00 C ATOM 930 O LEU A 61 -6.429 9.067 -4.573 1.00 0.00 O ATOM 931 CB LEU A 61 -4.311 7.731 -2.786 1.00 0.00 C ATOM 932 CG LEU A 61 -3.650 9.105 -3.029 1.00 0.00 C ATOM 933 CD1 LEU A 61 -3.876 9.545 -4.476 1.00 0.00 C ATOM 934 CD2 LEU A 61 -4.218 10.152 -2.064 1.00 0.00 C ATOM 0 H LEU A 61 -5.911 6.313 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.107 7.914 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.878 7.283 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.073 7.071 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.579 9.014 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.407 10.515 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.437 8.811 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.946 9.623 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.741 11.114 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.293 10.244 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.024 9.843 -1.037 1.00 0.00 H new ATOM 1156 N ALA A 76 -5.586 5.968 -8.917 1.00 0.00 N ATOM 1157 CA ALA A 76 -6.041 5.329 -7.659 1.00 0.00 C ATOM 1158 C ALA A 76 -6.839 4.076 -8.012 1.00 0.00 C ATOM 1159 O ALA A 76 -6.741 3.054 -7.360 1.00 0.00 O ATOM 1160 CB ALA A 76 -6.921 6.369 -6.970 1.00 0.00 C ATOM 0 HA ALA A 76 -5.221 5.027 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.294 5.964 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.336 7.267 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.762 6.620 -7.616 1.00 0.00 H new ATOM 1166 N ARG A 77 -7.606 4.138 -9.069 1.00 0.00 N ATOM 1167 CA ARG A 77 -8.375 2.940 -9.486 1.00 0.00 C ATOM 1168 C ARG A 77 -7.390 1.806 -9.744 1.00 0.00 C ATOM 1169 O ARG A 77 -7.610 0.673 -9.366 1.00 0.00 O ATOM 1170 CB ARG A 77 -9.086 3.341 -10.778 1.00 0.00 C ATOM 1171 CG ARG A 77 -10.396 2.562 -10.902 1.00 0.00 C ATOM 1172 CD ARG A 77 -10.566 2.062 -12.339 1.00 0.00 C ATOM 1173 NE ARG A 77 -11.210 3.192 -13.067 1.00 0.00 N ATOM 1174 CZ ARG A 77 -11.389 3.121 -14.358 1.00 0.00 C ATOM 1175 NH1 ARG A 77 -12.339 2.369 -14.845 1.00 0.00 N ATOM 1176 NH2 ARG A 77 -10.621 3.801 -15.163 1.00 0.00 N ATOM 0 H ARG A 77 -7.730 4.963 -9.655 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.091 2.606 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.286 4.412 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.446 3.136 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.396 1.719 -10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.236 3.199 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.605 1.803 -12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.185 1.166 -12.374 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.511 4.022 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.941 1.837 -14.217 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.479 2.314 -15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.879 4.389 -14.784 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.762 3.744 -16.172 1.00 0.00 H new ATOM 1190 N LYS A 78 -6.289 2.116 -10.374 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.273 1.061 -10.638 1.00 0.00 C ATOM 1192 C LYS A 78 -4.863 0.401 -9.322 1.00 0.00 C ATOM 1193 O LYS A 78 -4.567 -0.777 -9.277 1.00 0.00 O ATOM 1194 CB LYS A 78 -4.087 1.786 -11.274 1.00 0.00 C ATOM 1195 CG LYS A 78 -3.316 0.812 -12.167 1.00 0.00 C ATOM 1196 CD LYS A 78 -2.828 1.541 -13.419 1.00 0.00 C ATOM 1197 CE LYS A 78 -3.820 1.314 -14.561 1.00 0.00 C ATOM 1198 NZ LYS A 78 -3.031 0.641 -15.629 1.00 0.00 N ATOM 0 H LYS A 78 -6.051 3.048 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.652 0.274 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.438 2.635 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.431 2.183 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.468 0.396 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.956 -0.025 -12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.728 2.607 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.841 1.177 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.657 0.695 -14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.238 2.257 -14.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.645 0.452 -16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.245 1.257 -15.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.651 -0.257 -15.267 1.00 0.00 H new ATOM 1212 N PHE A 79 -4.865 1.137 -8.237 1.00 0.00 N ATOM 1213 CA PHE A 79 -4.496 0.513 -6.932 1.00 0.00 C ATOM 1214 C PHE A 79 -5.443 -0.645 -6.681 1.00 0.00 C ATOM 1215 O PHE A 79 -5.039 -1.746 -6.362 1.00 0.00 O ATOM 1216 CB PHE A 79 -4.693 1.597 -5.868 1.00 0.00 C ATOM 1217 CG PHE A 79 -3.852 2.820 -6.159 1.00 0.00 C ATOM 1218 CD1 PHE A 79 -2.927 2.841 -7.216 1.00 0.00 C ATOM 1219 CD2 PHE A 79 -4.012 3.948 -5.355 1.00 0.00 C ATOM 1220 CE1 PHE A 79 -2.172 3.987 -7.461 1.00 0.00 C ATOM 1221 CE2 PHE A 79 -3.258 5.096 -5.601 1.00 0.00 C ATOM 1222 CZ PHE A 79 -2.337 5.119 -6.654 1.00 0.00 C ATOM 0 H PHE A 79 -5.103 2.128 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.471 0.142 -6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.745 1.879 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.430 1.198 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.801 1.968 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.721 3.933 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.460 4.002 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.386 5.968 -4.977 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.754 6.008 -6.844 1.00 0.00 H new ATOM 1232 N ALA A 80 -6.712 -0.402 -6.857 1.00 0.00 N ATOM 1233 CA ALA A 80 -7.704 -1.494 -6.665 1.00 0.00 C ATOM 1234 C ALA A 80 -7.320 -2.671 -7.562 1.00 0.00 C ATOM 1235 O ALA A 80 -7.478 -3.820 -7.201 1.00 0.00 O ATOM 1236 CB ALA A 80 -9.048 -0.901 -7.088 1.00 0.00 C ATOM 0 H ALA A 80 -7.103 0.501 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.744 -1.858 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.829 -1.652 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.278 -0.039 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.996 -0.589 -8.131 1.00 0.00 H new ATOM 1242 N ASN A 81 -6.785 -2.387 -8.722 1.00 0.00 N ATOM 1243 CA ASN A 81 -6.359 -3.485 -9.632 1.00 0.00 C ATOM 1244 C ASN A 81 -4.996 -4.015 -9.178 1.00 0.00 C ATOM 1245 O ASN A 81 -4.634 -5.143 -9.447 1.00 0.00 O ATOM 1246 CB ASN A 81 -6.251 -2.842 -11.016 1.00 0.00 C ATOM 1247 CG ASN A 81 -7.650 -2.642 -11.602 1.00 0.00 C ATOM 1248 OD1 ASN A 81 -8.366 -3.596 -11.837 1.00 0.00 O ATOM 1249 ND2 ASN A 81 -8.074 -1.432 -11.853 1.00 0.00 N ATOM 0 H ASN A 81 -6.626 -1.443 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.056 -4.323 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.736 -1.884 -10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.657 -3.474 -11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.005 -1.289 -12.246 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.475 -0.631 -11.656 1.00 0.00 H new ATOM 1256 N ARG A 82 -4.240 -3.203 -8.483 1.00 0.00 N ATOM 1257 CA ARG A 82 -2.901 -3.652 -8.003 1.00 0.00 C ATOM 1258 C ARG A 82 -3.058 -4.563 -6.785 1.00 0.00 C ATOM 1259 O ARG A 82 -2.604 -5.690 -6.782 1.00 0.00 O ATOM 1260 CB ARG A 82 -2.167 -2.369 -7.615 1.00 0.00 C ATOM 1261 CG ARG A 82 -1.341 -1.868 -8.800 1.00 0.00 C ATOM 1262 CD ARG A 82 -0.183 -1.008 -8.288 1.00 0.00 C ATOM 1263 NE ARG A 82 1.047 -1.670 -8.805 1.00 0.00 N ATOM 1264 CZ ARG A 82 2.211 -1.378 -8.290 1.00 0.00 C ATOM 1265 NH1 ARG A 82 2.591 -0.133 -8.198 1.00 0.00 N ATOM 1266 NH2 ARG A 82 2.996 -2.332 -7.869 1.00 0.00 N ATOM 0 H ARG A 82 -4.494 -2.249 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.360 -4.219 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.884 -1.606 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.518 -2.555 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.956 -2.713 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.969 -1.287 -9.475 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.262 0.017 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.178 -0.961 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 82 0.980 -2.351 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.979 0.613 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.500 0.094 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.700 -3.305 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.905 -2.104 -7.467 1.00 0.00 H new ATOM 1280 N ILE A 83 -3.702 -4.091 -5.749 1.00 0.00 N ATOM 1281 CA ILE A 83 -3.883 -4.946 -4.544 1.00 0.00 C ATOM 1282 C ILE A 83 -4.708 -6.185 -4.917 1.00 0.00 C ATOM 1283 O ILE A 83 -4.454 -7.280 -4.454 1.00 0.00 O ATOM 1284 CB ILE A 83 -4.639 -4.064 -3.540 1.00 0.00 C ATOM 1285 CG1 ILE A 83 -6.063 -3.822 -4.043 1.00 0.00 C ATOM 1286 CG2 ILE A 83 -3.924 -2.713 -3.384 1.00 0.00 C ATOM 1287 CD1 ILE A 83 -6.786 -2.882 -3.090 1.00 0.00 C ATOM 0 H ILE A 83 -4.107 -3.157 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.939 -5.301 -4.130 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.668 -4.571 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.038 -3.393 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.600 -4.768 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.467 -2.094 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.909 -2.878 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.888 -2.207 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.801 -2.710 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.823 -3.329 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.253 -1.933 -3.041 1.00 0.00 H new ATOM 1299 N HIS A 84 -5.697 -6.010 -5.754 1.00 0.00 N ATOM 1300 CA HIS A 84 -6.548 -7.162 -6.167 1.00 0.00 C ATOM 1301 C HIS A 84 -5.683 -8.241 -6.817 1.00 0.00 C ATOM 1302 O HIS A 84 -5.848 -9.417 -6.567 1.00 0.00 O ATOM 1303 CB HIS A 84 -7.533 -6.581 -7.182 1.00 0.00 C ATOM 1304 CG HIS A 84 -8.416 -7.675 -7.717 1.00 0.00 C ATOM 1305 ND1 HIS A 84 -8.598 -8.875 -7.049 1.00 0.00 N ATOM 1306 CD2 HIS A 84 -9.181 -7.760 -8.855 1.00 0.00 C ATOM 1307 CE1 HIS A 84 -9.443 -9.623 -7.781 1.00 0.00 C ATOM 1308 NE2 HIS A 84 -9.829 -8.992 -8.893 1.00 0.00 N ATOM 0 H HIS A 84 -5.952 -5.114 -6.170 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.060 -7.626 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.140 -5.808 -6.712 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.990 -6.107 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.267 -6.989 -9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.770 -10.614 -7.503 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.462 -9.338 -9.614 1.00 0.00 H new ATOM 1316 N GLY A 85 -4.757 -7.849 -7.645 1.00 0.00 N ATOM 1317 CA GLY A 85 -3.877 -8.852 -8.302 1.00 0.00 C ATOM 1318 C GLY A 85 -2.840 -9.357 -7.295 1.00 0.00 C ATOM 1319 O GLY A 85 -2.213 -10.378 -7.499 1.00 0.00 O ATOM 0 H GLY A 85 -4.572 -6.878 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.472 -9.685 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.378 -8.406 -9.162 1.00 0.00 H new ATOM 1323 N ARG A 86 -2.648 -8.651 -6.211 1.00 0.00 N ATOM 1324 CA ARG A 86 -1.646 -9.098 -5.202 1.00 0.00 C ATOM 1325 C ARG A 86 -2.220 -10.229 -4.343 1.00 0.00 C ATOM 1326 O ARG A 86 -1.559 -11.216 -4.087 1.00 0.00 O ATOM 1327 CB ARG A 86 -1.365 -7.864 -4.343 1.00 0.00 C ATOM 1328 CG ARG A 86 -0.017 -8.030 -3.640 1.00 0.00 C ATOM 1329 CD ARG A 86 0.791 -6.737 -3.770 1.00 0.00 C ATOM 1330 NE ARG A 86 1.311 -6.469 -2.400 1.00 0.00 N ATOM 1331 CZ ARG A 86 0.640 -5.703 -1.583 1.00 0.00 C ATOM 1332 NH1 ARG A 86 0.387 -4.465 -1.910 1.00 0.00 N ATOM 1333 NH2 ARG A 86 0.222 -6.175 -0.441 1.00 0.00 N ATOM 0 H ARG A 86 -3.140 -7.787 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.740 -9.484 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.355 -6.969 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.158 -7.732 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.171 -8.271 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.534 -8.861 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.605 -6.850 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.168 -5.916 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 86 2.193 -6.885 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.713 -4.097 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.137 -3.866 -1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.419 -7.143 -0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.302 -5.576 0.197 1.00 0.00 H new ATOM 1347 N PHE A 87 -3.440 -10.099 -3.890 1.00 0.00 N ATOM 1348 CA PHE A 87 -4.031 -11.180 -3.047 1.00 0.00 C ATOM 1349 C PHE A 87 -5.286 -11.762 -3.706 1.00 0.00 C ATOM 1350 O PHE A 87 -5.783 -12.795 -3.304 1.00 0.00 O ATOM 1351 CB PHE A 87 -4.384 -10.501 -1.724 1.00 0.00 C ATOM 1352 CG PHE A 87 -3.450 -10.992 -0.643 1.00 0.00 C ATOM 1353 CD1 PHE A 87 -2.081 -10.702 -0.714 1.00 0.00 C ATOM 1354 CD2 PHE A 87 -3.952 -11.739 0.429 1.00 0.00 C ATOM 1355 CE1 PHE A 87 -1.216 -11.159 0.287 1.00 0.00 C ATOM 1356 CE2 PHE A 87 -3.085 -12.196 1.430 1.00 0.00 C ATOM 1357 CZ PHE A 87 -1.718 -11.906 1.360 1.00 0.00 C ATOM 0 H PHE A 87 -4.048 -9.299 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.341 -12.012 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.304 -9.419 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.417 -10.720 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.693 -10.126 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.007 -11.963 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.161 -10.935 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.472 -12.773 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.051 -12.258 2.133 1.00 0.00 H new ATOM 1367 N GLY A 88 -5.809 -11.108 -4.708 1.00 0.00 N ATOM 1368 CA GLY A 88 -7.036 -11.630 -5.374 1.00 0.00 C ATOM 1369 C GLY A 88 -8.260 -11.209 -4.562 1.00 0.00 C ATOM 1370 O GLY A 88 -9.247 -11.914 -4.491 1.00 0.00 O ATOM 0 H GLY A 88 -5.441 -10.238 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.107 -11.242 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.990 -12.716 -5.450 1.00 0.00 H new ATOM 1374 N VAL A 89 -8.196 -10.063 -3.944 1.00 0.00 N ATOM 1375 CA VAL A 89 -9.345 -9.582 -3.122 1.00 0.00 C ATOM 1376 C VAL A 89 -10.296 -8.734 -3.967 1.00 0.00 C ATOM 1377 O VAL A 89 -9.910 -8.133 -4.951 1.00 0.00 O ATOM 1378 CB VAL A 89 -8.722 -8.742 -2.015 1.00 0.00 C ATOM 1379 CG1 VAL A 89 -7.790 -9.614 -1.172 1.00 0.00 C ATOM 1380 CG2 VAL A 89 -7.926 -7.605 -2.643 1.00 0.00 C ATOM 0 H VAL A 89 -7.393 -9.434 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.933 -10.409 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.506 -8.335 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.345 -9.011 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.358 -10.432 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.001 -10.021 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.476 -6.998 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.141 -8.017 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.590 -6.985 -3.245 1.00 0.00 H new ATOM 1390 N GLU A 90 -11.539 -8.688 -3.587 1.00 0.00 N ATOM 1391 CA GLU A 90 -12.534 -7.887 -4.359 1.00 0.00 C ATOM 1392 C GLU A 90 -12.599 -6.454 -3.826 1.00 0.00 C ATOM 1393 O GLU A 90 -13.464 -6.107 -3.042 1.00 0.00 O ATOM 1394 CB GLU A 90 -13.870 -8.599 -4.139 1.00 0.00 C ATOM 1395 CG GLU A 90 -14.931 -7.984 -5.053 1.00 0.00 C ATOM 1396 CD GLU A 90 -15.538 -9.075 -5.937 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -14.832 -10.018 -6.249 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -16.701 -8.948 -6.288 1.00 0.00 O ATOM 0 H GLU A 90 -11.914 -9.172 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.273 -7.818 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.766 -9.663 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.176 -8.508 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.710 -7.510 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.486 -7.205 -5.672 1.00 0.00 H new ATOM 1405 N VAL A 91 -11.687 -5.617 -4.238 1.00 0.00 N ATOM 1406 CA VAL A 91 -11.687 -4.225 -3.763 1.00 0.00 C ATOM 1407 C VAL A 91 -12.301 -3.292 -4.799 1.00 0.00 C ATOM 1408 O VAL A 91 -12.257 -3.531 -5.990 1.00 0.00 O ATOM 1409 CB VAL A 91 -10.225 -3.886 -3.540 1.00 0.00 C ATOM 1410 CG1 VAL A 91 -9.512 -3.829 -4.882 1.00 0.00 C ATOM 1411 CG2 VAL A 91 -10.136 -2.527 -2.872 1.00 0.00 C ATOM 0 H VAL A 91 -10.938 -5.850 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.281 -4.108 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.759 -4.644 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.461 -3.586 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.591 -4.797 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.973 -3.064 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.090 -2.271 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.596 -1.775 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.658 -2.557 -1.916 1.00 0.00 H new ATOM 1421 N LYS A 92 -12.853 -2.226 -4.336 1.00 0.00 N ATOM 1422 CA LYS A 92 -13.468 -1.228 -5.248 1.00 0.00 C ATOM 1423 C LYS A 92 -12.681 0.076 -5.157 1.00 0.00 C ATOM 1424 O LYS A 92 -12.056 0.362 -4.155 1.00 0.00 O ATOM 1425 CB LYS A 92 -14.893 -1.039 -4.729 1.00 0.00 C ATOM 1426 CG LYS A 92 -15.883 -1.214 -5.881 1.00 0.00 C ATOM 1427 CD LYS A 92 -17.292 -1.405 -5.319 1.00 0.00 C ATOM 1428 CE LYS A 92 -18.018 -0.057 -5.297 1.00 0.00 C ATOM 1429 NZ LYS A 92 -18.973 -0.118 -6.438 1.00 0.00 N ATOM 0 H LYS A 92 -12.910 -1.991 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.465 -1.543 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.103 -1.763 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.003 -0.048 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.856 -0.341 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.602 -2.075 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.845 -2.119 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.241 -1.819 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.540 0.095 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.318 0.771 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.509 0.771 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.447 -0.257 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -19.631 -0.911 -6.298 1.00 0.00 H new ATOM 1443 N LEU A 93 -12.698 0.870 -6.185 1.00 0.00 N ATOM 1444 CA LEU A 93 -11.945 2.145 -6.142 1.00 0.00 C ATOM 1445 C LEU A 93 -12.879 3.257 -5.653 1.00 0.00 C ATOM 1446 O LEU A 93 -14.031 3.326 -6.035 1.00 0.00 O ATOM 1447 CB LEU A 93 -11.470 2.335 -7.602 1.00 0.00 C ATOM 1448 CG LEU A 93 -11.319 3.815 -7.995 1.00 0.00 C ATOM 1449 CD1 LEU A 93 -12.701 4.403 -8.271 1.00 0.00 C ATOM 1450 CD2 LEU A 93 -10.625 4.604 -6.877 1.00 0.00 C ATOM 0 H LEU A 93 -13.202 0.690 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.096 2.158 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.514 1.829 -7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.181 1.856 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.704 3.885 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.601 5.452 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.174 3.854 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.316 4.323 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.528 5.648 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.218 4.540 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.635 4.185 -6.696 1.00 0.00 H new ATOM 1462 N HIS A 94 -12.396 4.123 -4.808 1.00 0.00 N ATOM 1463 CA HIS A 94 -13.268 5.220 -4.298 1.00 0.00 C ATOM 1464 C HIS A 94 -13.347 6.344 -5.335 1.00 0.00 C ATOM 1465 O HIS A 94 -12.428 7.123 -5.497 1.00 0.00 O ATOM 1466 CB HIS A 94 -12.585 5.714 -3.023 1.00 0.00 C ATOM 1467 CG HIS A 94 -13.527 6.608 -2.265 1.00 0.00 C ATOM 1468 ND1 HIS A 94 -14.895 6.390 -2.241 1.00 0.00 N ATOM 1469 CD2 HIS A 94 -13.314 7.730 -1.501 1.00 0.00 C ATOM 1470 CE1 HIS A 94 -15.449 7.358 -1.487 1.00 0.00 C ATOM 1471 NE2 HIS A 94 -14.529 8.201 -1.011 1.00 0.00 N ATOM 0 H HIS A 94 -11.441 4.121 -4.449 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.287 4.885 -4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.292 4.867 -2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -11.673 6.257 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.350 8.178 -1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.508 7.442 -1.291 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.683 9.015 -0.416 1.00 0.00 H new ATOM 1909 N SER A 123 -4.642 8.925 6.978 1.00 0.00 N ATOM 1910 CA SER A 123 -5.230 7.709 7.633 1.00 0.00 C ATOM 1911 C SER A 123 -6.756 7.823 7.742 1.00 0.00 C ATOM 1912 O SER A 123 -7.485 7.007 7.213 1.00 0.00 O ATOM 1913 CB SER A 123 -4.598 7.639 9.026 1.00 0.00 C ATOM 1914 OG SER A 123 -4.394 6.277 9.380 1.00 0.00 O ATOM 0 HA SER A 123 -5.026 6.811 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.649 8.175 9.035 1.00 0.00 H new ATOM 0 HB3 SER A 123 -5.245 8.124 9.757 1.00 0.00 H new ATOM 0 HG SER A 123 -3.715 5.884 8.792 1.00 0.00 H new ATOM 1920 N ALA A 124 -7.245 8.817 8.428 1.00 0.00 N ATOM 1921 CA ALA A 124 -8.724 8.973 8.577 1.00 0.00 C ATOM 1922 C ALA A 124 -9.426 8.852 7.220 1.00 0.00 C ATOM 1923 O ALA A 124 -10.563 8.435 7.135 1.00 0.00 O ATOM 1924 CB ALA A 124 -8.911 10.380 9.145 1.00 0.00 C ATOM 0 H ALA A 124 -6.686 9.531 8.894 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.152 8.203 9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.974 10.577 9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.398 10.457 10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.495 11.111 8.451 1.00 0.00 H new ATOM 1930 N SER A 125 -8.761 9.227 6.164 1.00 0.00 N ATOM 1931 CA SER A 125 -9.391 9.154 4.813 1.00 0.00 C ATOM 1932 C SER A 125 -9.915 7.742 4.511 1.00 0.00 C ATOM 1933 O SER A 125 -10.915 7.580 3.841 1.00 0.00 O ATOM 1934 CB SER A 125 -8.275 9.536 3.844 1.00 0.00 C ATOM 1935 OG SER A 125 -7.156 8.684 4.058 1.00 0.00 O ATOM 0 H SER A 125 -7.805 9.582 6.176 1.00 0.00 H new ATOM 0 HA SER A 125 -10.255 9.814 4.734 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.624 9.446 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.988 10.577 3.993 1.00 0.00 H new ATOM 0 HG SER A 125 -6.348 9.110 3.703 1.00 0.00 H new ATOM 1941 N ALA A 126 -9.261 6.721 4.996 1.00 0.00 N ATOM 1942 CA ALA A 126 -9.742 5.335 4.725 1.00 0.00 C ATOM 1943 C ALA A 126 -10.924 5.028 5.631 1.00 0.00 C ATOM 1944 O ALA A 126 -12.003 4.710 5.178 1.00 0.00 O ATOM 1945 CB ALA A 126 -8.570 4.430 5.060 1.00 0.00 C ATOM 0 H ALA A 126 -8.418 6.786 5.566 1.00 0.00 H new ATOM 0 HA ALA A 126 -10.069 5.200 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.850 3.391 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.719 4.688 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.298 4.560 6.107 1.00 0.00 H new ATOM 1951 N VAL A 127 -10.747 5.164 6.919 1.00 0.00 N ATOM 1952 CA VAL A 127 -11.906 4.927 7.840 1.00 0.00 C ATOM 1953 C VAL A 127 -13.062 5.823 7.341 1.00 0.00 C ATOM 1954 O VAL A 127 -14.224 5.510 7.510 1.00 0.00 O ATOM 1955 CB VAL A 127 -11.444 5.225 9.306 1.00 0.00 C ATOM 1956 CG1 VAL A 127 -10.176 6.081 9.371 1.00 0.00 C ATOM 1957 CG2 VAL A 127 -12.552 5.924 10.094 1.00 0.00 C ATOM 0 H VAL A 127 -9.870 5.424 7.370 1.00 0.00 H new ATOM 0 HA VAL A 127 -12.261 3.897 7.841 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.219 4.255 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -9.906 6.253 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.361 5.563 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -10.357 7.037 8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -12.208 6.121 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -12.805 6.866 9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -13.434 5.284 10.127 1.00 0.00 H new ATOM 1967 N ILE A 128 -12.733 6.893 6.642 1.00 0.00 N ATOM 1968 CA ILE A 128 -13.794 7.747 6.039 1.00 0.00 C ATOM 1969 C ILE A 128 -14.282 6.979 4.801 1.00 0.00 C ATOM 1970 O ILE A 128 -15.467 6.775 4.607 1.00 0.00 O ATOM 1971 CB ILE A 128 -13.102 9.086 5.690 1.00 0.00 C ATOM 1972 CG1 ILE A 128 -13.392 10.105 6.799 1.00 0.00 C ATOM 1973 CG2 ILE A 128 -13.623 9.657 4.359 1.00 0.00 C ATOM 1974 CD1 ILE A 128 -12.836 9.603 8.133 1.00 0.00 C ATOM 0 H ILE A 128 -11.777 7.203 6.469 1.00 0.00 H new ATOM 0 HA ILE A 128 -14.652 7.959 6.677 1.00 0.00 H new ATOM 0 HB ILE A 128 -12.032 8.900 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -12.943 11.066 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -14.467 10.268 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -13.116 10.598 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -13.426 8.946 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -14.696 9.832 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -13.047 10.334 8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -13.306 8.653 8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -11.758 9.464 8.049 1.00 0.00 H new ATOM 1986 N ILE A 129 -13.359 6.470 4.004 1.00 0.00 N ATOM 1987 CA ILE A 129 -13.766 5.626 2.835 1.00 0.00 C ATOM 1988 C ILE A 129 -14.667 4.518 3.397 1.00 0.00 C ATOM 1989 O ILE A 129 -15.563 4.014 2.746 1.00 0.00 O ATOM 1990 CB ILE A 129 -12.447 5.061 2.262 1.00 0.00 C ATOM 1991 CG1 ILE A 129 -11.797 6.110 1.362 1.00 0.00 C ATOM 1992 CG2 ILE A 129 -12.684 3.783 1.439 1.00 0.00 C ATOM 1993 CD1 ILE A 129 -10.399 5.634 0.972 1.00 0.00 C ATOM 0 H ILE A 129 -12.354 6.604 4.115 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.309 6.155 2.052 1.00 0.00 H new ATOM 0 HB ILE A 129 -11.798 4.814 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -12.403 6.268 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -11.738 7.067 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -11.732 3.417 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -13.136 3.020 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -13.352 4.005 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -9.928 6.377 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -9.797 5.497 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -10.473 4.687 0.438 1.00 0.00 H new ATOM 2005 N LEU A 130 -14.440 4.186 4.647 1.00 0.00 N ATOM 2006 CA LEU A 130 -15.269 3.168 5.334 1.00 0.00 C ATOM 2007 C LEU A 130 -16.679 3.717 5.510 1.00 0.00 C ATOM 2008 O LEU A 130 -17.656 3.017 5.340 1.00 0.00 O ATOM 2009 CB LEU A 130 -14.606 2.992 6.702 1.00 0.00 C ATOM 2010 CG LEU A 130 -14.301 1.518 6.963 1.00 0.00 C ATOM 2011 CD1 LEU A 130 -15.535 0.682 6.689 1.00 0.00 C ATOM 2012 CD2 LEU A 130 -13.189 1.051 6.043 1.00 0.00 C ATOM 0 H LEU A 130 -13.700 4.590 5.222 1.00 0.00 H new ATOM 0 HA LEU A 130 -15.337 2.229 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -13.685 3.573 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -15.262 3.378 7.483 1.00 0.00 H new ATOM 0 HG LEU A 130 -13.996 1.404 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -15.312 -0.368 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -16.345 1.004 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -15.837 0.809 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -12.976 -0.001 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -13.499 1.176 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.292 1.642 6.227 1.00 0.00 H new ATOM 2024 N GLU A 131 -16.792 4.983 5.837 1.00 0.00 N ATOM 2025 CA GLU A 131 -18.142 5.592 6.005 1.00 0.00 C ATOM 2026 C GLU A 131 -18.976 5.269 4.768 1.00 0.00 C ATOM 2027 O GLU A 131 -20.167 5.041 4.843 1.00 0.00 O ATOM 2028 CB GLU A 131 -17.897 7.098 6.119 1.00 0.00 C ATOM 2029 CG GLU A 131 -18.908 7.708 7.092 1.00 0.00 C ATOM 2030 CD GLU A 131 -19.363 9.072 6.569 1.00 0.00 C ATOM 2031 OE1 GLU A 131 -19.858 9.122 5.455 1.00 0.00 O ATOM 2032 OE2 GLU A 131 -19.210 10.043 7.291 1.00 0.00 O ATOM 0 H GLU A 131 -16.008 5.616 5.994 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.676 5.217 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.882 7.287 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.990 7.567 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.766 7.045 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.458 7.817 8.079 1.00 0.00 H new ATOM 2039 N SER A 132 -18.337 5.211 3.631 1.00 0.00 N ATOM 2040 CA SER A 132 -19.075 4.860 2.387 1.00 0.00 C ATOM 2041 C SER A 132 -19.432 3.370 2.434 1.00 0.00 C ATOM 2042 O SER A 132 -20.455 2.943 1.935 1.00 0.00 O ATOM 2043 CB SER A 132 -18.100 5.150 1.246 1.00 0.00 C ATOM 2044 OG SER A 132 -18.397 6.423 0.689 1.00 0.00 O ATOM 0 H SER A 132 -17.340 5.391 3.511 1.00 0.00 H new ATOM 0 HA SER A 132 -20.001 5.422 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 132 -17.074 5.132 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 132 -18.177 4.378 0.481 1.00 0.00 H new ATOM 0 HG SER A 132 -17.884 6.546 -0.137 1.00 0.00 H new ATOM 2050 N TYR A 133 -18.589 2.584 3.051 1.00 0.00 N ATOM 2051 CA TYR A 133 -18.853 1.118 3.164 1.00 0.00 C ATOM 2052 C TYR A 133 -19.943 0.866 4.219 1.00 0.00 C ATOM 2053 O TYR A 133 -20.941 0.225 3.950 1.00 0.00 O ATOM 2054 CB TYR A 133 -17.497 0.526 3.589 1.00 0.00 C ATOM 2055 CG TYR A 133 -17.670 -0.792 4.322 1.00 0.00 C ATOM 2056 CD1 TYR A 133 -17.938 -0.796 5.697 1.00 0.00 C ATOM 2057 CD2 TYR A 133 -17.562 -2.004 3.629 1.00 0.00 C ATOM 2058 CE1 TYR A 133 -18.105 -2.009 6.375 1.00 0.00 C ATOM 2059 CE2 TYR A 133 -17.724 -3.217 4.311 1.00 0.00 C ATOM 2060 CZ TYR A 133 -17.999 -3.218 5.685 1.00 0.00 C ATOM 2061 OH TYR A 133 -18.174 -4.409 6.358 1.00 0.00 O ATOM 0 H TYR A 133 -17.721 2.898 3.485 1.00 0.00 H new ATOM 0 HA TYR A 133 -19.216 0.667 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -16.873 0.374 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -16.975 1.235 4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -18.016 0.138 6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -17.354 -2.004 2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -18.316 -2.010 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -17.637 -4.152 3.777 1.00 0.00 H new ATOM 0 HH TYR A 133 -17.891 -4.303 7.290 1.00 0.00 H new ATOM 2071 N PHE A 134 -19.760 1.360 5.417 1.00 0.00 N ATOM 2072 CA PHE A 134 -20.790 1.140 6.476 1.00 0.00 C ATOM 2073 C PHE A 134 -22.163 1.564 5.951 1.00 0.00 C ATOM 2074 O PHE A 134 -23.184 1.033 6.341 1.00 0.00 O ATOM 2075 CB PHE A 134 -20.359 2.025 7.649 1.00 0.00 C ATOM 2076 CG PHE A 134 -19.106 1.457 8.276 1.00 0.00 C ATOM 2077 CD1 PHE A 134 -19.049 0.101 8.622 1.00 0.00 C ATOM 2078 CD2 PHE A 134 -17.998 2.282 8.506 1.00 0.00 C ATOM 2079 CE1 PHE A 134 -17.886 -0.429 9.193 1.00 0.00 C ATOM 2080 CE2 PHE A 134 -16.834 1.752 9.081 1.00 0.00 C ATOM 2081 CZ PHE A 134 -16.779 0.395 9.423 1.00 0.00 C ATOM 0 H PHE A 134 -18.947 1.903 5.706 1.00 0.00 H new ATOM 0 HA PHE A 134 -20.867 0.094 6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -20.176 3.042 7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -21.157 2.079 8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -19.903 -0.536 8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -18.040 3.328 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.843 -1.476 9.456 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.981 2.390 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 134 -15.883 -0.015 9.864 1.00 0.00 H new ATOM 2091 N GLU A 135 -22.187 2.509 5.052 1.00 0.00 N ATOM 2092 CA GLU A 135 -23.484 2.959 4.479 1.00 0.00 C ATOM 2093 C GLU A 135 -23.931 1.984 3.387 1.00 0.00 C ATOM 2094 O GLU A 135 -25.098 1.896 3.060 1.00 0.00 O ATOM 2095 CB GLU A 135 -23.200 4.338 3.883 1.00 0.00 C ATOM 2096 CG GLU A 135 -24.034 5.396 4.612 1.00 0.00 C ATOM 2097 CD GLU A 135 -24.930 6.120 3.606 1.00 0.00 C ATOM 2098 OE1 GLU A 135 -25.350 5.486 2.652 1.00 0.00 O ATOM 2099 OE2 GLU A 135 -25.181 7.297 3.805 1.00 0.00 O ATOM 0 H GLU A 135 -21.363 2.989 4.690 1.00 0.00 H new ATOM 0 HA GLU A 135 -24.279 2.998 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -22.139 4.572 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -23.439 4.342 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -24.642 4.926 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -23.379 6.110 5.112 1.00 0.00 H new