USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 ASN : amide:sc= -7.63! C(o=-5.7!,f=-18!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 138:sc= 1.98 (180deg=-2.02) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 1.45 (180deg=0.878) USER MOD Single : A 4 SER OG : rot 26:sc= 0.494 USER MOD Single : A 5 MET CE :methyl 154:sc= -0.213 (180deg=-0.997) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 9 SER OG : rot 180:sc= 0.013 USER MOD Single : A 23 MET CE :methyl 177:sc= -0.358 (180deg=-0.416) USER MOD Single : A 34 ASN : amide:sc= 0.0371 K(o=0.037,f=-12!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.922 K(o=0.92,f=-0.63) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 161:sc= -0.124 (180deg=-0.731) USER MOD Single : A 60 THR OG1 : rot 80:sc= 0.893 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00696 USER MOD Single : A 63 SER OG : rot -31:sc= 0.559 USER MOD Single : A 66 CYS SG : rot 60:sc= -4.76! USER MOD Single : A 69 THR OG1 : rot 134:sc= 1.34 USER MOD Single : A 75 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.036) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 162:sc= 0.774 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0.13 K(o=0.13,f=-0.54) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0371 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.753 -9.410 7.915 1.00 13.00 N ATOM 2 CA GLY A 1 12.748 -9.992 6.978 1.00 45.03 C ATOM 3 C GLY A 1 13.424 -8.932 6.128 1.00 22.42 C ATOM 4 O GLY A 1 13.118 -7.747 6.261 1.00 52.12 O ATOM 0 H1 GLY A 1 11.467 -10.130 8.609 1.00 13.00 H new ATOM 0 H2 GLY A 1 12.176 -8.600 8.411 1.00 13.00 H new ATOM 0 H3 GLY A 1 10.919 -9.092 7.382 1.00 13.00 H new ATOM 0 HA2 GLY A 1 13.503 -10.537 7.545 1.00 45.03 H new ATOM 0 HA3 GLY A 1 12.254 -10.715 6.329 1.00 45.03 H new ATOM 10 N PRO A 2 14.344 -9.331 5.226 1.00 14.31 N ATOM 11 CA PRO A 2 15.078 -8.383 4.371 1.00 13.24 C ATOM 12 C PRO A 2 14.154 -7.639 3.401 1.00 55.43 C ATOM 13 O PRO A 2 14.516 -6.591 2.861 1.00 52.55 O ATOM 14 CB PRO A 2 16.071 -9.276 3.608 1.00 34.14 C ATOM 15 CG PRO A 2 15.467 -10.641 3.649 1.00 23.44 C ATOM 16 CD PRO A 2 14.740 -10.730 4.965 1.00 64.21 C ATOM 0 HA PRO A 2 15.562 -7.599 4.953 1.00 13.24 H new ATOM 0 HB2 PRO A 2 16.204 -8.933 2.582 1.00 34.14 H new ATOM 0 HB3 PRO A 2 17.055 -9.265 4.078 1.00 34.14 H new ATOM 0 HG2 PRO A 2 14.783 -10.791 2.814 1.00 23.44 H new ATOM 0 HG3 PRO A 2 16.235 -11.411 3.574 1.00 23.44 H new ATOM 0 HD2 PRO A 2 13.874 -11.389 4.903 1.00 64.21 H new ATOM 0 HD3 PRO A 2 15.382 -11.121 5.754 1.00 64.21 H new ATOM 24 N GLY A 3 12.966 -8.196 3.180 1.00 53.44 N ATOM 25 CA GLY A 3 11.987 -7.575 2.303 1.00 74.14 C ATOM 26 C GLY A 3 11.120 -8.606 1.611 1.00 22.45 C ATOM 27 O GLY A 3 9.891 -8.535 1.672 1.00 12.15 O ATOM 0 H GLY A 3 12.662 -9.075 3.597 1.00 53.44 H new ATOM 0 HA2 GLY A 3 11.357 -6.899 2.882 1.00 74.14 H new ATOM 0 HA3 GLY A 3 12.500 -6.970 1.555 1.00 74.14 H new ATOM 31 N SER A 4 11.773 -9.573 0.960 1.00 2.30 N ATOM 32 CA SER A 4 11.092 -10.661 0.249 1.00 73.22 C ATOM 33 C SER A 4 9.981 -10.125 -0.664 1.00 1.34 C ATOM 34 O SER A 4 8.880 -10.681 -0.724 1.00 14.34 O ATOM 35 CB SER A 4 10.548 -11.703 1.248 1.00 72.31 C ATOM 36 OG SER A 4 9.810 -11.099 2.299 1.00 0.14 O ATOM 0 H SER A 4 12.791 -9.624 0.911 1.00 2.30 H new ATOM 0 HA SER A 4 11.822 -11.156 -0.391 1.00 73.22 H new ATOM 0 HB2 SER A 4 9.912 -12.413 0.720 1.00 72.31 H new ATOM 0 HB3 SER A 4 11.379 -12.270 1.668 1.00 72.31 H new ATOM 0 HG SER A 4 9.438 -10.247 1.990 1.00 0.14 H new ATOM 42 N MET A 5 10.295 -9.047 -1.387 1.00 22.33 N ATOM 43 CA MET A 5 9.340 -8.406 -2.293 1.00 63.12 C ATOM 44 C MET A 5 9.077 -9.285 -3.525 1.00 41.45 C ATOM 45 O MET A 5 9.480 -10.451 -3.565 1.00 15.32 O ATOM 46 CB MET A 5 9.853 -7.023 -2.726 1.00 71.05 C ATOM 47 CG MET A 5 10.122 -6.056 -1.578 1.00 32.00 C ATOM 48 SD MET A 5 11.652 -6.423 -0.695 1.00 42.54 S ATOM 49 CE MET A 5 12.865 -6.167 -1.994 1.00 75.11 C ATOM 0 H MET A 5 11.210 -8.598 -1.361 1.00 22.33 H new ATOM 0 HA MET A 5 8.400 -8.279 -1.756 1.00 63.12 H new ATOM 0 HB2 MET A 5 10.773 -7.154 -3.296 1.00 71.05 H new ATOM 0 HB3 MET A 5 9.122 -6.573 -3.398 1.00 71.05 H new ATOM 0 HG2 MET A 5 10.169 -5.040 -1.969 1.00 32.00 H new ATOM 0 HG3 MET A 5 9.287 -6.090 -0.878 1.00 32.00 H new ATOM 0 HE1 MET A 5 13.823 -5.899 -1.549 1.00 75.11 H new ATOM 0 HE2 MET A 5 12.977 -7.084 -2.573 1.00 75.11 H new ATOM 0 HE3 MET A 5 12.532 -5.363 -2.650 1.00 75.11 H new ATOM 59 N SER A 6 8.409 -8.726 -4.534 1.00 74.33 N ATOM 60 CA SER A 6 7.999 -9.500 -5.704 1.00 53.03 C ATOM 61 C SER A 6 8.326 -8.759 -7.002 1.00 52.12 C ATOM 62 O SER A 6 9.138 -9.224 -7.805 1.00 3.22 O ATOM 63 CB SER A 6 6.494 -9.795 -5.629 1.00 15.32 C ATOM 64 OG SER A 6 6.146 -10.397 -4.390 1.00 42.31 O ATOM 0 H SER A 6 8.141 -7.742 -4.564 1.00 74.33 H new ATOM 0 HA SER A 6 8.554 -10.438 -5.705 1.00 53.03 H new ATOM 0 HB2 SER A 6 5.933 -8.869 -5.756 1.00 15.32 H new ATOM 0 HB3 SER A 6 6.209 -10.455 -6.449 1.00 15.32 H new ATOM 0 HG SER A 6 5.182 -10.572 -4.370 1.00 42.31 H new ATOM 70 N GLU A 7 7.699 -7.591 -7.189 1.00 20.12 N ATOM 71 CA GLU A 7 7.829 -6.817 -8.429 1.00 61.20 C ATOM 72 C GLU A 7 7.493 -7.691 -9.643 1.00 71.15 C ATOM 73 O GLU A 7 8.079 -7.555 -10.717 1.00 4.31 O ATOM 74 CB GLU A 7 9.244 -6.219 -8.551 1.00 73.34 C ATOM 75 CG GLU A 7 9.576 -5.165 -7.492 1.00 13.15 C ATOM 76 CD GLU A 7 9.681 -5.736 -6.084 1.00 34.23 C ATOM 77 OE1 GLU A 7 8.649 -5.803 -5.381 1.00 2.32 O ATOM 78 OE2 GLU A 7 10.802 -6.118 -5.677 1.00 42.14 O ATOM 0 H GLU A 7 7.093 -7.159 -6.492 1.00 20.12 H new ATOM 0 HA GLU A 7 7.118 -5.991 -8.399 1.00 61.20 H new ATOM 0 HB2 GLU A 7 9.974 -7.026 -8.485 1.00 73.34 H new ATOM 0 HB3 GLU A 7 9.353 -5.771 -9.539 1.00 73.34 H new ATOM 0 HG2 GLU A 7 10.519 -4.683 -7.752 1.00 13.15 H new ATOM 0 HG3 GLU A 7 8.808 -4.392 -7.506 1.00 13.15 H new ATOM 85 N THR A 8 6.518 -8.573 -9.458 1.00 40.12 N ATOM 86 CA THR A 8 6.104 -9.520 -10.487 1.00 13.22 C ATOM 87 C THR A 8 5.234 -8.852 -11.556 1.00 24.41 C ATOM 88 O THR A 8 5.046 -9.394 -12.649 1.00 54.24 O ATOM 89 CB THR A 8 5.329 -10.684 -9.832 1.00 72.54 C ATOM 90 OG1 THR A 8 4.507 -10.161 -8.777 1.00 63.52 O ATOM 91 CG2 THR A 8 6.282 -11.735 -9.266 1.00 50.43 C ATOM 0 H THR A 8 5.991 -8.652 -8.588 1.00 40.12 H new ATOM 0 HA THR A 8 7.000 -9.898 -10.979 1.00 13.22 H new ATOM 0 HB THR A 8 4.712 -11.164 -10.592 1.00 72.54 H new ATOM 0 HG1 THR A 8 4.010 -10.893 -8.356 1.00 63.52 H new ATOM 0 HG21 THR A 8 5.706 -12.541 -8.812 1.00 50.43 H new ATOM 0 HG22 THR A 8 6.898 -12.138 -10.070 1.00 50.43 H new ATOM 0 HG23 THR A 8 6.922 -11.277 -8.512 1.00 50.43 H new ATOM 99 N SER A 9 4.710 -7.674 -11.236 1.00 53.30 N ATOM 100 CA SER A 9 3.836 -6.939 -12.144 1.00 14.13 C ATOM 101 C SER A 9 4.632 -5.943 -12.992 1.00 53.45 C ATOM 102 O SER A 9 5.707 -5.498 -12.585 1.00 74.21 O ATOM 103 CB SER A 9 2.766 -6.208 -11.325 1.00 10.22 C ATOM 104 OG SER A 9 3.357 -5.456 -10.276 1.00 33.43 O ATOM 0 H SER A 9 4.877 -7.204 -10.346 1.00 53.30 H new ATOM 0 HA SER A 9 3.360 -7.644 -12.826 1.00 14.13 H new ATOM 0 HB2 SER A 9 2.194 -5.546 -11.975 1.00 10.22 H new ATOM 0 HB3 SER A 9 2.064 -6.931 -10.909 1.00 10.22 H new ATOM 0 HG SER A 9 2.656 -4.997 -9.768 1.00 33.43 H new ATOM 110 N ALA A 10 4.092 -5.617 -14.173 1.00 41.44 N ATOM 111 CA ALA A 10 4.655 -4.596 -15.063 1.00 5.22 C ATOM 112 C ALA A 10 5.985 -5.037 -15.691 1.00 13.52 C ATOM 113 O ALA A 10 6.739 -5.814 -15.100 1.00 51.41 O ATOM 114 CB ALA A 10 4.824 -3.272 -14.317 1.00 71.51 C ATOM 0 H ALA A 10 3.248 -6.057 -14.539 1.00 41.44 H new ATOM 0 HA ALA A 10 3.948 -4.456 -15.881 1.00 5.22 H new ATOM 0 HB1 ALA A 10 5.243 -2.525 -14.992 1.00 71.51 H new ATOM 0 HB2 ALA A 10 3.854 -2.931 -13.956 1.00 71.51 H new ATOM 0 HB3 ALA A 10 5.496 -3.414 -13.471 1.00 71.51 H new ATOM 120 N PRO A 11 6.277 -4.559 -16.919 1.00 71.00 N ATOM 121 CA PRO A 11 7.563 -4.811 -17.579 1.00 72.20 C ATOM 122 C PRO A 11 8.686 -4.001 -16.930 1.00 1.30 C ATOM 123 O PRO A 11 8.434 -2.933 -16.367 1.00 20.13 O ATOM 124 CB PRO A 11 7.316 -4.352 -19.023 1.00 5.52 C ATOM 125 CG PRO A 11 6.260 -3.307 -18.902 1.00 13.34 C ATOM 126 CD PRO A 11 5.375 -3.746 -17.764 1.00 53.51 C ATOM 0 HA PRO A 11 7.878 -5.852 -17.510 1.00 72.20 H new ATOM 0 HB2 PRO A 11 8.224 -3.950 -19.473 1.00 5.52 H new ATOM 0 HB3 PRO A 11 6.987 -5.179 -19.652 1.00 5.52 H new ATOM 0 HG2 PRO A 11 6.699 -2.330 -18.701 1.00 13.34 H new ATOM 0 HG3 PRO A 11 5.691 -3.217 -19.827 1.00 13.34 H new ATOM 0 HD2 PRO A 11 4.972 -2.894 -17.217 1.00 53.51 H new ATOM 0 HD3 PRO A 11 4.524 -4.328 -18.119 1.00 53.51 H new ATOM 134 N ALA A 12 9.914 -4.501 -17.036 1.00 14.33 N ATOM 135 CA ALA A 12 11.077 -3.907 -16.366 1.00 3.20 C ATOM 136 C ALA A 12 11.170 -2.394 -16.581 1.00 3.23 C ATOM 137 O ALA A 12 11.474 -1.647 -15.646 1.00 31.30 O ATOM 138 CB ALA A 12 12.355 -4.587 -16.843 1.00 21.24 C ATOM 0 H ALA A 12 10.136 -5.330 -17.588 1.00 14.33 H new ATOM 0 HA ALA A 12 10.951 -4.069 -15.295 1.00 3.20 H new ATOM 0 HB1 ALA A 12 13.214 -4.141 -16.341 1.00 21.24 H new ATOM 0 HB2 ALA A 12 12.310 -5.651 -16.609 1.00 21.24 H new ATOM 0 HB3 ALA A 12 12.456 -4.457 -17.920 1.00 21.24 H new ATOM 144 N GLU A 13 10.880 -1.952 -17.804 1.00 15.43 N ATOM 145 CA GLU A 13 10.992 -0.537 -18.171 1.00 14.02 C ATOM 146 C GLU A 13 10.184 0.344 -17.218 1.00 52.42 C ATOM 147 O GLU A 13 10.685 1.338 -16.689 1.00 73.14 O ATOM 148 CB GLU A 13 10.502 -0.329 -19.612 1.00 50.01 C ATOM 149 CG GLU A 13 11.252 -1.153 -20.652 1.00 12.52 C ATOM 150 CD GLU A 13 12.735 -0.823 -20.711 1.00 12.13 C ATOM 151 OE1 GLU A 13 13.110 0.108 -21.456 1.00 14.33 O ATOM 152 OE2 GLU A 13 13.527 -1.493 -20.018 1.00 12.32 O ATOM 0 H GLU A 13 10.564 -2.556 -18.563 1.00 15.43 H new ATOM 0 HA GLU A 13 12.041 -0.249 -18.098 1.00 14.02 H new ATOM 0 HB2 GLU A 13 9.442 -0.578 -19.663 1.00 50.01 H new ATOM 0 HB3 GLU A 13 10.594 0.727 -19.866 1.00 50.01 H new ATOM 0 HG2 GLU A 13 11.129 -2.212 -20.426 1.00 12.52 H new ATOM 0 HG3 GLU A 13 10.808 -0.983 -21.633 1.00 12.52 H new ATOM 159 N GLU A 14 8.927 -0.028 -17.013 1.00 61.12 N ATOM 160 CA GLU A 14 8.031 0.723 -16.140 1.00 24.20 C ATOM 161 C GLU A 14 8.274 0.353 -14.683 1.00 73.43 C ATOM 162 O GLU A 14 8.432 1.220 -13.824 1.00 54.33 O ATOM 163 CB GLU A 14 6.568 0.436 -16.512 1.00 31.21 C ATOM 164 CG GLU A 14 6.236 0.730 -17.969 1.00 75.22 C ATOM 165 CD GLU A 14 6.552 2.163 -18.359 1.00 73.53 C ATOM 166 OE1 GLU A 14 7.492 2.381 -19.159 1.00 54.42 O ATOM 167 OE2 GLU A 14 5.867 3.077 -17.857 1.00 74.02 O ATOM 0 H GLU A 14 8.502 -0.850 -17.442 1.00 61.12 H new ATOM 0 HA GLU A 14 8.232 1.786 -16.271 1.00 24.20 H new ATOM 0 HB2 GLU A 14 6.348 -0.611 -16.303 1.00 31.21 H new ATOM 0 HB3 GLU A 14 5.917 1.032 -15.873 1.00 31.21 H new ATOM 0 HG2 GLU A 14 6.797 0.050 -18.610 1.00 75.22 H new ATOM 0 HG3 GLU A 14 5.178 0.534 -18.144 1.00 75.22 H new ATOM 174 N LEU A 15 8.341 -0.950 -14.440 1.00 15.32 N ATOM 175 CA LEU A 15 8.405 -1.517 -13.095 1.00 43.25 C ATOM 176 C LEU A 15 9.541 -0.930 -12.270 1.00 61.22 C ATOM 177 O LEU A 15 9.339 -0.544 -11.125 1.00 11.21 O ATOM 178 CB LEU A 15 8.576 -3.035 -13.188 1.00 51.00 C ATOM 179 CG LEU A 15 8.862 -3.753 -11.861 1.00 31.41 C ATOM 180 CD1 LEU A 15 7.669 -3.652 -10.911 1.00 52.43 C ATOM 181 CD2 LEU A 15 9.242 -5.204 -12.119 1.00 42.24 C ATOM 0 H LEU A 15 8.353 -1.653 -15.179 1.00 15.32 H new ATOM 0 HA LEU A 15 7.471 -1.267 -12.591 1.00 43.25 H new ATOM 0 HB2 LEU A 15 7.670 -3.459 -13.622 1.00 51.00 H new ATOM 0 HB3 LEU A 15 9.391 -3.249 -13.879 1.00 51.00 H new ATOM 0 HG LEU A 15 9.705 -3.260 -11.377 1.00 31.41 H new ATOM 0 HD11 LEU A 15 7.900 -4.169 -9.980 1.00 52.43 H new ATOM 0 HD12 LEU A 15 7.459 -2.603 -10.701 1.00 52.43 H new ATOM 0 HD13 LEU A 15 6.795 -4.111 -11.374 1.00 52.43 H new ATOM 0 HD21 LEU A 15 9.442 -5.702 -11.170 1.00 42.24 H new ATOM 0 HD22 LEU A 15 8.422 -5.710 -12.628 1.00 42.24 H new ATOM 0 HD23 LEU A 15 10.135 -5.241 -12.744 1.00 42.24 H new ATOM 193 N LEU A 16 10.733 -0.880 -12.851 1.00 21.32 N ATOM 194 CA LEU A 16 11.922 -0.450 -12.121 1.00 22.44 C ATOM 195 C LEU A 16 11.705 0.928 -11.488 1.00 42.42 C ATOM 196 O LEU A 16 11.764 1.075 -10.265 1.00 3.24 O ATOM 197 CB LEU A 16 13.139 -0.439 -13.057 1.00 15.20 C ATOM 198 CG LEU A 16 14.492 -0.160 -12.382 1.00 3.42 C ATOM 199 CD1 LEU A 16 14.763 -1.162 -11.261 1.00 23.53 C ATOM 200 CD2 LEU A 16 15.616 -0.186 -13.412 1.00 42.52 C ATOM 0 H LEU A 16 10.904 -1.131 -13.825 1.00 21.32 H new ATOM 0 HA LEU A 16 12.111 -1.159 -11.315 1.00 22.44 H new ATOM 0 HB2 LEU A 16 13.196 -1.404 -13.561 1.00 15.20 H new ATOM 0 HB3 LEU A 16 12.975 0.314 -13.828 1.00 15.20 H new ATOM 0 HG LEU A 16 14.452 0.835 -11.939 1.00 3.42 H new ATOM 0 HD11 LEU A 16 15.726 -0.941 -10.801 1.00 23.53 H new ATOM 0 HD12 LEU A 16 13.977 -1.089 -10.510 1.00 23.53 H new ATOM 0 HD13 LEU A 16 14.780 -2.172 -11.672 1.00 23.53 H new ATOM 0 HD21 LEU A 16 16.567 0.013 -12.918 1.00 42.52 H new ATOM 0 HD22 LEU A 16 15.652 -1.167 -13.886 1.00 42.52 H new ATOM 0 HD23 LEU A 16 15.434 0.577 -14.169 1.00 42.52 H new ATOM 212 N ALA A 17 11.418 1.921 -12.323 1.00 74.52 N ATOM 213 CA ALA A 17 11.199 3.288 -11.850 1.00 43.01 C ATOM 214 C ALA A 17 9.946 3.367 -10.976 1.00 71.43 C ATOM 215 O ALA A 17 9.936 4.044 -9.947 1.00 73.44 O ATOM 216 CB ALA A 17 11.090 4.246 -13.035 1.00 21.44 C ATOM 0 H ALA A 17 11.331 1.807 -13.333 1.00 74.52 H new ATOM 0 HA ALA A 17 12.054 3.583 -11.241 1.00 43.01 H new ATOM 0 HB1 ALA A 17 10.927 5.260 -12.669 1.00 21.44 H new ATOM 0 HB2 ALA A 17 12.012 4.213 -13.615 1.00 21.44 H new ATOM 0 HB3 ALA A 17 10.253 3.949 -13.667 1.00 21.44 H new ATOM 222 N ASP A 18 8.906 2.649 -11.389 1.00 2.24 N ATOM 223 CA ASP A 18 7.609 2.671 -10.704 1.00 15.12 C ATOM 224 C ASP A 18 7.755 2.198 -9.255 1.00 24.15 C ATOM 225 O ASP A 18 7.323 2.871 -8.313 1.00 23.32 O ATOM 226 CB ASP A 18 6.635 1.756 -11.466 1.00 0.24 C ATOM 227 CG ASP A 18 5.193 1.806 -10.976 1.00 60.22 C ATOM 228 OD1 ASP A 18 4.904 2.481 -9.966 1.00 45.10 O ATOM 229 OD2 ASP A 18 4.334 1.175 -11.630 1.00 22.44 O ATOM 0 H ASP A 18 8.934 2.036 -12.204 1.00 2.24 H new ATOM 0 HA ASP A 18 7.225 3.691 -10.686 1.00 15.12 H new ATOM 0 HB2 ASP A 18 6.655 2.027 -12.521 1.00 0.24 H new ATOM 0 HB3 ASP A 18 6.993 0.729 -11.394 1.00 0.24 H new ATOM 234 N VAL A 19 8.427 1.067 -9.078 1.00 32.25 N ATOM 235 CA VAL A 19 8.623 0.501 -7.754 1.00 70.23 C ATOM 236 C VAL A 19 9.659 1.319 -6.995 1.00 10.14 C ATOM 237 O VAL A 19 9.578 1.461 -5.778 1.00 65.23 O ATOM 238 CB VAL A 19 9.049 -0.993 -7.804 1.00 32.11 C ATOM 239 CG1 VAL A 19 10.499 -1.154 -8.252 1.00 51.02 C ATOM 240 CG2 VAL A 19 8.820 -1.663 -6.452 1.00 11.13 C ATOM 0 H VAL A 19 8.844 0.526 -9.835 1.00 32.25 H new ATOM 0 HA VAL A 19 7.666 0.541 -7.234 1.00 70.23 H new ATOM 0 HB VAL A 19 8.424 -1.488 -8.547 1.00 32.11 H new ATOM 0 HG11 VAL A 19 10.758 -2.213 -8.274 1.00 51.02 H new ATOM 0 HG12 VAL A 19 10.621 -0.730 -9.249 1.00 51.02 H new ATOM 0 HG13 VAL A 19 11.155 -0.634 -7.554 1.00 51.02 H new ATOM 0 HG21 VAL A 19 9.124 -2.708 -6.508 1.00 11.13 H new ATOM 0 HG22 VAL A 19 9.409 -1.154 -5.689 1.00 11.13 H new ATOM 0 HG23 VAL A 19 7.763 -1.606 -6.192 1.00 11.13 H new ATOM 250 N GLU A 20 10.629 1.863 -7.729 1.00 32.24 N ATOM 251 CA GLU A 20 11.646 2.731 -7.143 1.00 11.13 C ATOM 252 C GLU A 20 10.987 3.935 -6.460 1.00 63.20 C ATOM 253 O GLU A 20 11.420 4.368 -5.386 1.00 12.10 O ATOM 254 CB GLU A 20 12.627 3.191 -8.231 1.00 43.11 C ATOM 255 CG GLU A 20 13.760 4.077 -7.727 1.00 73.24 C ATOM 256 CD GLU A 20 14.740 4.447 -8.829 1.00 61.21 C ATOM 257 OE1 GLU A 20 15.893 3.961 -8.802 1.00 5.33 O ATOM 258 OE2 GLU A 20 14.360 5.223 -9.734 1.00 31.31 O ATOM 0 H GLU A 20 10.731 1.716 -8.733 1.00 32.24 H new ATOM 0 HA GLU A 20 12.200 2.174 -6.388 1.00 11.13 H new ATOM 0 HB2 GLU A 20 13.056 2.311 -8.711 1.00 43.11 H new ATOM 0 HB3 GLU A 20 12.072 3.733 -8.997 1.00 43.11 H new ATOM 0 HG2 GLU A 20 13.342 4.987 -7.296 1.00 73.24 H new ATOM 0 HG3 GLU A 20 14.293 3.561 -6.928 1.00 73.24 H new ATOM 265 N GLU A 21 9.934 4.467 -7.089 1.00 1.33 N ATOM 266 CA GLU A 21 9.170 5.574 -6.513 1.00 53.41 C ATOM 267 C GLU A 21 8.326 5.085 -5.340 1.00 51.44 C ATOM 268 O GLU A 21 8.409 5.623 -4.237 1.00 54.41 O ATOM 269 CB GLU A 21 8.245 6.198 -7.570 1.00 11.21 C ATOM 270 CG GLU A 21 8.970 6.774 -8.780 1.00 34.42 C ATOM 271 CD GLU A 21 8.010 7.342 -9.813 1.00 72.00 C ATOM 272 OE1 GLU A 21 7.569 8.498 -9.648 1.00 30.54 O ATOM 273 OE2 GLU A 21 7.687 6.638 -10.794 1.00 65.32 O ATOM 0 H GLU A 21 9.593 4.148 -7.996 1.00 1.33 H new ATOM 0 HA GLU A 21 9.878 6.325 -6.163 1.00 53.41 H new ATOM 0 HB2 GLU A 21 7.540 5.440 -7.911 1.00 11.21 H new ATOM 0 HB3 GLU A 21 7.660 6.989 -7.101 1.00 11.21 H new ATOM 0 HG2 GLU A 21 9.653 7.558 -8.452 1.00 34.42 H new ATOM 0 HG3 GLU A 21 9.577 5.995 -9.241 1.00 34.42 H new ATOM 280 N ALA A 22 7.552 4.025 -5.575 1.00 32.31 N ATOM 281 CA ALA A 22 6.627 3.500 -4.571 1.00 62.30 C ATOM 282 C ALA A 22 7.359 3.161 -3.276 1.00 63.40 C ATOM 283 O ALA A 22 6.960 3.589 -2.190 1.00 44.34 O ATOM 284 CB ALA A 22 5.908 2.271 -5.112 1.00 60.51 C ATOM 0 H ALA A 22 7.548 3.511 -6.456 1.00 32.31 H new ATOM 0 HA ALA A 22 5.890 4.272 -4.349 1.00 62.30 H new ATOM 0 HB1 ALA A 22 5.222 1.889 -4.356 1.00 60.51 H new ATOM 0 HB2 ALA A 22 5.348 2.542 -6.007 1.00 60.51 H new ATOM 0 HB3 ALA A 22 6.639 1.502 -5.361 1.00 60.51 H new ATOM 290 N MET A 23 8.464 2.432 -3.416 1.00 33.31 N ATOM 291 CA MET A 23 9.263 1.977 -2.279 1.00 43.03 C ATOM 292 C MET A 23 9.754 3.149 -1.422 1.00 62.52 C ATOM 293 O MET A 23 10.241 2.940 -0.314 1.00 13.30 O ATOM 294 CB MET A 23 10.464 1.141 -2.754 1.00 4.04 C ATOM 295 CG MET A 23 10.100 -0.236 -3.306 1.00 51.52 C ATOM 296 SD MET A 23 9.282 -1.283 -2.087 1.00 15.32 S ATOM 297 CE MET A 23 9.042 -2.785 -3.037 1.00 62.23 C ATOM 0 H MET A 23 8.831 2.140 -4.321 1.00 33.31 H new ATOM 0 HA MET A 23 8.615 1.354 -1.663 1.00 43.03 H new ATOM 0 HB2 MET A 23 10.996 1.698 -3.525 1.00 4.04 H new ATOM 0 HB3 MET A 23 11.154 1.013 -1.920 1.00 4.04 H new ATOM 0 HG2 MET A 23 9.448 -0.115 -4.171 1.00 51.52 H new ATOM 0 HG3 MET A 23 11.005 -0.733 -3.656 1.00 51.52 H new ATOM 0 HE1 MET A 23 8.594 -3.549 -2.402 1.00 62.23 H new ATOM 0 HE2 MET A 23 8.382 -2.581 -3.880 1.00 62.23 H new ATOM 0 HE3 MET A 23 10.004 -3.139 -3.407 1.00 62.23 H new ATOM 307 N ARG A 24 9.648 4.371 -1.945 1.00 11.33 N ATOM 308 CA ARG A 24 10.044 5.568 -1.203 1.00 24.22 C ATOM 309 C ARG A 24 8.878 6.090 -0.363 1.00 41.44 C ATOM 310 O ARG A 24 9.074 6.570 0.757 1.00 50.32 O ATOM 311 CB ARG A 24 10.513 6.666 -2.170 1.00 61.14 C ATOM 312 CG ARG A 24 11.044 7.923 -1.478 1.00 54.30 C ATOM 313 CD ARG A 24 11.340 9.042 -2.474 1.00 52.24 C ATOM 314 NE ARG A 24 11.983 10.192 -1.832 1.00 35.43 N ATOM 315 CZ ARG A 24 11.461 11.420 -1.791 1.00 43.15 C ATOM 316 NH1 ARG A 24 10.263 11.660 -2.316 1.00 74.14 N ATOM 317 NH2 ARG A 24 12.133 12.408 -1.212 1.00 63.41 N ATOM 0 H ARG A 24 9.290 4.558 -2.882 1.00 11.33 H new ATOM 0 HA ARG A 24 10.866 5.299 -0.540 1.00 24.22 H new ATOM 0 HB2 ARG A 24 11.295 6.260 -2.812 1.00 61.14 H new ATOM 0 HB3 ARG A 24 9.681 6.944 -2.817 1.00 61.14 H new ATOM 0 HG2 ARG A 24 10.313 8.271 -0.748 1.00 54.30 H new ATOM 0 HG3 ARG A 24 11.952 7.678 -0.928 1.00 54.30 H new ATOM 0 HD2 ARG A 24 11.985 8.661 -3.266 1.00 52.24 H new ATOM 0 HD3 ARG A 24 10.411 9.363 -2.946 1.00 52.24 H new ATOM 0 HE ARG A 24 12.889 10.044 -1.387 1.00 35.43 H new ATOM 0 HH11 ARG A 24 9.737 10.903 -2.753 1.00 74.14 H new ATOM 0 HH12 ARG A 24 9.870 12.601 -2.281 1.00 74.14 H new ATOM 0 HH21 ARG A 24 13.048 12.229 -0.799 1.00 63.41 H new ATOM 0 HH22 ARG A 24 11.734 13.346 -1.181 1.00 63.41 H new ATOM 331 N ASP A 25 7.662 5.970 -0.896 1.00 64.14 N ATOM 332 CA ASP A 25 6.481 6.569 -0.267 1.00 55.52 C ATOM 333 C ASP A 25 5.820 5.602 0.715 1.00 34.35 C ATOM 334 O ASP A 25 5.166 6.025 1.668 1.00 62.43 O ATOM 335 CB ASP A 25 5.465 7.013 -1.334 1.00 2.25 C ATOM 336 CG ASP A 25 6.001 8.117 -2.238 1.00 71.25 C ATOM 337 OD1 ASP A 25 6.163 9.263 -1.758 1.00 31.24 O ATOM 338 OD2 ASP A 25 6.257 7.850 -3.432 1.00 53.21 O ATOM 0 H ASP A 25 7.467 5.465 -1.760 1.00 64.14 H new ATOM 0 HA ASP A 25 6.815 7.444 0.291 1.00 55.52 H new ATOM 0 HB2 ASP A 25 5.187 6.154 -1.944 1.00 2.25 H new ATOM 0 HB3 ASP A 25 4.557 7.362 -0.842 1.00 2.25 H new ATOM 343 N VAL A 26 5.992 4.303 0.482 1.00 12.02 N ATOM 344 CA VAL A 26 5.374 3.276 1.329 1.00 71.21 C ATOM 345 C VAL A 26 6.363 2.743 2.371 1.00 53.41 C ATOM 346 O VAL A 26 6.232 1.613 2.850 1.00 3.41 O ATOM 347 CB VAL A 26 4.827 2.101 0.475 1.00 31.42 C ATOM 348 CG1 VAL A 26 3.791 2.607 -0.530 1.00 22.34 C ATOM 349 CG2 VAL A 26 5.964 1.357 -0.232 1.00 45.13 C ATOM 0 H VAL A 26 6.553 3.933 -0.285 1.00 12.02 H new ATOM 0 HA VAL A 26 4.541 3.748 1.850 1.00 71.21 H new ATOM 0 HB VAL A 26 4.336 1.393 1.143 1.00 31.42 H new ATOM 0 HG11 VAL A 26 3.418 1.770 -1.120 1.00 22.34 H new ATOM 0 HG12 VAL A 26 2.963 3.072 0.004 1.00 22.34 H new ATOM 0 HG13 VAL A 26 4.253 3.340 -1.191 1.00 22.34 H new ATOM 0 HG21 VAL A 26 5.552 0.539 -0.823 1.00 45.13 H new ATOM 0 HG22 VAL A 26 6.497 2.046 -0.888 1.00 45.13 H new ATOM 0 HG23 VAL A 26 6.654 0.956 0.511 1.00 45.13 H new ATOM 359 N VAL A 27 7.327 3.576 2.747 1.00 4.44 N ATOM 360 CA VAL A 27 8.371 3.181 3.690 1.00 23.13 C ATOM 361 C VAL A 27 8.672 4.329 4.655 1.00 53.24 C ATOM 362 O VAL A 27 8.320 5.480 4.382 1.00 62.04 O ATOM 363 CB VAL A 27 9.673 2.783 2.940 1.00 61.42 C ATOM 364 CG1 VAL A 27 10.391 4.016 2.389 1.00 51.03 C ATOM 365 CG2 VAL A 27 10.602 1.964 3.833 1.00 31.40 C ATOM 0 H VAL A 27 7.408 4.536 2.411 1.00 4.44 H new ATOM 0 HA VAL A 27 8.010 2.319 4.250 1.00 23.13 H new ATOM 0 HB VAL A 27 9.386 2.156 2.096 1.00 61.42 H new ATOM 0 HG11 VAL A 27 11.298 3.707 1.870 1.00 51.03 H new ATOM 0 HG12 VAL A 27 9.735 4.539 1.693 1.00 51.03 H new ATOM 0 HG13 VAL A 27 10.653 4.682 3.211 1.00 51.03 H new ATOM 0 HG21 VAL A 27 11.503 1.702 3.278 1.00 31.40 H new ATOM 0 HG22 VAL A 27 10.874 2.551 4.710 1.00 31.40 H new ATOM 0 HG23 VAL A 27 10.093 1.053 4.149 1.00 31.40 H new ATOM 375 N ASP A 28 9.325 4.012 5.771 1.00 52.43 N ATOM 376 CA ASP A 28 9.788 5.021 6.721 1.00 54.53 C ATOM 377 C ASP A 28 11.315 5.093 6.669 1.00 5.42 C ATOM 378 O ASP A 28 12.008 4.481 7.485 1.00 5.25 O ATOM 379 CB ASP A 28 9.301 4.691 8.145 1.00 13.32 C ATOM 380 CG ASP A 28 7.920 5.256 8.451 1.00 2.34 C ATOM 381 OD1 ASP A 28 6.927 4.502 8.364 1.00 20.12 O ATOM 382 OD2 ASP A 28 7.827 6.458 8.788 1.00 43.21 O ATOM 0 H ASP A 28 9.547 3.054 6.041 1.00 52.43 H new ATOM 0 HA ASP A 28 9.374 5.992 6.449 1.00 54.53 H new ATOM 0 HB2 ASP A 28 9.281 3.609 8.274 1.00 13.32 H new ATOM 0 HB3 ASP A 28 10.016 5.085 8.867 1.00 13.32 H new ATOM 387 N PRO A 29 11.869 5.847 5.696 1.00 2.42 N ATOM 388 CA PRO A 29 13.306 5.845 5.414 1.00 70.24 C ATOM 389 C PRO A 29 14.094 6.733 6.374 1.00 60.12 C ATOM 390 O PRO A 29 15.263 7.043 6.133 1.00 1.14 O ATOM 391 CB PRO A 29 13.367 6.387 3.982 1.00 70.23 C ATOM 392 CG PRO A 29 12.210 7.326 3.887 1.00 31.30 C ATOM 393 CD PRO A 29 11.141 6.784 4.811 1.00 74.44 C ATOM 0 HA PRO A 29 13.754 4.858 5.533 1.00 70.24 H new ATOM 0 HB2 PRO A 29 14.310 6.899 3.791 1.00 70.23 H new ATOM 0 HB3 PRO A 29 13.287 5.583 3.250 1.00 70.23 H new ATOM 0 HG2 PRO A 29 12.503 8.334 4.181 1.00 31.30 H new ATOM 0 HG3 PRO A 29 11.843 7.387 2.863 1.00 31.30 H new ATOM 0 HD2 PRO A 29 10.665 7.582 5.381 1.00 74.44 H new ATOM 0 HD3 PRO A 29 10.353 6.276 4.255 1.00 74.44 H new ATOM 401 N GLU A 30 13.450 7.125 7.470 1.00 43.45 N ATOM 402 CA GLU A 30 14.077 7.973 8.476 1.00 65.45 C ATOM 403 C GLU A 30 15.276 7.255 9.097 1.00 2.42 C ATOM 404 O GLU A 30 16.407 7.743 9.042 1.00 4.14 O ATOM 405 CB GLU A 30 13.050 8.327 9.563 1.00 72.13 C ATOM 406 CG GLU A 30 11.737 8.877 9.010 1.00 52.54 C ATOM 407 CD GLU A 30 11.922 10.168 8.229 1.00 32.13 C ATOM 408 OE1 GLU A 30 11.880 11.250 8.850 1.00 5.03 O ATOM 409 OE2 GLU A 30 12.122 10.113 6.997 1.00 52.41 O ATOM 0 H GLU A 30 12.487 6.866 7.684 1.00 43.45 H new ATOM 0 HA GLU A 30 14.428 8.890 8.003 1.00 65.45 H new ATOM 0 HB2 GLU A 30 12.840 7.437 10.156 1.00 72.13 H new ATOM 0 HB3 GLU A 30 13.487 9.063 10.237 1.00 72.13 H new ATOM 0 HG2 GLU A 30 11.279 8.129 8.363 1.00 52.54 H new ATOM 0 HG3 GLU A 30 11.046 9.052 9.834 1.00 52.54 H new ATOM 416 N LEU A 31 15.015 6.086 9.679 1.00 30.23 N ATOM 417 CA LEU A 31 16.073 5.217 10.201 1.00 43.03 C ATOM 418 C LEU A 31 16.111 3.899 9.428 1.00 73.23 C ATOM 419 O LEU A 31 16.882 2.997 9.756 1.00 41.55 O ATOM 420 CB LEU A 31 15.867 4.951 11.700 1.00 45.53 C ATOM 421 CG LEU A 31 15.979 6.186 12.610 1.00 2.34 C ATOM 422 CD1 LEU A 31 15.744 5.801 14.068 1.00 14.12 C ATOM 423 CD2 LEU A 31 17.339 6.861 12.442 1.00 62.11 C ATOM 0 H LEU A 31 14.073 5.715 9.802 1.00 30.23 H new ATOM 0 HA LEU A 31 17.028 5.725 10.070 1.00 43.03 H new ATOM 0 HB2 LEU A 31 14.882 4.505 11.841 1.00 45.53 H new ATOM 0 HB3 LEU A 31 16.601 4.213 12.025 1.00 45.53 H new ATOM 0 HG LEU A 31 15.208 6.898 12.315 1.00 2.34 H new ATOM 0 HD11 LEU A 31 15.827 6.688 14.696 1.00 14.12 H new ATOM 0 HD12 LEU A 31 14.747 5.373 14.175 1.00 14.12 H new ATOM 0 HD13 LEU A 31 16.489 5.067 14.375 1.00 14.12 H new ATOM 0 HD21 LEU A 31 17.396 7.732 13.095 1.00 62.11 H new ATOM 0 HD22 LEU A 31 18.129 6.158 12.705 1.00 62.11 H new ATOM 0 HD23 LEU A 31 17.464 7.176 11.406 1.00 62.11 H new ATOM 435 N GLY A 32 15.267 3.795 8.404 1.00 30.20 N ATOM 436 CA GLY A 32 15.215 2.588 7.595 1.00 72.03 C ATOM 437 C GLY A 32 14.163 1.607 8.077 1.00 13.40 C ATOM 438 O GLY A 32 14.390 0.393 8.090 1.00 55.44 O ATOM 0 H GLY A 32 14.616 4.527 8.119 1.00 30.20 H new ATOM 0 HA2 GLY A 32 15.007 2.858 6.560 1.00 72.03 H new ATOM 0 HA3 GLY A 32 16.191 2.104 7.609 1.00 72.03 H new ATOM 442 N ILE A 33 13.009 2.129 8.483 1.00 3.40 N ATOM 443 CA ILE A 33 11.894 1.287 8.905 1.00 14.25 C ATOM 444 C ILE A 33 11.046 0.946 7.686 1.00 10.33 C ATOM 445 O ILE A 33 10.806 1.802 6.831 1.00 1.21 O ATOM 446 CB ILE A 33 10.988 1.969 9.973 1.00 21.30 C ATOM 447 CG1 ILE A 33 11.801 2.425 11.203 1.00 4.54 C ATOM 448 CG2 ILE A 33 9.856 1.032 10.404 1.00 71.13 C ATOM 449 CD1 ILE A 33 12.599 3.695 10.986 1.00 42.04 C ATOM 0 H ILE A 33 12.822 3.131 8.529 1.00 3.40 H new ATOM 0 HA ILE A 33 12.317 0.392 9.362 1.00 14.25 H new ATOM 0 HB ILE A 33 10.554 2.856 9.511 1.00 21.30 H new ATOM 0 HG12 ILE A 33 11.119 2.577 12.039 1.00 4.54 H new ATOM 0 HG13 ILE A 33 12.484 1.625 11.490 1.00 4.54 H new ATOM 0 HG21 ILE A 33 9.236 1.529 11.150 1.00 71.13 H new ATOM 0 HG22 ILE A 33 9.246 0.776 9.538 1.00 71.13 H new ATOM 0 HG23 ILE A 33 10.279 0.123 10.831 1.00 71.13 H new ATOM 0 HD11 ILE A 33 13.140 3.945 11.898 1.00 42.04 H new ATOM 0 HD12 ILE A 33 13.309 3.544 10.173 1.00 42.04 H new ATOM 0 HD13 ILE A 33 11.923 4.511 10.731 1.00 42.04 H new ATOM 461 N ASN A 34 10.579 -0.288 7.613 1.00 25.41 N ATOM 462 CA ASN A 34 9.815 -0.745 6.460 1.00 15.45 C ATOM 463 C ASN A 34 8.719 -1.703 6.905 1.00 70.14 C ATOM 464 O ASN A 34 8.998 -2.743 7.489 1.00 52.11 O ATOM 465 CB ASN A 34 10.742 -1.437 5.446 1.00 74.53 C ATOM 466 CG ASN A 34 10.063 -1.691 4.108 1.00 71.42 C ATOM 467 OD1 ASN A 34 8.840 -1.782 4.023 1.00 25.23 O ATOM 468 ND2 ASN A 34 10.856 -1.820 3.055 1.00 13.11 N ATOM 0 H ASN A 34 10.714 -0.993 8.337 1.00 25.41 H new ATOM 0 HA ASN A 34 9.355 0.119 5.980 1.00 15.45 H new ATOM 0 HB2 ASN A 34 11.627 -0.820 5.289 1.00 74.53 H new ATOM 0 HB3 ASN A 34 11.084 -2.385 5.861 1.00 74.53 H new ATOM 0 HD21 ASN A 34 10.456 -2.001 2.134 1.00 13.11 H new ATOM 0 HD22 ASN A 34 11.867 -1.738 3.165 1.00 13.11 H new ATOM 475 N VAL A 35 7.474 -1.347 6.626 1.00 44.50 N ATOM 476 CA VAL A 35 6.335 -2.178 6.998 1.00 13.02 C ATOM 477 C VAL A 35 6.434 -3.563 6.340 1.00 33.21 C ATOM 478 O VAL A 35 6.026 -4.575 6.921 1.00 21.24 O ATOM 479 CB VAL A 35 5.001 -1.485 6.619 1.00 53.32 C ATOM 480 CG1 VAL A 35 4.873 -0.146 7.355 1.00 54.43 C ATOM 481 CG2 VAL A 35 4.895 -1.286 5.106 1.00 43.01 C ATOM 0 H VAL A 35 7.225 -0.485 6.141 1.00 44.50 H new ATOM 0 HA VAL A 35 6.352 -2.313 8.080 1.00 13.02 H new ATOM 0 HB VAL A 35 4.179 -2.131 6.926 1.00 53.32 H new ATOM 0 HG11 VAL A 35 3.932 0.331 7.081 1.00 54.43 H new ATOM 0 HG12 VAL A 35 4.892 -0.319 8.431 1.00 54.43 H new ATOM 0 HG13 VAL A 35 5.704 0.503 7.077 1.00 54.43 H new ATOM 0 HG21 VAL A 35 3.950 -0.798 4.869 1.00 43.01 H new ATOM 0 HG22 VAL A 35 5.721 -0.664 4.762 1.00 43.01 H new ATOM 0 HG23 VAL A 35 4.939 -2.254 4.608 1.00 43.01 H new ATOM 491 N VAL A 36 7.024 -3.599 5.143 1.00 44.23 N ATOM 492 CA VAL A 36 7.234 -4.848 4.410 1.00 12.41 C ATOM 493 C VAL A 36 8.091 -5.815 5.230 1.00 21.13 C ATOM 494 O VAL A 36 7.979 -7.035 5.088 1.00 33.50 O ATOM 495 CB VAL A 36 7.910 -4.584 3.036 1.00 50.35 C ATOM 496 CG1 VAL A 36 8.161 -5.888 2.276 1.00 62.35 C ATOM 497 CG2 VAL A 36 7.064 -3.623 2.197 1.00 34.42 C ATOM 0 H VAL A 36 7.367 -2.770 4.658 1.00 44.23 H new ATOM 0 HA VAL A 36 6.257 -5.297 4.235 1.00 12.41 H new ATOM 0 HB VAL A 36 8.878 -4.120 3.225 1.00 50.35 H new ATOM 0 HG11 VAL A 36 8.635 -5.666 1.320 1.00 62.35 H new ATOM 0 HG12 VAL A 36 8.815 -6.532 2.864 1.00 62.35 H new ATOM 0 HG13 VAL A 36 7.212 -6.396 2.102 1.00 62.35 H new ATOM 0 HG21 VAL A 36 7.553 -3.450 1.238 1.00 34.42 H new ATOM 0 HG22 VAL A 36 6.079 -4.058 2.028 1.00 34.42 H new ATOM 0 HG23 VAL A 36 6.957 -2.676 2.726 1.00 34.42 H new ATOM 507 N ASP A 37 8.920 -5.256 6.113 1.00 75.20 N ATOM 508 CA ASP A 37 9.798 -6.045 6.979 1.00 55.14 C ATOM 509 C ASP A 37 8.987 -7.000 7.860 1.00 33.11 C ATOM 510 O ASP A 37 9.466 -8.074 8.231 1.00 61.21 O ATOM 511 CB ASP A 37 10.655 -5.101 7.838 1.00 23.20 C ATOM 512 CG ASP A 37 11.418 -5.796 8.956 1.00 33.12 C ATOM 513 OD1 ASP A 37 11.425 -5.265 10.091 1.00 73.21 O ATOM 514 OD2 ASP A 37 12.027 -6.856 8.707 1.00 40.13 O ATOM 0 H ASP A 37 9.002 -4.248 6.248 1.00 75.20 H new ATOM 0 HA ASP A 37 10.454 -6.653 6.356 1.00 55.14 H new ATOM 0 HB2 ASP A 37 11.367 -4.586 7.193 1.00 23.20 H new ATOM 0 HB3 ASP A 37 10.010 -4.338 8.273 1.00 23.20 H new ATOM 519 N LEU A 38 7.740 -6.626 8.155 1.00 50.31 N ATOM 520 CA LEU A 38 6.872 -7.450 9.002 1.00 71.13 C ATOM 521 C LEU A 38 6.302 -8.633 8.214 1.00 4.22 C ATOM 522 O LEU A 38 5.667 -9.521 8.783 1.00 31.11 O ATOM 523 CB LEU A 38 5.728 -6.607 9.600 1.00 65.05 C ATOM 524 CG LEU A 38 6.137 -5.587 10.682 1.00 65.22 C ATOM 525 CD1 LEU A 38 6.864 -6.279 11.831 1.00 5.22 C ATOM 526 CD2 LEU A 38 6.993 -4.463 10.096 1.00 21.14 C ATOM 0 H LEU A 38 7.310 -5.763 7.823 1.00 50.31 H new ATOM 0 HA LEU A 38 7.478 -7.840 9.820 1.00 71.13 H new ATOM 0 HB2 LEU A 38 5.236 -6.070 8.789 1.00 65.05 H new ATOM 0 HB3 LEU A 38 4.989 -7.284 10.028 1.00 65.05 H new ATOM 0 HG LEU A 38 5.225 -5.137 11.074 1.00 65.22 H new ATOM 0 HD11 LEU A 38 7.143 -5.540 12.582 1.00 5.22 H new ATOM 0 HD12 LEU A 38 6.208 -7.024 12.281 1.00 5.22 H new ATOM 0 HD13 LEU A 38 7.761 -6.768 11.452 1.00 5.22 H new ATOM 0 HD21 LEU A 38 7.263 -3.762 10.886 1.00 21.14 H new ATOM 0 HD22 LEU A 38 7.898 -4.885 9.660 1.00 21.14 H new ATOM 0 HD23 LEU A 38 6.428 -3.940 9.324 1.00 21.14 H new ATOM 538 N GLY A 39 6.529 -8.624 6.901 1.00 25.21 N ATOM 539 CA GLY A 39 6.065 -9.698 6.032 1.00 53.32 C ATOM 540 C GLY A 39 4.555 -9.866 6.049 1.00 62.42 C ATOM 541 O GLY A 39 4.032 -10.933 5.712 1.00 31.22 O ATOM 0 H GLY A 39 7.033 -7.881 6.417 1.00 25.21 H new ATOM 0 HA2 GLY A 39 6.391 -9.498 5.011 1.00 53.32 H new ATOM 0 HA3 GLY A 39 6.532 -10.634 6.339 1.00 53.32 H new ATOM 545 N LEU A 40 3.845 -8.806 6.419 1.00 5.15 N ATOM 546 CA LEU A 40 2.386 -8.838 6.445 1.00 31.34 C ATOM 547 C LEU A 40 1.823 -8.321 5.125 1.00 1.23 C ATOM 548 O LEU A 40 0.738 -8.719 4.707 1.00 24.24 O ATOM 549 CB LEU A 40 1.845 -8.019 7.624 1.00 72.15 C ATOM 550 CG LEU A 40 0.314 -8.046 7.802 1.00 11.14 C ATOM 551 CD1 LEU A 40 -0.205 -9.479 7.925 1.00 60.23 C ATOM 552 CD2 LEU A 40 -0.092 -7.226 9.021 1.00 12.31 C ATOM 0 H LEU A 40 4.254 -7.916 6.704 1.00 5.15 H new ATOM 0 HA LEU A 40 2.065 -9.871 6.577 1.00 31.34 H new ATOM 0 HB2 LEU A 40 2.307 -8.385 8.541 1.00 72.15 H new ATOM 0 HB3 LEU A 40 2.161 -6.983 7.500 1.00 72.15 H new ATOM 0 HG LEU A 40 -0.136 -7.603 6.914 1.00 11.14 H new ATOM 0 HD11 LEU A 40 -1.288 -9.464 8.049 1.00 60.23 H new ATOM 0 HD12 LEU A 40 0.049 -10.037 7.024 1.00 60.23 H new ATOM 0 HD13 LEU A 40 0.253 -9.959 8.790 1.00 60.23 H new ATOM 0 HD21 LEU A 40 -1.176 -7.254 9.134 1.00 12.31 H new ATOM 0 HD22 LEU A 40 0.377 -7.643 9.912 1.00 12.31 H new ATOM 0 HD23 LEU A 40 0.232 -6.194 8.890 1.00 12.31 H new ATOM 564 N VAL A 41 2.600 -7.470 4.453 1.00 41.12 N ATOM 565 CA VAL A 41 2.208 -6.898 3.162 1.00 30.13 C ATOM 566 C VAL A 41 2.031 -7.999 2.109 1.00 71.33 C ATOM 567 O VAL A 41 1.487 -7.768 1.032 1.00 22.51 O ATOM 568 CB VAL A 41 3.262 -5.870 2.676 1.00 72.23 C ATOM 569 CG1 VAL A 41 4.587 -6.560 2.360 1.00 1.45 C ATOM 570 CG2 VAL A 41 2.752 -5.072 1.473 1.00 62.21 C ATOM 0 H VAL A 41 3.513 -7.159 4.785 1.00 41.12 H new ATOM 0 HA VAL A 41 1.255 -6.388 3.298 1.00 30.13 H new ATOM 0 HB VAL A 41 3.435 -5.162 3.486 1.00 72.23 H new ATOM 0 HG11 VAL A 41 5.311 -5.819 2.021 1.00 1.45 H new ATOM 0 HG12 VAL A 41 4.964 -7.052 3.257 1.00 1.45 H new ATOM 0 HG13 VAL A 41 4.433 -7.302 1.577 1.00 1.45 H new ATOM 0 HG21 VAL A 41 3.516 -4.361 1.158 1.00 62.21 H new ATOM 0 HG22 VAL A 41 2.530 -5.754 0.652 1.00 62.21 H new ATOM 0 HG23 VAL A 41 1.847 -4.533 1.751 1.00 62.21 H new ATOM 580 N TYR A 42 2.492 -9.203 2.445 1.00 5.40 N ATOM 581 CA TYR A 42 2.335 -10.369 1.578 1.00 41.03 C ATOM 582 C TYR A 42 0.849 -10.693 1.388 1.00 33.05 C ATOM 583 O TYR A 42 0.472 -11.470 0.506 1.00 14.10 O ATOM 584 CB TYR A 42 3.085 -11.573 2.170 1.00 34.04 C ATOM 585 CG TYR A 42 3.044 -12.818 1.300 1.00 21.12 C ATOM 586 CD1 TYR A 42 2.281 -13.926 1.661 1.00 71.23 C ATOM 587 CD2 TYR A 42 3.768 -12.881 0.111 1.00 45.42 C ATOM 588 CE1 TYR A 42 2.240 -15.053 0.863 1.00 12.53 C ATOM 589 CE2 TYR A 42 3.730 -14.006 -0.689 1.00 54.54 C ATOM 590 CZ TYR A 42 2.966 -15.088 -0.308 1.00 72.44 C ATOM 591 OH TYR A 42 2.923 -16.210 -1.105 1.00 25.44 O ATOM 0 H TYR A 42 2.981 -9.397 3.319 1.00 5.40 H new ATOM 0 HA TYR A 42 2.763 -10.144 0.601 1.00 41.03 H new ATOM 0 HB2 TYR A 42 4.125 -11.293 2.337 1.00 34.04 H new ATOM 0 HB3 TYR A 42 2.658 -11.810 3.145 1.00 34.04 H new ATOM 0 HD1 TYR A 42 1.713 -13.904 2.579 1.00 71.23 H new ATOM 0 HD2 TYR A 42 4.369 -12.036 -0.190 1.00 45.42 H new ATOM 0 HE1 TYR A 42 1.642 -15.903 1.156 1.00 12.53 H new ATOM 0 HE2 TYR A 42 4.296 -14.038 -1.608 1.00 54.54 H new ATOM 0 HH TYR A 42 3.489 -16.073 -1.893 1.00 25.44 H new ATOM 601 N GLY A 43 0.010 -10.094 2.230 1.00 12.24 N ATOM 602 CA GLY A 43 -1.424 -10.208 2.071 1.00 62.53 C ATOM 603 C GLY A 43 -1.924 -9.316 0.952 1.00 24.52 C ATOM 604 O GLY A 43 -2.608 -8.324 1.192 1.00 20.43 O ATOM 0 H GLY A 43 0.305 -9.528 3.025 1.00 12.24 H new ATOM 0 HA2 GLY A 43 -1.688 -11.244 1.859 1.00 62.53 H new ATOM 0 HA3 GLY A 43 -1.919 -9.937 3.004 1.00 62.53 H new ATOM 608 N LEU A 44 -1.553 -9.654 -0.275 1.00 12.43 N ATOM 609 CA LEU A 44 -1.962 -8.887 -1.443 1.00 14.43 C ATOM 610 C LEU A 44 -2.738 -9.775 -2.407 1.00 55.45 C ATOM 611 O LEU A 44 -2.427 -10.960 -2.564 1.00 64.10 O ATOM 612 CB LEU A 44 -0.736 -8.233 -2.120 1.00 42.40 C ATOM 613 CG LEU A 44 0.484 -9.148 -2.374 1.00 30.11 C ATOM 614 CD1 LEU A 44 0.273 -10.063 -3.580 1.00 2.43 C ATOM 615 CD2 LEU A 44 1.752 -8.310 -2.550 1.00 55.03 C ATOM 0 H LEU A 44 -0.965 -10.460 -0.488 1.00 12.43 H new ATOM 0 HA LEU A 44 -2.625 -8.081 -1.128 1.00 14.43 H new ATOM 0 HB2 LEU A 44 -1.056 -7.818 -3.076 1.00 42.40 H new ATOM 0 HB3 LEU A 44 -0.411 -7.396 -1.502 1.00 42.40 H new ATOM 0 HG LEU A 44 0.600 -9.788 -1.499 1.00 30.11 H new ATOM 0 HD11 LEU A 44 1.155 -10.688 -3.721 1.00 2.43 H new ATOM 0 HD12 LEU A 44 -0.597 -10.697 -3.408 1.00 2.43 H new ATOM 0 HD13 LEU A 44 0.111 -9.458 -4.472 1.00 2.43 H new ATOM 0 HD21 LEU A 44 2.602 -8.969 -2.728 1.00 55.03 H new ATOM 0 HD22 LEU A 44 1.629 -7.638 -3.400 1.00 55.03 H new ATOM 0 HD23 LEU A 44 1.929 -7.725 -1.648 1.00 55.03 H new ATOM 627 N ASP A 45 -3.769 -9.211 -3.020 1.00 0.33 N ATOM 628 CA ASP A 45 -4.608 -9.943 -3.962 1.00 12.11 C ATOM 629 C ASP A 45 -5.422 -8.971 -4.806 1.00 53.14 C ATOM 630 O ASP A 45 -6.313 -8.295 -4.303 1.00 33.43 O ATOM 631 CB ASP A 45 -5.539 -10.910 -3.215 1.00 65.23 C ATOM 632 CG ASP A 45 -6.505 -11.632 -4.143 1.00 65.24 C ATOM 633 OD1 ASP A 45 -6.042 -12.286 -5.103 1.00 71.34 O ATOM 634 OD2 ASP A 45 -7.727 -11.563 -3.908 1.00 11.11 O ATOM 0 H ASP A 45 -4.047 -8.240 -2.881 1.00 0.33 H new ATOM 0 HA ASP A 45 -3.964 -10.525 -4.621 1.00 12.11 H new ATOM 0 HB2 ASP A 45 -4.938 -11.645 -2.680 1.00 65.23 H new ATOM 0 HB3 ASP A 45 -6.106 -10.356 -2.467 1.00 65.23 H new ATOM 639 N VAL A 46 -5.097 -8.887 -6.086 1.00 60.22 N ATOM 640 CA VAL A 46 -5.777 -7.967 -6.988 1.00 12.40 C ATOM 641 C VAL A 46 -6.929 -8.673 -7.694 1.00 71.25 C ATOM 642 O VAL A 46 -6.736 -9.725 -8.308 1.00 3.31 O ATOM 643 CB VAL A 46 -4.809 -7.390 -8.045 1.00 62.12 C ATOM 644 CG1 VAL A 46 -5.503 -6.330 -8.899 1.00 70.31 C ATOM 645 CG2 VAL A 46 -3.548 -6.834 -7.383 1.00 63.51 C ATOM 0 H VAL A 46 -4.365 -9.445 -6.526 1.00 60.22 H new ATOM 0 HA VAL A 46 -6.162 -7.144 -6.386 1.00 12.40 H new ATOM 0 HB VAL A 46 -4.505 -8.201 -8.707 1.00 62.12 H new ATOM 0 HG11 VAL A 46 -4.801 -5.939 -9.635 1.00 70.31 H new ATOM 0 HG12 VAL A 46 -6.355 -6.776 -9.411 1.00 70.31 H new ATOM 0 HG13 VAL A 46 -5.849 -5.517 -8.260 1.00 70.31 H new ATOM 0 HG21 VAL A 46 -2.882 -6.434 -8.147 1.00 63.51 H new ATOM 0 HG22 VAL A 46 -3.822 -6.040 -6.688 1.00 63.51 H new ATOM 0 HG23 VAL A 46 -3.040 -7.631 -6.841 1.00 63.51 H new ATOM 655 N GLN A 47 -8.123 -8.097 -7.599 1.00 74.40 N ATOM 656 CA GLN A 47 -9.311 -8.662 -8.230 1.00 75.43 C ATOM 657 C GLN A 47 -9.926 -7.667 -9.206 1.00 14.40 C ATOM 658 O GLN A 47 -10.091 -6.486 -8.885 1.00 13.30 O ATOM 659 CB GLN A 47 -10.353 -9.060 -7.175 1.00 74.24 C ATOM 660 CG GLN A 47 -9.893 -10.169 -6.236 1.00 33.24 C ATOM 661 CD GLN A 47 -10.960 -10.575 -5.235 1.00 75.03 C ATOM 662 OE1 GLN A 47 -12.157 -10.485 -5.509 1.00 24.10 O ATOM 663 NE2 GLN A 47 -10.536 -11.034 -4.072 1.00 63.33 N ATOM 0 H GLN A 47 -8.294 -7.232 -7.087 1.00 74.40 H new ATOM 0 HA GLN A 47 -9.005 -9.554 -8.777 1.00 75.43 H new ATOM 0 HB2 GLN A 47 -10.610 -8.181 -6.584 1.00 74.24 H new ATOM 0 HB3 GLN A 47 -11.263 -9.381 -7.681 1.00 74.24 H new ATOM 0 HG2 GLN A 47 -9.604 -11.040 -6.824 1.00 33.24 H new ATOM 0 HG3 GLN A 47 -9.005 -9.838 -5.698 1.00 33.24 H new ATOM 0 HE21 GLN A 47 -9.536 -11.094 -3.881 1.00 63.33 H new ATOM 0 HE22 GLN A 47 -11.209 -11.329 -3.364 1.00 63.33 H new ATOM 672 N ASP A 48 -10.252 -8.145 -10.399 1.00 73.12 N ATOM 673 CA ASP A 48 -10.966 -7.341 -11.384 1.00 54.12 C ATOM 674 C ASP A 48 -12.463 -7.577 -11.231 1.00 5.35 C ATOM 675 O ASP A 48 -12.887 -8.677 -10.872 1.00 21.22 O ATOM 676 CB ASP A 48 -10.521 -7.688 -12.815 1.00 53.51 C ATOM 677 CG ASP A 48 -10.999 -9.061 -13.272 1.00 75.55 C ATOM 678 OD1 ASP A 48 -12.004 -9.138 -14.014 1.00 73.23 O ATOM 679 OD2 ASP A 48 -10.367 -10.073 -12.896 1.00 72.33 O ATOM 0 H ASP A 48 -10.032 -9.091 -10.710 1.00 73.12 H new ATOM 0 HA ASP A 48 -10.736 -6.290 -11.210 1.00 54.12 H new ATOM 0 HB2 ASP A 48 -10.900 -6.931 -13.501 1.00 53.51 H new ATOM 0 HB3 ASP A 48 -9.433 -7.652 -12.870 1.00 53.51 H new ATOM 684 N GLY A 49 -13.258 -6.553 -11.494 1.00 34.21 N ATOM 685 CA GLY A 49 -14.697 -6.679 -11.366 1.00 61.14 C ATOM 686 C GLY A 49 -15.435 -5.633 -12.170 1.00 22.54 C ATOM 687 O GLY A 49 -14.811 -4.774 -12.799 1.00 62.54 O ATOM 0 H GLY A 49 -12.934 -5.634 -11.795 1.00 34.21 H new ATOM 0 HA2 GLY A 49 -15.004 -7.672 -11.696 1.00 61.14 H new ATOM 0 HA3 GLY A 49 -14.976 -6.591 -10.316 1.00 61.14 H new ATOM 691 N ASP A 50 -16.763 -5.705 -12.143 1.00 22.53 N ATOM 692 CA ASP A 50 -17.619 -4.762 -12.868 1.00 64.11 C ATOM 693 C ASP A 50 -17.264 -3.321 -12.520 1.00 41.50 C ATOM 694 O ASP A 50 -17.193 -2.454 -13.390 1.00 15.42 O ATOM 695 CB ASP A 50 -19.095 -5.012 -12.525 1.00 50.32 C ATOM 696 CG ASP A 50 -19.557 -6.409 -12.903 1.00 41.42 C ATOM 697 OD1 ASP A 50 -20.232 -6.558 -13.944 1.00 74.40 O ATOM 698 OD2 ASP A 50 -19.241 -7.363 -12.162 1.00 42.11 O ATOM 0 H ASP A 50 -17.277 -6.415 -11.621 1.00 22.53 H new ATOM 0 HA ASP A 50 -17.457 -4.919 -13.934 1.00 64.11 H new ATOM 0 HB2 ASP A 50 -19.246 -4.861 -11.456 1.00 50.32 H new ATOM 0 HB3 ASP A 50 -19.713 -4.277 -13.041 1.00 50.32 H new ATOM 703 N GLU A 51 -17.014 -3.087 -11.238 1.00 30.12 N ATOM 704 CA GLU A 51 -16.783 -1.741 -10.719 1.00 11.43 C ATOM 705 C GLU A 51 -15.291 -1.387 -10.705 1.00 41.41 C ATOM 706 O GLU A 51 -14.880 -0.449 -10.022 1.00 34.12 O ATOM 707 CB GLU A 51 -17.397 -1.615 -9.315 1.00 72.20 C ATOM 708 CG GLU A 51 -16.867 -2.630 -8.304 1.00 62.01 C ATOM 709 CD GLU A 51 -17.631 -2.592 -6.989 1.00 4.05 C ATOM 710 OE1 GLU A 51 -17.403 -1.664 -6.187 1.00 54.30 O ATOM 711 OE2 GLU A 51 -18.475 -3.482 -6.758 1.00 5.14 O ATOM 0 H GLU A 51 -16.965 -3.820 -10.530 1.00 30.12 H new ATOM 0 HA GLU A 51 -17.270 -1.028 -11.384 1.00 11.43 H new ATOM 0 HB2 GLU A 51 -17.207 -0.610 -8.937 1.00 72.20 H new ATOM 0 HB3 GLU A 51 -18.478 -1.728 -9.393 1.00 72.20 H new ATOM 0 HG2 GLU A 51 -16.932 -3.631 -8.730 1.00 62.01 H new ATOM 0 HG3 GLU A 51 -15.812 -2.433 -8.114 1.00 62.01 H new ATOM 718 N GLY A 52 -14.489 -2.135 -11.465 1.00 73.22 N ATOM 719 CA GLY A 52 -13.071 -1.823 -11.600 1.00 54.14 C ATOM 720 C GLY A 52 -12.170 -2.922 -11.071 1.00 40.11 C ATOM 721 O GLY A 52 -12.646 -3.916 -10.518 1.00 12.14 O ATOM 0 H GLY A 52 -14.796 -2.953 -11.991 1.00 73.22 H new ATOM 0 HA2 GLY A 52 -12.842 -1.647 -12.651 1.00 54.14 H new ATOM 0 HA3 GLY A 52 -12.856 -0.897 -11.067 1.00 54.14 H new ATOM 725 N THR A 53 -10.864 -2.748 -11.259 1.00 55.21 N ATOM 726 CA THR A 53 -9.869 -3.698 -10.769 1.00 12.42 C ATOM 727 C THR A 53 -9.199 -3.154 -9.507 1.00 32.12 C ATOM 728 O THR A 53 -8.425 -2.192 -9.573 1.00 54.44 O ATOM 729 CB THR A 53 -8.790 -3.970 -11.842 1.00 31.25 C ATOM 730 OG1 THR A 53 -9.417 -4.245 -13.106 1.00 63.11 O ATOM 731 CG2 THR A 53 -7.902 -5.148 -11.448 1.00 41.52 C ATOM 0 H THR A 53 -10.467 -1.949 -11.753 1.00 55.21 H new ATOM 0 HA THR A 53 -10.381 -4.632 -10.539 1.00 12.42 H new ATOM 0 HB THR A 53 -8.165 -3.081 -11.924 1.00 31.25 H new ATOM 0 HG1 THR A 53 -8.729 -4.415 -13.783 1.00 63.11 H new ATOM 0 HG21 THR A 53 -7.153 -5.314 -12.223 1.00 41.52 H new ATOM 0 HG22 THR A 53 -7.404 -4.929 -10.503 1.00 41.52 H new ATOM 0 HG23 THR A 53 -8.514 -6.043 -11.336 1.00 41.52 H new ATOM 739 N VAL A 54 -9.501 -3.758 -8.363 1.00 75.21 N ATOM 740 CA VAL A 54 -8.968 -3.293 -7.084 1.00 74.02 C ATOM 741 C VAL A 54 -7.874 -4.227 -6.570 1.00 11.40 C ATOM 742 O VAL A 54 -8.006 -5.450 -6.628 1.00 55.14 O ATOM 743 CB VAL A 54 -10.080 -3.159 -6.008 1.00 21.53 C ATOM 744 CG1 VAL A 54 -11.097 -2.090 -6.409 1.00 51.33 C ATOM 745 CG2 VAL A 54 -10.772 -4.502 -5.758 1.00 24.01 C ATOM 0 H VAL A 54 -10.112 -4.571 -8.293 1.00 75.21 H new ATOM 0 HA VAL A 54 -8.542 -2.306 -7.264 1.00 74.02 H new ATOM 0 HB VAL A 54 -9.608 -2.848 -5.076 1.00 21.53 H new ATOM 0 HG11 VAL A 54 -11.866 -2.013 -5.641 1.00 51.33 H new ATOM 0 HG12 VAL A 54 -10.593 -1.129 -6.514 1.00 51.33 H new ATOM 0 HG13 VAL A 54 -11.558 -2.364 -7.358 1.00 51.33 H new ATOM 0 HG21 VAL A 54 -11.546 -4.377 -5.000 1.00 24.01 H new ATOM 0 HG22 VAL A 54 -11.225 -4.856 -6.684 1.00 24.01 H new ATOM 0 HG23 VAL A 54 -10.039 -5.230 -5.411 1.00 24.01 H new ATOM 755 N ALA A 55 -6.789 -3.640 -6.082 1.00 31.11 N ATOM 756 CA ALA A 55 -5.699 -4.396 -5.481 1.00 24.43 C ATOM 757 C ALA A 55 -5.896 -4.480 -3.968 1.00 61.31 C ATOM 758 O ALA A 55 -5.706 -3.488 -3.261 1.00 54.21 O ATOM 759 CB ALA A 55 -4.362 -3.733 -5.799 1.00 31.32 C ATOM 0 H ALA A 55 -6.640 -2.631 -6.092 1.00 31.11 H new ATOM 0 HA ALA A 55 -5.698 -5.404 -5.895 1.00 24.43 H new ATOM 0 HB1 ALA A 55 -3.554 -4.307 -5.345 1.00 31.32 H new ATOM 0 HB2 ALA A 55 -4.220 -3.700 -6.879 1.00 31.32 H new ATOM 0 HB3 ALA A 55 -4.355 -2.718 -5.401 1.00 31.32 H new ATOM 765 N LEU A 56 -6.313 -5.642 -3.474 1.00 53.03 N ATOM 766 CA LEU A 56 -6.479 -5.845 -2.036 1.00 11.12 C ATOM 767 C LEU A 56 -5.107 -5.900 -1.366 1.00 73.03 C ATOM 768 O LEU A 56 -4.324 -6.815 -1.623 1.00 31.30 O ATOM 769 CB LEU A 56 -7.260 -7.139 -1.748 1.00 42.24 C ATOM 770 CG LEU A 56 -8.633 -7.257 -2.439 1.00 14.13 C ATOM 771 CD1 LEU A 56 -9.293 -8.592 -2.103 1.00 1.33 C ATOM 772 CD2 LEU A 56 -9.543 -6.094 -2.051 1.00 12.43 C ATOM 0 H LEU A 56 -6.542 -6.456 -4.045 1.00 53.03 H new ATOM 0 HA LEU A 56 -7.050 -5.009 -1.631 1.00 11.12 H new ATOM 0 HB2 LEU A 56 -6.647 -7.987 -2.052 1.00 42.24 H new ATOM 0 HB3 LEU A 56 -7.407 -7.221 -0.671 1.00 42.24 H new ATOM 0 HG LEU A 56 -8.472 -7.215 -3.516 1.00 14.13 H new ATOM 0 HD11 LEU A 56 -10.261 -8.655 -2.601 1.00 1.33 H new ATOM 0 HD12 LEU A 56 -8.656 -9.409 -2.443 1.00 1.33 H new ATOM 0 HD13 LEU A 56 -9.434 -8.667 -1.025 1.00 1.33 H new ATOM 0 HD21 LEU A 56 -10.505 -6.202 -2.552 1.00 12.43 H new ATOM 0 HD22 LEU A 56 -9.694 -6.095 -0.972 1.00 12.43 H new ATOM 0 HD23 LEU A 56 -9.080 -5.154 -2.352 1.00 12.43 H new ATOM 784 N ILE A 57 -4.812 -4.903 -0.537 1.00 32.41 N ATOM 785 CA ILE A 57 -3.531 -4.822 0.158 1.00 34.52 C ATOM 786 C ILE A 57 -3.749 -4.813 1.670 1.00 73.31 C ATOM 787 O ILE A 57 -4.325 -3.872 2.219 1.00 45.51 O ATOM 788 CB ILE A 57 -2.739 -3.552 -0.254 1.00 42.35 C ATOM 789 CG1 ILE A 57 -2.533 -3.519 -1.779 1.00 71.22 C ATOM 790 CG2 ILE A 57 -1.393 -3.496 0.470 1.00 61.55 C ATOM 791 CD1 ILE A 57 -1.826 -2.275 -2.276 1.00 0.24 C ATOM 0 H ILE A 57 -5.449 -4.134 -0.329 1.00 32.41 H new ATOM 0 HA ILE A 57 -2.949 -5.699 -0.125 1.00 34.52 H new ATOM 0 HB ILE A 57 -3.319 -2.676 0.036 1.00 42.35 H new ATOM 0 HG12 ILE A 57 -1.958 -4.396 -2.077 1.00 71.22 H new ATOM 0 HG13 ILE A 57 -3.504 -3.593 -2.269 1.00 71.22 H new ATOM 0 HG21 ILE A 57 -0.854 -2.598 0.167 1.00 61.55 H new ATOM 0 HG22 ILE A 57 -1.560 -3.473 1.547 1.00 61.55 H new ATOM 0 HG23 ILE A 57 -0.805 -4.377 0.213 1.00 61.55 H new ATOM 0 HD11 ILE A 57 -1.718 -2.326 -3.359 1.00 0.24 H new ATOM 0 HD12 ILE A 57 -2.410 -1.394 -2.011 1.00 0.24 H new ATOM 0 HD13 ILE A 57 -0.840 -2.209 -1.816 1.00 0.24 H new ATOM 803 N ASP A 58 -3.296 -5.862 2.335 1.00 65.15 N ATOM 804 CA ASP A 58 -3.473 -5.994 3.775 1.00 34.53 C ATOM 805 C ASP A 58 -2.292 -5.365 4.511 1.00 75.30 C ATOM 806 O ASP A 58 -1.149 -5.810 4.372 1.00 24.11 O ATOM 807 CB ASP A 58 -3.630 -7.472 4.161 1.00 72.33 C ATOM 808 CG ASP A 58 -4.804 -8.145 3.453 1.00 74.34 C ATOM 809 OD1 ASP A 58 -5.893 -7.531 3.367 1.00 75.41 O ATOM 810 OD2 ASP A 58 -4.658 -9.303 3.011 1.00 2.44 O ATOM 0 H ASP A 58 -2.800 -6.640 1.900 1.00 65.15 H new ATOM 0 HA ASP A 58 -4.381 -5.467 4.067 1.00 34.53 H new ATOM 0 HB2 ASP A 58 -2.711 -8.006 3.919 1.00 72.33 H new ATOM 0 HB3 ASP A 58 -3.769 -7.549 5.239 1.00 72.33 H new ATOM 815 N MET A 59 -2.572 -4.318 5.284 1.00 43.31 N ATOM 816 CA MET A 59 -1.540 -3.572 6.004 1.00 25.01 C ATOM 817 C MET A 59 -1.870 -3.502 7.492 1.00 74.04 C ATOM 818 O MET A 59 -2.964 -3.886 7.915 1.00 60.44 O ATOM 819 CB MET A 59 -1.400 -2.153 5.428 1.00 34.55 C ATOM 820 CG MET A 59 -0.929 -2.115 3.978 1.00 23.40 C ATOM 821 SD MET A 59 -0.772 -0.434 3.333 1.00 54.43 S ATOM 822 CE MET A 59 0.428 0.267 4.468 1.00 23.15 C ATOM 0 H MET A 59 -3.517 -3.963 5.429 1.00 43.31 H new ATOM 0 HA MET A 59 -0.592 -4.095 5.880 1.00 25.01 H new ATOM 0 HB2 MET A 59 -2.362 -1.646 5.500 1.00 34.55 H new ATOM 0 HB3 MET A 59 -0.697 -1.590 6.042 1.00 34.55 H new ATOM 0 HG2 MET A 59 0.034 -2.620 3.901 1.00 23.40 H new ATOM 0 HG3 MET A 59 -1.632 -2.672 3.358 1.00 23.40 H new ATOM 0 HE1 MET A 59 0.876 1.155 4.021 1.00 23.15 H new ATOM 0 HE2 MET A 59 -0.068 0.540 5.399 1.00 23.15 H new ATOM 0 HE3 MET A 59 1.206 -0.468 4.674 1.00 23.15 H new ATOM 832 N THR A 60 -0.921 -3.020 8.285 1.00 0.25 N ATOM 833 CA THR A 60 -1.108 -2.910 9.724 1.00 73.41 C ATOM 834 C THR A 60 -0.561 -1.582 10.239 1.00 22.13 C ATOM 835 O THR A 60 0.363 -1.008 9.656 1.00 0.10 O ATOM 836 CB THR A 60 -0.417 -4.078 10.472 1.00 73.10 C ATOM 837 OG1 THR A 60 -0.753 -4.043 11.865 1.00 12.40 O ATOM 838 CG2 THR A 60 1.101 -4.022 10.310 1.00 24.52 C ATOM 0 H THR A 60 -0.012 -2.698 7.953 1.00 0.25 H new ATOM 0 HA THR A 60 -2.180 -2.957 9.918 1.00 73.41 H new ATOM 0 HB THR A 60 -0.775 -5.010 10.034 1.00 73.10 H new ATOM 0 HG1 THR A 60 -1.645 -4.427 11.996 1.00 12.40 H new ATOM 0 HG21 THR A 60 1.555 -4.855 10.847 1.00 24.52 H new ATOM 0 HG22 THR A 60 1.357 -4.089 9.253 1.00 24.52 H new ATOM 0 HG23 THR A 60 1.476 -3.082 10.715 1.00 24.52 H new ATOM 846 N LEU A 61 -1.165 -1.088 11.312 1.00 21.23 N ATOM 847 CA LEU A 61 -0.684 0.094 12.017 1.00 2.33 C ATOM 848 C LEU A 61 -0.319 -0.313 13.442 1.00 5.13 C ATOM 849 O LEU A 61 -0.963 -1.197 14.011 1.00 53.44 O ATOM 850 CB LEU A 61 -1.747 1.214 12.039 1.00 13.35 C ATOM 851 CG LEU A 61 -2.083 1.882 10.686 1.00 21.03 C ATOM 852 CD1 LEU A 61 -0.821 2.413 10.002 1.00 42.21 C ATOM 853 CD2 LEU A 61 -2.845 0.927 9.766 1.00 2.54 C ATOM 0 H LEU A 61 -2.006 -1.497 11.720 1.00 21.23 H new ATOM 0 HA LEU A 61 0.189 0.489 11.497 1.00 2.33 H new ATOM 0 HB2 LEU A 61 -2.667 0.801 12.452 1.00 13.35 H new ATOM 0 HB3 LEU A 61 -1.409 1.990 12.726 1.00 13.35 H new ATOM 0 HG LEU A 61 -2.734 2.731 10.893 1.00 21.03 H new ATOM 0 HD11 LEU A 61 -1.089 2.877 9.053 1.00 42.21 H new ATOM 0 HD12 LEU A 61 -0.342 3.152 10.645 1.00 42.21 H new ATOM 0 HD13 LEU A 61 -0.131 1.589 9.821 1.00 42.21 H new ATOM 0 HD21 LEU A 61 -3.066 1.428 8.824 1.00 2.54 H new ATOM 0 HD22 LEU A 61 -2.236 0.044 9.573 1.00 2.54 H new ATOM 0 HD23 LEU A 61 -3.777 0.627 10.244 1.00 2.54 H new ATOM 865 N THR A 62 0.690 0.343 14.013 1.00 33.21 N ATOM 866 CA THR A 62 1.251 -0.037 15.313 1.00 12.55 C ATOM 867 C THR A 62 0.165 -0.402 16.343 1.00 11.54 C ATOM 868 O THR A 62 0.217 -1.474 16.953 1.00 63.01 O ATOM 869 CB THR A 62 2.142 1.097 15.870 1.00 43.14 C ATOM 870 OG1 THR A 62 3.079 1.510 14.862 1.00 42.11 O ATOM 871 CG2 THR A 62 2.897 0.646 17.120 1.00 21.55 C ATOM 0 H THR A 62 1.143 1.153 13.589 1.00 33.21 H new ATOM 0 HA THR A 62 1.854 -0.929 15.145 1.00 12.55 H new ATOM 0 HB THR A 62 1.499 1.933 16.145 1.00 43.14 H new ATOM 0 HG1 THR A 62 3.643 2.230 15.215 1.00 42.11 H new ATOM 0 HG21 THR A 62 3.515 1.466 17.488 1.00 21.55 H new ATOM 0 HG22 THR A 62 2.183 0.355 17.891 1.00 21.55 H new ATOM 0 HG23 THR A 62 3.532 -0.205 16.874 1.00 21.55 H new ATOM 879 N SER A 63 -0.819 0.478 16.522 1.00 1.24 N ATOM 880 CA SER A 63 -1.914 0.225 17.462 1.00 24.21 C ATOM 881 C SER A 63 -3.255 0.141 16.723 1.00 23.23 C ATOM 882 O SER A 63 -4.311 0.052 17.350 1.00 10.02 O ATOM 883 CB SER A 63 -1.952 1.329 18.533 1.00 70.04 C ATOM 884 OG SER A 63 -2.914 1.055 19.542 1.00 34.54 O ATOM 0 H SER A 63 -0.882 1.370 16.031 1.00 1.24 H new ATOM 0 HA SER A 63 -1.740 -0.733 17.952 1.00 24.21 H new ATOM 0 HB2 SER A 63 -0.966 1.427 18.988 1.00 70.04 H new ATOM 0 HB3 SER A 63 -2.182 2.284 18.062 1.00 70.04 H new ATOM 0 HG SER A 63 -3.664 0.559 19.153 1.00 34.54 H new ATOM 890 N ALA A 64 -3.201 0.169 15.388 1.00 32.13 N ATOM 891 CA ALA A 64 -4.402 0.112 14.540 1.00 22.51 C ATOM 892 C ALA A 64 -5.358 1.286 14.804 1.00 14.24 C ATOM 893 O ALA A 64 -6.468 1.323 14.275 1.00 71.34 O ATOM 894 CB ALA A 64 -5.125 -1.220 14.725 1.00 31.22 C ATOM 0 H ALA A 64 -2.328 0.232 14.863 1.00 32.13 H new ATOM 0 HA ALA A 64 -4.070 0.195 13.505 1.00 22.51 H new ATOM 0 HB1 ALA A 64 -6.011 -1.244 14.090 1.00 31.22 H new ATOM 0 HB2 ALA A 64 -4.458 -2.037 14.449 1.00 31.22 H new ATOM 0 HB3 ALA A 64 -5.423 -1.331 15.768 1.00 31.22 H new ATOM 900 N ALA A 65 -4.907 2.254 15.599 1.00 75.21 N ATOM 901 CA ALA A 65 -5.681 3.462 15.889 1.00 52.54 C ATOM 902 C ALA A 65 -4.900 4.685 15.424 1.00 74.53 C ATOM 903 O ALA A 65 -5.186 5.820 15.812 1.00 3.50 O ATOM 904 CB ALA A 65 -5.992 3.549 17.383 1.00 12.50 C ATOM 0 H ALA A 65 -3.997 2.225 16.060 1.00 75.21 H new ATOM 0 HA ALA A 65 -6.629 3.423 15.353 1.00 52.54 H new ATOM 0 HB1 ALA A 65 -6.568 4.453 17.583 1.00 12.50 H new ATOM 0 HB2 ALA A 65 -6.570 2.676 17.686 1.00 12.50 H new ATOM 0 HB3 ALA A 65 -5.060 3.581 17.947 1.00 12.50 H new ATOM 910 N CYS A 66 -3.910 4.425 14.577 1.00 42.35 N ATOM 911 CA CYS A 66 -3.014 5.456 14.081 1.00 34.44 C ATOM 912 C CYS A 66 -3.733 6.364 13.081 1.00 4.22 C ATOM 913 O CYS A 66 -4.411 5.880 12.170 1.00 14.25 O ATOM 914 CB CYS A 66 -1.804 4.798 13.408 1.00 44.43 C ATOM 915 SG CYS A 66 -1.102 3.427 14.353 1.00 3.02 S ATOM 0 H CYS A 66 -3.708 3.492 14.217 1.00 42.35 H new ATOM 0 HA CYS A 66 -2.682 6.066 14.921 1.00 34.44 H new ATOM 0 HB2 CYS A 66 -2.100 4.435 12.424 1.00 44.43 H new ATOM 0 HB3 CYS A 66 -1.033 5.552 13.251 1.00 44.43 H new ATOM 0 HG CYS A 66 -2.004 2.505 14.516 1.00 3.02 H new ATOM 921 N PRO A 67 -3.586 7.695 13.225 1.00 34.41 N ATOM 922 CA PRO A 67 -4.170 8.659 12.283 1.00 75.32 C ATOM 923 C PRO A 67 -3.444 8.644 10.935 1.00 2.11 C ATOM 924 O PRO A 67 -3.848 9.316 9.989 1.00 14.34 O ATOM 925 CB PRO A 67 -3.981 10.007 12.994 1.00 0.11 C ATOM 926 CG PRO A 67 -2.790 9.802 13.867 1.00 14.52 C ATOM 927 CD PRO A 67 -2.851 8.367 14.319 1.00 13.44 C ATOM 0 HA PRO A 67 -5.211 8.437 12.049 1.00 75.32 H new ATOM 0 HB2 PRO A 67 -3.816 10.813 12.279 1.00 0.11 H new ATOM 0 HB3 PRO A 67 -4.861 10.275 13.579 1.00 0.11 H new ATOM 0 HG2 PRO A 67 -1.867 10.001 13.322 1.00 14.52 H new ATOM 0 HG3 PRO A 67 -2.809 10.481 14.719 1.00 14.52 H new ATOM 0 HD2 PRO A 67 -1.855 7.945 14.453 1.00 13.44 H new ATOM 0 HD3 PRO A 67 -3.370 8.268 15.272 1.00 13.44 H new ATOM 935 N LEU A 68 -2.386 7.841 10.851 1.00 44.23 N ATOM 936 CA LEU A 68 -1.553 7.766 9.654 1.00 60.42 C ATOM 937 C LEU A 68 -2.194 6.881 8.591 1.00 32.24 C ATOM 938 O LEU A 68 -1.639 6.707 7.509 1.00 13.03 O ATOM 939 CB LEU A 68 -0.162 7.220 10.008 1.00 75.21 C ATOM 940 CG LEU A 68 0.650 8.073 10.993 1.00 12.41 C ATOM 941 CD1 LEU A 68 1.979 7.397 11.314 1.00 5.54 C ATOM 942 CD2 LEU A 68 0.875 9.477 10.429 1.00 61.51 C ATOM 0 H LEU A 68 -2.083 7.227 11.607 1.00 44.23 H new ATOM 0 HA LEU A 68 -1.456 8.774 9.252 1.00 60.42 H new ATOM 0 HB2 LEU A 68 -0.279 6.222 10.429 1.00 75.21 H new ATOM 0 HB3 LEU A 68 0.412 7.113 9.088 1.00 75.21 H new ATOM 0 HG LEU A 68 0.083 8.167 11.919 1.00 12.41 H new ATOM 0 HD11 LEU A 68 2.542 8.015 12.013 1.00 5.54 H new ATOM 0 HD12 LEU A 68 1.792 6.421 11.762 1.00 5.54 H new ATOM 0 HD13 LEU A 68 2.554 7.271 10.397 1.00 5.54 H new ATOM 0 HD21 LEU A 68 1.452 10.067 11.141 1.00 61.51 H new ATOM 0 HD22 LEU A 68 1.421 9.408 9.488 1.00 61.51 H new ATOM 0 HD23 LEU A 68 -0.088 9.958 10.255 1.00 61.51 H new ATOM 954 N THR A 69 -3.362 6.325 8.899 1.00 10.43 N ATOM 955 CA THR A 69 -4.036 5.426 7.975 1.00 31.13 C ATOM 956 C THR A 69 -4.400 6.160 6.679 1.00 33.12 C ATOM 957 O THR A 69 -4.079 5.696 5.587 1.00 42.42 O ATOM 958 CB THR A 69 -5.288 4.776 8.619 1.00 55.14 C ATOM 959 OG1 THR A 69 -5.841 3.795 7.734 1.00 52.01 O ATOM 960 CG2 THR A 69 -6.356 5.808 8.973 1.00 14.11 C ATOM 0 H THR A 69 -3.857 6.481 9.777 1.00 10.43 H new ATOM 0 HA THR A 69 -3.344 4.620 7.731 1.00 31.13 H new ATOM 0 HB THR A 69 -4.966 4.301 9.546 1.00 55.14 H new ATOM 0 HG1 THR A 69 -6.049 2.980 8.238 1.00 52.01 H new ATOM 0 HG21 THR A 69 -7.213 5.305 9.421 1.00 14.11 H new ATOM 0 HG22 THR A 69 -5.946 6.527 9.682 1.00 14.11 H new ATOM 0 HG23 THR A 69 -6.672 6.329 8.069 1.00 14.11 H new ATOM 968 N ASP A 70 -5.017 7.335 6.812 1.00 34.45 N ATOM 969 CA ASP A 70 -5.372 8.159 5.656 1.00 30.23 C ATOM 970 C ASP A 70 -4.109 8.534 4.880 1.00 14.34 C ATOM 971 O ASP A 70 -4.125 8.658 3.655 1.00 4.25 O ATOM 972 CB ASP A 70 -6.112 9.426 6.118 1.00 43.13 C ATOM 973 CG ASP A 70 -6.653 10.268 4.964 1.00 42.30 C ATOM 974 OD1 ASP A 70 -5.898 11.106 4.422 1.00 50.30 O ATOM 975 OD2 ASP A 70 -7.846 10.120 4.618 1.00 71.24 O ATOM 0 H ASP A 70 -5.282 7.738 7.711 1.00 34.45 H new ATOM 0 HA ASP A 70 -6.032 7.591 5.001 1.00 30.23 H new ATOM 0 HB2 ASP A 70 -6.939 9.138 6.767 1.00 43.13 H new ATOM 0 HB3 ASP A 70 -5.435 10.035 6.716 1.00 43.13 H new ATOM 980 N VAL A 71 -3.006 8.692 5.610 1.00 32.04 N ATOM 981 CA VAL A 71 -1.725 9.046 5.008 1.00 11.41 C ATOM 982 C VAL A 71 -1.197 7.905 4.138 1.00 21.14 C ATOM 983 O VAL A 71 -0.880 8.112 2.965 1.00 45.50 O ATOM 984 CB VAL A 71 -0.662 9.402 6.078 1.00 42.24 C ATOM 985 CG1 VAL A 71 0.679 9.748 5.424 1.00 73.55 C ATOM 986 CG2 VAL A 71 -1.150 10.550 6.962 1.00 15.53 C ATOM 0 H VAL A 71 -2.976 8.580 6.623 1.00 32.04 H new ATOM 0 HA VAL A 71 -1.903 9.926 4.389 1.00 11.41 H new ATOM 0 HB VAL A 71 -0.510 8.527 6.710 1.00 42.24 H new ATOM 0 HG11 VAL A 71 1.408 9.994 6.196 1.00 73.55 H new ATOM 0 HG12 VAL A 71 1.035 8.893 4.849 1.00 73.55 H new ATOM 0 HG13 VAL A 71 0.550 10.603 4.761 1.00 73.55 H new ATOM 0 HG21 VAL A 71 -0.389 10.785 7.707 1.00 15.53 H new ATOM 0 HG22 VAL A 71 -1.338 11.429 6.346 1.00 15.53 H new ATOM 0 HG23 VAL A 71 -2.071 10.256 7.465 1.00 15.53 H new ATOM 996 N ILE A 72 -1.120 6.697 4.703 1.00 55.33 N ATOM 997 CA ILE A 72 -0.564 5.558 3.974 1.00 43.42 C ATOM 998 C ILE A 72 -1.481 5.151 2.821 1.00 73.34 C ATOM 999 O ILE A 72 -1.006 4.768 1.746 1.00 64.23 O ATOM 1000 CB ILE A 72 -0.255 4.348 4.912 1.00 15.21 C ATOM 1001 CG1 ILE A 72 -1.490 3.897 5.728 1.00 5.20 C ATOM 1002 CG2 ILE A 72 0.899 4.698 5.852 1.00 13.01 C ATOM 1003 CD1 ILE A 72 -2.405 2.920 5.012 1.00 3.10 C ATOM 0 H ILE A 72 -1.432 6.485 5.651 1.00 55.33 H new ATOM 0 HA ILE A 72 0.390 5.877 3.554 1.00 43.42 H new ATOM 0 HB ILE A 72 0.029 3.510 4.275 1.00 15.21 H new ATOM 0 HG12 ILE A 72 -1.147 3.439 6.656 1.00 5.20 H new ATOM 0 HG13 ILE A 72 -2.068 4.779 6.003 1.00 5.20 H new ATOM 0 HG21 ILE A 72 1.108 3.849 6.503 1.00 13.01 H new ATOM 0 HG22 ILE A 72 1.787 4.933 5.266 1.00 13.01 H new ATOM 0 HG23 ILE A 72 0.625 5.561 6.458 1.00 13.01 H new ATOM 0 HD11 ILE A 72 -3.241 2.662 5.662 1.00 3.10 H new ATOM 0 HD12 ILE A 72 -2.783 3.379 4.098 1.00 3.10 H new ATOM 0 HD13 ILE A 72 -1.848 2.017 4.761 1.00 3.10 H new ATOM 1015 N GLU A 73 -2.792 5.264 3.045 1.00 3.15 N ATOM 1016 CA GLU A 73 -3.776 5.052 1.988 1.00 10.45 C ATOM 1017 C GLU A 73 -3.508 6.021 0.849 1.00 45.34 C ATOM 1018 O GLU A 73 -3.387 5.620 -0.304 1.00 33.53 O ATOM 1019 CB GLU A 73 -5.206 5.254 2.520 1.00 14.53 C ATOM 1020 CG GLU A 73 -5.687 4.138 3.440 1.00 63.02 C ATOM 1021 CD GLU A 73 -7.061 4.418 4.035 1.00 1.14 C ATOM 1022 OE1 GLU A 73 -8.038 4.535 3.263 1.00 22.21 O ATOM 1023 OE2 GLU A 73 -7.170 4.512 5.275 1.00 73.43 O ATOM 0 H GLU A 73 -3.195 5.502 3.952 1.00 3.15 H new ATOM 0 HA GLU A 73 -3.688 4.027 1.629 1.00 10.45 H new ATOM 0 HB2 GLU A 73 -5.252 6.201 3.059 1.00 14.53 H new ATOM 0 HB3 GLU A 73 -5.889 5.334 1.675 1.00 14.53 H new ATOM 0 HG2 GLU A 73 -5.721 3.202 2.882 1.00 63.02 H new ATOM 0 HG3 GLU A 73 -4.967 4.002 4.247 1.00 63.02 H new ATOM 1030 N ASP A 74 -3.378 7.293 1.198 1.00 21.21 N ATOM 1031 CA ASP A 74 -3.151 8.350 0.222 1.00 64.13 C ATOM 1032 C ASP A 74 -1.896 8.074 -0.607 1.00 13.33 C ATOM 1033 O ASP A 74 -1.948 8.072 -1.837 1.00 10.21 O ATOM 1034 CB ASP A 74 -3.025 9.698 0.943 1.00 24.12 C ATOM 1035 CG ASP A 74 -2.902 10.877 -0.007 1.00 24.11 C ATOM 1036 OD1 ASP A 74 -1.773 11.198 -0.425 1.00 4.31 O ATOM 1037 OD2 ASP A 74 -3.938 11.501 -0.331 1.00 35.14 O ATOM 0 H ASP A 74 -3.427 7.621 2.163 1.00 21.21 H new ATOM 0 HA ASP A 74 -4.002 8.381 -0.459 1.00 64.13 H new ATOM 0 HB2 ASP A 74 -3.896 9.844 1.581 1.00 24.12 H new ATOM 0 HB3 ASP A 74 -2.152 9.673 1.596 1.00 24.12 H new ATOM 1042 N GLN A 75 -0.781 7.800 0.074 1.00 72.15 N ATOM 1043 CA GLN A 75 0.500 7.577 -0.604 1.00 75.14 C ATOM 1044 C GLN A 75 0.413 6.378 -1.546 1.00 54.32 C ATOM 1045 O GLN A 75 0.660 6.496 -2.750 1.00 62.33 O ATOM 1046 CB GLN A 75 1.634 7.347 0.413 1.00 44.02 C ATOM 1047 CG GLN A 75 1.796 8.462 1.444 1.00 4.41 C ATOM 1048 CD GLN A 75 1.973 9.835 0.819 1.00 41.22 C ATOM 1049 OE1 GLN A 75 3.091 10.269 0.538 1.00 33.24 O ATOM 1050 NE2 GLN A 75 0.869 10.531 0.610 1.00 51.34 N ATOM 0 H GLN A 75 -0.738 7.727 1.090 1.00 72.15 H new ATOM 0 HA GLN A 75 0.723 8.473 -1.183 1.00 75.14 H new ATOM 0 HB2 GLN A 75 1.450 6.409 0.937 1.00 44.02 H new ATOM 0 HB3 GLN A 75 2.573 7.231 -0.129 1.00 44.02 H new ATOM 0 HG2 GLN A 75 0.921 8.476 2.094 1.00 4.41 H new ATOM 0 HG3 GLN A 75 2.658 8.243 2.074 1.00 4.41 H new ATOM 0 HE21 GLN A 75 -0.038 10.135 0.857 1.00 51.34 H new ATOM 0 HE22 GLN A 75 0.924 11.464 0.202 1.00 51.34 H new ATOM 1059 N SER A 76 0.041 5.228 -0.990 1.00 40.12 N ATOM 1060 CA SER A 76 -0.009 3.985 -1.749 1.00 20.22 C ATOM 1061 C SER A 76 -1.010 4.098 -2.902 1.00 40.11 C ATOM 1062 O SER A 76 -0.664 3.874 -4.065 1.00 22.25 O ATOM 1063 CB SER A 76 -0.382 2.817 -0.823 1.00 45.54 C ATOM 1064 OG SER A 76 -0.345 1.578 -1.509 1.00 53.51 O ATOM 0 H SER A 76 -0.231 5.133 -0.012 1.00 40.12 H new ATOM 0 HA SER A 76 0.977 3.794 -2.173 1.00 20.22 H new ATOM 0 HB2 SER A 76 0.306 2.787 0.022 1.00 45.54 H new ATOM 0 HB3 SER A 76 -1.380 2.979 -0.416 1.00 45.54 H new ATOM 0 HG SER A 76 -0.585 0.855 -0.892 1.00 53.51 H new ATOM 1070 N ARG A 77 -2.240 4.484 -2.573 1.00 74.11 N ATOM 1071 CA ARG A 77 -3.320 4.566 -3.554 1.00 50.22 C ATOM 1072 C ARG A 77 -2.929 5.498 -4.702 1.00 54.03 C ATOM 1073 O ARG A 77 -3.061 5.146 -5.878 1.00 4.21 O ATOM 1074 CB ARG A 77 -4.596 5.055 -2.847 1.00 54.55 C ATOM 1075 CG ARG A 77 -5.908 4.665 -3.515 1.00 74.04 C ATOM 1076 CD ARG A 77 -6.331 5.632 -4.613 1.00 11.31 C ATOM 1077 NE ARG A 77 -7.767 5.522 -4.856 1.00 32.33 N ATOM 1078 CZ ARG A 77 -8.689 6.145 -4.119 1.00 54.24 C ATOM 1079 NH1 ARG A 77 -8.324 7.083 -3.251 1.00 33.24 N ATOM 1080 NH2 ARG A 77 -9.974 5.853 -4.275 1.00 11.40 N ATOM 0 H ARG A 77 -2.515 4.747 -1.627 1.00 74.11 H new ATOM 0 HA ARG A 77 -3.507 3.582 -3.984 1.00 50.22 H new ATOM 0 HB2 ARG A 77 -4.598 4.666 -1.829 1.00 54.55 H new ATOM 0 HB3 ARG A 77 -4.555 6.142 -2.773 1.00 54.55 H new ATOM 0 HG2 ARG A 77 -5.810 3.665 -3.938 1.00 74.04 H new ATOM 0 HG3 ARG A 77 -6.693 4.616 -2.760 1.00 74.04 H new ATOM 0 HD2 ARG A 77 -6.081 6.653 -4.325 1.00 11.31 H new ATOM 0 HD3 ARG A 77 -5.782 5.416 -5.529 1.00 11.31 H new ATOM 0 HE ARG A 77 -8.082 4.938 -5.630 1.00 32.33 H new ATOM 0 HH11 ARG A 77 -7.339 7.327 -3.148 1.00 33.24 H new ATOM 0 HH12 ARG A 77 -9.029 7.559 -2.688 1.00 33.24 H new ATOM 0 HH21 ARG A 77 -10.258 5.152 -4.959 1.00 11.40 H new ATOM 0 HH22 ARG A 77 -10.677 6.330 -3.711 1.00 11.40 H new ATOM 1094 N SER A 78 -2.402 6.664 -4.343 1.00 73.35 N ATOM 1095 CA SER A 78 -2.023 7.685 -5.315 1.00 11.40 C ATOM 1096 C SER A 78 -0.984 7.144 -6.300 1.00 4.15 C ATOM 1097 O SER A 78 -1.086 7.369 -7.508 1.00 35.11 O ATOM 1098 CB SER A 78 -1.472 8.919 -4.587 1.00 24.42 C ATOM 1099 OG SER A 78 -1.311 10.025 -5.459 1.00 44.22 O ATOM 0 H SER A 78 -2.226 6.928 -3.374 1.00 73.35 H new ATOM 0 HA SER A 78 -2.910 7.969 -5.881 1.00 11.40 H new ATOM 0 HB2 SER A 78 -2.147 9.193 -3.776 1.00 24.42 H new ATOM 0 HB3 SER A 78 -0.512 8.673 -4.133 1.00 24.42 H new ATOM 0 HG SER A 78 -0.960 10.790 -4.956 1.00 44.22 H new ATOM 1105 N ALA A 79 0.008 6.416 -5.789 1.00 54.45 N ATOM 1106 CA ALA A 79 1.079 5.907 -6.638 1.00 54.01 C ATOM 1107 C ALA A 79 0.581 4.759 -7.512 1.00 71.10 C ATOM 1108 O ALA A 79 0.686 4.817 -8.740 1.00 72.25 O ATOM 1109 CB ALA A 79 2.262 5.456 -5.788 1.00 70.02 C ATOM 0 H ALA A 79 0.091 6.169 -4.803 1.00 54.45 H new ATOM 0 HA ALA A 79 1.408 6.714 -7.293 1.00 54.01 H new ATOM 0 HB1 ALA A 79 3.053 5.079 -6.436 1.00 70.02 H new ATOM 0 HB2 ALA A 79 2.638 6.301 -5.210 1.00 70.02 H new ATOM 0 HB3 ALA A 79 1.942 4.666 -5.109 1.00 70.02 H new ATOM 1115 N LEU A 80 -0.050 3.767 -6.882 1.00 64.42 N ATOM 1116 CA LEU A 80 -0.525 2.576 -7.593 1.00 50.15 C ATOM 1117 C LEU A 80 -1.457 2.965 -8.739 1.00 11.23 C ATOM 1118 O LEU A 80 -1.381 2.402 -9.837 1.00 2.11 O ATOM 1119 CB LEU A 80 -1.228 1.598 -6.629 1.00 53.11 C ATOM 1120 CG LEU A 80 -0.304 0.621 -5.867 1.00 61.03 C ATOM 1121 CD1 LEU A 80 0.377 -0.345 -6.833 1.00 4.22 C ATOM 1122 CD2 LEU A 80 0.740 1.371 -5.042 1.00 22.34 C ATOM 0 H LEU A 80 -0.245 3.763 -5.881 1.00 64.42 H new ATOM 0 HA LEU A 80 0.343 2.069 -8.014 1.00 50.15 H new ATOM 0 HB2 LEU A 80 -1.791 2.179 -5.899 1.00 53.11 H new ATOM 0 HB3 LEU A 80 -1.952 1.014 -7.198 1.00 53.11 H new ATOM 0 HG LEU A 80 -0.927 0.047 -5.181 1.00 61.03 H new ATOM 0 HD11 LEU A 80 1.022 -1.023 -6.275 1.00 4.22 H new ATOM 0 HD12 LEU A 80 -0.380 -0.921 -7.366 1.00 4.22 H new ATOM 0 HD13 LEU A 80 0.975 0.218 -7.549 1.00 4.22 H new ATOM 0 HD21 LEU A 80 1.373 0.655 -4.519 1.00 22.34 H new ATOM 0 HD22 LEU A 80 1.354 1.984 -5.702 1.00 22.34 H new ATOM 0 HD23 LEU A 80 0.239 2.011 -4.315 1.00 22.34 H new ATOM 1134 N VAL A 81 -2.323 3.938 -8.479 1.00 33.25 N ATOM 1135 CA VAL A 81 -3.220 4.460 -9.503 1.00 40.33 C ATOM 1136 C VAL A 81 -2.462 5.392 -10.455 1.00 31.52 C ATOM 1137 O VAL A 81 -2.812 5.509 -11.631 1.00 1.43 O ATOM 1138 CB VAL A 81 -4.429 5.201 -8.872 1.00 44.43 C ATOM 1139 CG1 VAL A 81 -5.346 5.785 -9.949 1.00 63.25 C ATOM 1140 CG2 VAL A 81 -5.209 4.259 -7.951 1.00 51.04 C ATOM 0 H VAL A 81 -2.423 4.382 -7.566 1.00 33.25 H new ATOM 0 HA VAL A 81 -3.605 3.613 -10.071 1.00 40.33 H new ATOM 0 HB VAL A 81 -4.044 6.030 -8.279 1.00 44.43 H new ATOM 0 HG11 VAL A 81 -6.183 6.298 -9.475 1.00 63.25 H new ATOM 0 HG12 VAL A 81 -4.785 6.493 -10.559 1.00 63.25 H new ATOM 0 HG13 VAL A 81 -5.723 4.981 -10.581 1.00 63.25 H new ATOM 0 HG21 VAL A 81 -6.054 4.793 -7.516 1.00 51.04 H new ATOM 0 HG22 VAL A 81 -5.575 3.408 -8.526 1.00 51.04 H new ATOM 0 HG23 VAL A 81 -4.555 3.904 -7.155 1.00 51.04 H new ATOM 1150 N GLY A 82 -1.399 6.025 -9.950 1.00 24.45 N ATOM 1151 CA GLY A 82 -0.681 7.017 -10.733 1.00 40.00 C ATOM 1152 C GLY A 82 0.051 6.389 -11.899 1.00 74.45 C ATOM 1153 O GLY A 82 -0.030 6.870 -13.034 1.00 40.35 O ATOM 0 H GLY A 82 -1.026 5.867 -9.014 1.00 24.45 H new ATOM 0 HA2 GLY A 82 -1.382 7.765 -11.104 1.00 40.00 H new ATOM 0 HA3 GLY A 82 0.032 7.538 -10.094 1.00 40.00 H new ATOM 1157 N SER A 83 0.768 5.311 -11.616 1.00 4.40 N ATOM 1158 CA SER A 83 1.454 4.554 -12.651 1.00 31.12 C ATOM 1159 C SER A 83 0.453 3.678 -13.411 1.00 22.11 C ATOM 1160 O SER A 83 0.687 3.303 -14.562 1.00 42.52 O ATOM 1161 CB SER A 83 2.554 3.705 -12.018 1.00 61.43 C ATOM 1162 OG SER A 83 3.432 4.508 -11.241 1.00 11.31 O ATOM 0 H SER A 83 0.890 4.940 -10.674 1.00 4.40 H new ATOM 0 HA SER A 83 1.912 5.241 -13.363 1.00 31.12 H new ATOM 0 HB2 SER A 83 2.108 2.935 -11.389 1.00 61.43 H new ATOM 0 HB3 SER A 83 3.118 3.193 -12.798 1.00 61.43 H new ATOM 0 HG SER A 83 3.940 3.938 -10.627 1.00 11.31 H new ATOM 1168 N GLY A 84 -0.674 3.376 -12.764 1.00 32.41 N ATOM 1169 CA GLY A 84 -1.743 2.634 -13.412 1.00 11.43 C ATOM 1170 C GLY A 84 -1.592 1.130 -13.283 1.00 44.05 C ATOM 1171 O GLY A 84 -2.097 0.380 -14.125 1.00 22.42 O ATOM 0 H GLY A 84 -0.864 3.635 -11.796 1.00 32.41 H new ATOM 0 HA2 GLY A 84 -2.698 2.935 -12.981 1.00 11.43 H new ATOM 0 HA3 GLY A 84 -1.772 2.900 -14.469 1.00 11.43 H new ATOM 1175 N LEU A 85 -0.911 0.679 -12.227 1.00 50.12 N ATOM 1176 CA LEU A 85 -0.737 -0.756 -11.983 1.00 23.54 C ATOM 1177 C LEU A 85 -2.092 -1.419 -11.756 1.00 43.52 C ATOM 1178 O LEU A 85 -2.308 -2.572 -12.131 1.00 61.55 O ATOM 1179 CB LEU A 85 0.184 -1.003 -10.777 1.00 63.14 C ATOM 1180 CG LEU A 85 1.660 -0.626 -10.991 1.00 13.23 C ATOM 1181 CD1 LEU A 85 2.472 -0.852 -9.716 1.00 73.42 C ATOM 1182 CD2 LEU A 85 2.255 -1.419 -12.155 1.00 22.32 C ATOM 0 H LEU A 85 -0.473 1.282 -11.531 1.00 50.12 H new ATOM 0 HA LEU A 85 -0.269 -1.196 -12.863 1.00 23.54 H new ATOM 0 HB2 LEU A 85 -0.199 -0.439 -9.927 1.00 63.14 H new ATOM 0 HB3 LEU A 85 0.130 -2.058 -10.510 1.00 63.14 H new ATOM 0 HG LEU A 85 1.705 0.435 -11.238 1.00 13.23 H new ATOM 0 HD11 LEU A 85 3.512 -0.578 -9.894 1.00 73.42 H new ATOM 0 HD12 LEU A 85 2.067 -0.237 -8.913 1.00 73.42 H new ATOM 0 HD13 LEU A 85 2.417 -1.903 -9.431 1.00 73.42 H new ATOM 0 HD21 LEU A 85 3.299 -1.138 -12.290 1.00 22.32 H new ATOM 0 HD22 LEU A 85 2.191 -2.485 -11.939 1.00 22.32 H new ATOM 0 HD23 LEU A 85 1.699 -1.199 -13.067 1.00 22.32 H new ATOM 1194 N VAL A 86 -2.997 -0.674 -11.138 1.00 32.10 N ATOM 1195 CA VAL A 86 -4.371 -1.116 -10.925 1.00 42.20 C ATOM 1196 C VAL A 86 -5.307 0.077 -10.978 1.00 31.22 C ATOM 1197 O VAL A 86 -4.862 1.224 -10.892 1.00 40.05 O ATOM 1198 CB VAL A 86 -4.556 -1.848 -9.570 1.00 35.23 C ATOM 1199 CG1 VAL A 86 -3.975 -3.258 -9.631 1.00 1.22 C ATOM 1200 CG2 VAL A 86 -3.925 -1.047 -8.433 1.00 63.23 C ATOM 0 H VAL A 86 -2.801 0.256 -10.769 1.00 32.10 H new ATOM 0 HA VAL A 86 -4.607 -1.824 -11.719 1.00 42.20 H new ATOM 0 HB VAL A 86 -5.625 -1.933 -9.372 1.00 35.23 H new ATOM 0 HG11 VAL A 86 -4.116 -3.752 -8.670 1.00 1.22 H new ATOM 0 HG12 VAL A 86 -4.483 -3.827 -10.409 1.00 1.22 H new ATOM 0 HG13 VAL A 86 -2.910 -3.203 -9.858 1.00 1.22 H new ATOM 0 HG21 VAL A 86 -4.066 -1.578 -7.492 1.00 63.23 H new ATOM 0 HG22 VAL A 86 -2.859 -0.923 -8.623 1.00 63.23 H new ATOM 0 HG23 VAL A 86 -4.399 -0.067 -8.371 1.00 63.23 H new ATOM 1210 N ASP A 87 -6.599 -0.196 -11.113 1.00 1.04 N ATOM 1211 CA ASP A 87 -7.599 0.860 -11.198 1.00 60.14 C ATOM 1212 C ASP A 87 -7.742 1.558 -9.852 1.00 52.14 C ATOM 1213 O ASP A 87 -7.855 2.783 -9.782 1.00 33.35 O ATOM 1214 CB ASP A 87 -8.950 0.292 -11.645 1.00 5.32 C ATOM 1215 CG ASP A 87 -10.001 1.376 -11.829 1.00 42.42 C ATOM 1216 OD1 ASP A 87 -10.838 1.567 -10.925 1.00 62.00 O ATOM 1217 OD2 ASP A 87 -9.976 2.057 -12.879 1.00 23.31 O ATOM 0 H ASP A 87 -6.979 -1.141 -11.166 1.00 1.04 H new ATOM 0 HA ASP A 87 -7.269 1.587 -11.940 1.00 60.14 H new ATOM 0 HB2 ASP A 87 -8.822 -0.249 -12.583 1.00 5.32 H new ATOM 0 HB3 ASP A 87 -9.301 -0.429 -10.906 1.00 5.32 H new ATOM 1222 N ASP A 88 -7.724 0.764 -8.789 1.00 54.44 N ATOM 1223 CA ASP A 88 -7.819 1.277 -7.425 1.00 4.01 C ATOM 1224 C ASP A 88 -7.236 0.235 -6.468 1.00 50.41 C ATOM 1225 O ASP A 88 -6.909 -0.877 -6.893 1.00 63.31 O ATOM 1226 CB ASP A 88 -9.287 1.584 -7.069 1.00 11.51 C ATOM 1227 CG ASP A 88 -9.429 2.567 -5.913 1.00 52.53 C ATOM 1228 OD1 ASP A 88 -9.571 3.786 -6.179 1.00 11.54 O ATOM 1229 OD2 ASP A 88 -9.397 2.135 -4.745 1.00 34.31 O ATOM 0 H ASP A 88 -7.643 -0.251 -8.846 1.00 54.44 H new ATOM 0 HA ASP A 88 -7.255 2.206 -7.338 1.00 4.01 H new ATOM 0 HB2 ASP A 88 -9.790 1.989 -7.947 1.00 11.51 H new ATOM 0 HB3 ASP A 88 -9.794 0.654 -6.812 1.00 11.51 H new ATOM 1234 N ILE A 89 -7.098 0.574 -5.189 1.00 3.25 N ATOM 1235 CA ILE A 89 -6.576 -0.374 -4.202 1.00 2.35 C ATOM 1236 C ILE A 89 -7.469 -0.390 -2.970 1.00 35.32 C ATOM 1237 O ILE A 89 -8.025 0.638 -2.578 1.00 65.55 O ATOM 1238 CB ILE A 89 -5.115 -0.064 -3.758 1.00 62.42 C ATOM 1239 CG1 ILE A 89 -5.059 1.150 -2.815 1.00 42.22 C ATOM 1240 CG2 ILE A 89 -4.215 0.167 -4.971 1.00 44.03 C ATOM 1241 CD1 ILE A 89 -3.694 1.382 -2.196 1.00 71.31 C ATOM 0 H ILE A 89 -7.338 1.491 -4.811 1.00 3.25 H new ATOM 0 HA ILE A 89 -6.570 -1.348 -4.692 1.00 2.35 H new ATOM 0 HB ILE A 89 -4.749 -0.933 -3.212 1.00 62.42 H new ATOM 0 HG12 ILE A 89 -5.353 2.042 -3.368 1.00 42.22 H new ATOM 0 HG13 ILE A 89 -5.790 1.014 -2.018 1.00 42.22 H new ATOM 0 HG21 ILE A 89 -3.200 0.382 -4.636 1.00 44.03 H new ATOM 0 HG22 ILE A 89 -4.209 -0.726 -5.595 1.00 44.03 H new ATOM 0 HG23 ILE A 89 -4.592 1.011 -5.549 1.00 44.03 H new ATOM 0 HD11 ILE A 89 -3.734 2.255 -1.544 1.00 71.31 H new ATOM 0 HD12 ILE A 89 -3.405 0.507 -1.614 1.00 71.31 H new ATOM 0 HD13 ILE A 89 -2.961 1.551 -2.985 1.00 71.31 H new ATOM 1253 N ARG A 90 -7.611 -1.556 -2.360 1.00 33.44 N ATOM 1254 CA ARG A 90 -8.415 -1.686 -1.156 1.00 60.34 C ATOM 1255 C ARG A 90 -7.548 -2.207 -0.015 1.00 23.40 C ATOM 1256 O ARG A 90 -7.169 -3.379 0.001 1.00 71.43 O ATOM 1257 CB ARG A 90 -9.610 -2.624 -1.414 1.00 51.34 C ATOM 1258 CG ARG A 90 -10.912 -2.154 -0.777 1.00 4.40 C ATOM 1259 CD ARG A 90 -11.337 -0.792 -1.320 1.00 33.12 C ATOM 1260 NE ARG A 90 -12.636 -0.367 -0.799 1.00 75.33 N ATOM 1261 CZ ARG A 90 -13.235 0.782 -1.121 1.00 43.13 C ATOM 1262 NH1 ARG A 90 -12.643 1.641 -1.946 1.00 62.31 N ATOM 1263 NH2 ARG A 90 -14.430 1.069 -0.619 1.00 72.11 N ATOM 0 H ARG A 90 -7.181 -2.424 -2.678 1.00 33.44 H new ATOM 0 HA ARG A 90 -8.808 -0.709 -0.875 1.00 60.34 H new ATOM 0 HB2 ARG A 90 -9.757 -2.721 -2.490 1.00 51.34 H new ATOM 0 HB3 ARG A 90 -9.369 -3.617 -1.034 1.00 51.34 H new ATOM 0 HG2 ARG A 90 -11.697 -2.885 -0.969 1.00 4.40 H new ATOM 0 HG3 ARG A 90 -10.789 -2.094 0.304 1.00 4.40 H new ATOM 0 HD2 ARG A 90 -10.583 -0.049 -1.060 1.00 33.12 H new ATOM 0 HD3 ARG A 90 -11.381 -0.835 -2.408 1.00 33.12 H new ATOM 0 HE ARG A 90 -13.115 -0.989 -0.148 1.00 75.33 H new ATOM 0 HH11 ARG A 90 -11.726 1.424 -2.337 1.00 62.31 H new ATOM 0 HH12 ARG A 90 -13.106 2.517 -2.188 1.00 62.31 H new ATOM 0 HH21 ARG A 90 -14.889 0.412 0.012 1.00 72.11 H new ATOM 0 HH22 ARG A 90 -14.889 1.946 -0.864 1.00 72.11 H new ATOM 1277 N ILE A 91 -7.226 -1.323 0.924 1.00 30.40 N ATOM 1278 CA ILE A 91 -6.357 -1.661 2.044 1.00 14.55 C ATOM 1279 C ILE A 91 -7.172 -2.214 3.211 1.00 43.41 C ATOM 1280 O ILE A 91 -8.278 -1.749 3.481 1.00 62.33 O ATOM 1281 CB ILE A 91 -5.535 -0.426 2.507 1.00 42.41 C ATOM 1282 CG1 ILE A 91 -4.656 0.088 1.351 1.00 23.31 C ATOM 1283 CG2 ILE A 91 -4.682 -0.763 3.734 1.00 65.32 C ATOM 1284 CD1 ILE A 91 -3.799 1.287 1.711 1.00 13.42 C ATOM 0 H ILE A 91 -7.558 -0.359 0.930 1.00 30.40 H new ATOM 0 HA ILE A 91 -5.662 -2.429 1.705 1.00 14.55 H new ATOM 0 HB ILE A 91 -6.229 0.364 2.794 1.00 42.41 H new ATOM 0 HG12 ILE A 91 -4.007 -0.721 1.014 1.00 23.31 H new ATOM 0 HG13 ILE A 91 -5.298 0.353 0.511 1.00 23.31 H new ATOM 0 HG21 ILE A 91 -4.117 0.118 4.037 1.00 65.32 H new ATOM 0 HG22 ILE A 91 -5.330 -1.078 4.552 1.00 65.32 H new ATOM 0 HG23 ILE A 91 -3.992 -1.569 3.487 1.00 65.32 H new ATOM 0 HD11 ILE A 91 -3.211 1.587 0.844 1.00 13.42 H new ATOM 0 HD12 ILE A 91 -4.440 2.113 2.018 1.00 13.42 H new ATOM 0 HD13 ILE A 91 -3.130 1.023 2.530 1.00 13.42 H new ATOM 1296 N ASN A 92 -6.625 -3.226 3.877 1.00 63.14 N ATOM 1297 CA ASN A 92 -7.276 -3.848 5.028 1.00 3.42 C ATOM 1298 C ASN A 92 -6.396 -3.683 6.256 1.00 4.13 C ATOM 1299 O ASN A 92 -5.214 -4.024 6.226 1.00 43.44 O ATOM 1300 CB ASN A 92 -7.527 -5.337 4.739 1.00 5.50 C ATOM 1301 CG ASN A 92 -8.426 -6.054 5.751 1.00 71.43 C ATOM 1302 OD1 ASN A 92 -9.262 -6.873 5.361 1.00 51.32 O ATOM 1303 ND2 ASN A 92 -8.241 -5.813 7.042 1.00 5.45 N ATOM 0 H ASN A 92 -5.723 -3.637 3.637 1.00 63.14 H new ATOM 0 HA ASN A 92 -8.235 -3.364 5.215 1.00 3.42 H new ATOM 0 HB2 ASN A 92 -7.975 -5.428 3.750 1.00 5.50 H new ATOM 0 HB3 ASN A 92 -6.566 -5.851 4.702 1.00 5.50 H new ATOM 0 HD21 ASN A 92 -8.797 -6.310 7.738 1.00 5.45 H new ATOM 0 HD22 ASN A 92 -7.543 -5.131 7.339 1.00 5.45 H new ATOM 1310 N TRP A 93 -6.971 -3.157 7.330 1.00 42.10 N ATOM 1311 CA TRP A 93 -6.242 -2.976 8.582 1.00 73.45 C ATOM 1312 C TRP A 93 -6.330 -4.246 9.422 1.00 34.15 C ATOM 1313 O TRP A 93 -7.385 -4.564 9.968 1.00 61.12 O ATOM 1314 CB TRP A 93 -6.817 -1.789 9.368 1.00 4.21 C ATOM 1315 CG TRP A 93 -6.949 -0.540 8.547 1.00 65.32 C ATOM 1316 CD1 TRP A 93 -5.937 0.215 8.028 1.00 10.45 C ATOM 1317 CD2 TRP A 93 -8.169 0.101 8.157 1.00 2.51 C ATOM 1318 NE1 TRP A 93 -6.456 1.281 7.338 1.00 24.13 N ATOM 1319 CE2 TRP A 93 -7.821 1.235 7.405 1.00 41.40 C ATOM 1320 CE3 TRP A 93 -9.522 -0.177 8.372 1.00 22.21 C ATOM 1321 CZ2 TRP A 93 -8.772 2.092 6.865 1.00 23.24 C ATOM 1322 CZ3 TRP A 93 -10.467 0.676 7.835 1.00 2.50 C ATOM 1323 CH2 TRP A 93 -10.087 1.799 7.090 1.00 72.30 C ATOM 0 H TRP A 93 -7.942 -2.847 7.361 1.00 42.10 H new ATOM 0 HA TRP A 93 -5.197 -2.770 8.352 1.00 73.45 H new ATOM 0 HB2 TRP A 93 -7.796 -2.063 9.760 1.00 4.21 H new ATOM 0 HB3 TRP A 93 -6.176 -1.585 10.226 1.00 4.21 H new ATOM 0 HD1 TRP A 93 -4.884 0.004 8.143 1.00 10.45 H new ATOM 0 HE1 TRP A 93 -5.911 1.994 6.853 1.00 24.13 H new ATOM 0 HE3 TRP A 93 -9.823 -1.041 8.946 1.00 22.21 H new ATOM 0 HZ2 TRP A 93 -8.482 2.958 6.289 1.00 23.24 H new ATOM 0 HZ3 TRP A 93 -11.516 0.473 7.992 1.00 2.50 H new ATOM 0 HH2 TRP A 93 -10.850 2.447 6.685 1.00 72.30 H new ATOM 1334 N VAL A 94 -5.231 -4.986 9.497 1.00 73.33 N ATOM 1335 CA VAL A 94 -5.168 -6.186 10.327 1.00 2.10 C ATOM 1336 C VAL A 94 -4.103 -6.036 11.403 1.00 61.34 C ATOM 1337 O VAL A 94 -3.188 -5.222 11.274 1.00 21.33 O ATOM 1338 CB VAL A 94 -4.902 -7.463 9.497 1.00 73.20 C ATOM 1339 CG1 VAL A 94 -6.130 -7.818 8.665 1.00 21.33 C ATOM 1340 CG2 VAL A 94 -3.671 -7.291 8.611 1.00 75.45 C ATOM 0 H VAL A 94 -4.369 -4.777 8.993 1.00 73.33 H new ATOM 0 HA VAL A 94 -6.146 -6.297 10.796 1.00 2.10 H new ATOM 0 HB VAL A 94 -4.703 -8.286 10.184 1.00 73.20 H new ATOM 0 HG11 VAL A 94 -5.929 -8.719 8.086 1.00 21.33 H new ATOM 0 HG12 VAL A 94 -6.979 -7.994 9.326 1.00 21.33 H new ATOM 0 HG13 VAL A 94 -6.361 -6.995 7.988 1.00 21.33 H new ATOM 0 HG21 VAL A 94 -3.505 -8.203 8.037 1.00 75.45 H new ATOM 0 HG22 VAL A 94 -3.828 -6.456 7.928 1.00 75.45 H new ATOM 0 HG23 VAL A 94 -2.799 -7.091 9.234 1.00 75.45 H new ATOM 1350 N TRP A 95 -4.233 -6.831 12.458 1.00 71.01 N ATOM 1351 CA TRP A 95 -3.372 -6.723 13.636 1.00 73.01 C ATOM 1352 C TRP A 95 -3.728 -7.807 14.653 1.00 5.22 C ATOM 1353 O TRP A 95 -2.869 -8.294 15.387 1.00 54.34 O ATOM 1354 CB TRP A 95 -3.498 -5.327 14.281 1.00 12.23 C ATOM 1355 CG TRP A 95 -4.908 -4.947 14.660 1.00 10.44 C ATOM 1356 CD1 TRP A 95 -5.916 -4.584 13.810 1.00 71.23 C ATOM 1357 CD2 TRP A 95 -5.458 -4.874 15.983 1.00 31.13 C ATOM 1358 NE1 TRP A 95 -7.058 -4.309 14.520 1.00 43.35 N ATOM 1359 CE2 TRP A 95 -6.803 -4.473 15.856 1.00 15.44 C ATOM 1360 CE3 TRP A 95 -4.945 -5.111 17.261 1.00 43.31 C ATOM 1361 CZ2 TRP A 95 -7.638 -4.308 16.959 1.00 53.02 C ATOM 1362 CZ3 TRP A 95 -5.774 -4.945 18.355 1.00 53.44 C ATOM 1363 CH2 TRP A 95 -7.108 -4.547 18.198 1.00 0.11 C ATOM 0 H TRP A 95 -4.935 -7.568 12.524 1.00 71.01 H new ATOM 0 HA TRP A 95 -2.339 -6.862 13.318 1.00 73.01 H new ATOM 0 HB2 TRP A 95 -2.872 -5.293 15.173 1.00 12.23 H new ATOM 0 HB3 TRP A 95 -3.106 -4.582 13.588 1.00 12.23 H new ATOM 0 HD1 TRP A 95 -5.826 -4.523 12.735 1.00 71.23 H new ATOM 0 HE1 TRP A 95 -7.952 -4.028 14.118 1.00 43.35 H new ATOM 0 HE3 TRP A 95 -3.918 -5.419 17.392 1.00 43.31 H new ATOM 0 HZ2 TRP A 95 -8.667 -4.002 16.841 1.00 53.02 H new ATOM 0 HZ3 TRP A 95 -5.387 -5.125 19.347 1.00 53.44 H new ATOM 0 HH2 TRP A 95 -7.731 -4.426 19.072 1.00 0.11 H new ATOM 1374 N ASN A 96 -5.004 -8.180 14.682 1.00 44.24 N ATOM 1375 CA ASN A 96 -5.500 -9.206 15.600 1.00 73.53 C ATOM 1376 C ASN A 96 -6.772 -9.855 15.032 1.00 74.41 C ATOM 1377 O ASN A 96 -6.873 -11.084 14.995 1.00 61.13 O ATOM 1378 CB ASN A 96 -5.746 -8.613 17.000 1.00 63.52 C ATOM 1379 CG ASN A 96 -6.254 -9.635 18.006 1.00 53.04 C ATOM 1380 OD1 ASN A 96 -5.947 -10.826 17.921 1.00 54.21 O ATOM 1381 ND2 ASN A 96 -7.024 -9.171 18.979 1.00 52.43 N ATOM 0 H ASN A 96 -5.721 -7.784 14.075 1.00 44.24 H new ATOM 0 HA ASN A 96 -4.742 -9.982 15.703 1.00 73.53 H new ATOM 0 HB2 ASN A 96 -4.818 -8.179 17.371 1.00 63.52 H new ATOM 0 HB3 ASN A 96 -6.469 -7.801 16.921 1.00 63.52 H new ATOM 0 HD21 ASN A 96 -7.384 -9.806 19.691 1.00 52.43 H new ATOM 0 HD22 ASN A 96 -7.256 -8.179 19.016 1.00 52.43 H new ATOM 1388 N PRO A 97 -7.773 -9.053 14.584 1.00 55.21 N ATOM 1389 CA PRO A 97 -8.914 -9.580 13.830 1.00 34.34 C ATOM 1390 C PRO A 97 -8.514 -9.878 12.380 1.00 41.51 C ATOM 1391 O PRO A 97 -7.640 -9.204 11.829 1.00 31.42 O ATOM 1392 CB PRO A 97 -9.963 -8.445 13.888 1.00 33.41 C ATOM 1393 CG PRO A 97 -9.402 -7.426 14.830 1.00 21.42 C ATOM 1394 CD PRO A 97 -7.913 -7.604 14.790 1.00 14.30 C ATOM 0 HA PRO A 97 -9.290 -10.517 14.240 1.00 34.34 H new ATOM 0 HB2 PRO A 97 -10.131 -8.015 12.900 1.00 33.41 H new ATOM 0 HB3 PRO A 97 -10.925 -8.818 14.241 1.00 33.41 H new ATOM 0 HG2 PRO A 97 -9.683 -6.417 14.527 1.00 21.42 H new ATOM 0 HG3 PRO A 97 -9.786 -7.574 15.839 1.00 21.42 H new ATOM 0 HD2 PRO A 97 -7.457 -7.033 13.981 1.00 14.30 H new ATOM 0 HD3 PRO A 97 -7.440 -7.278 15.716 1.00 14.30 H new ATOM 1402 N PRO A 98 -9.124 -10.905 11.756 1.00 50.02 N ATOM 1403 CA PRO A 98 -8.839 -11.271 10.361 1.00 61.34 C ATOM 1404 C PRO A 98 -9.358 -10.227 9.364 1.00 63.23 C ATOM 1405 O PRO A 98 -9.689 -9.099 9.737 1.00 72.21 O ATOM 1406 CB PRO A 98 -9.567 -12.620 10.177 1.00 51.21 C ATOM 1407 CG PRO A 98 -9.940 -13.063 11.555 1.00 71.43 C ATOM 1408 CD PRO A 98 -10.120 -11.805 12.354 1.00 75.14 C ATOM 0 HA PRO A 98 -7.768 -11.331 10.169 1.00 61.34 H new ATOM 0 HB2 PRO A 98 -10.450 -12.507 9.548 1.00 51.21 H new ATOM 0 HB3 PRO A 98 -8.921 -13.351 9.691 1.00 51.21 H new ATOM 0 HG2 PRO A 98 -10.857 -13.652 11.542 1.00 71.43 H new ATOM 0 HG3 PRO A 98 -9.162 -13.693 11.987 1.00 71.43 H new ATOM 0 HD2 PRO A 98 -11.131 -11.408 12.265 1.00 75.14 H new ATOM 0 HD3 PRO A 98 -9.934 -11.968 13.416 1.00 75.14 H new ATOM 1416 N TRP A 99 -9.443 -10.619 8.098 1.00 25.23 N ATOM 1417 CA TRP A 99 -9.809 -9.705 7.020 1.00 0.44 C ATOM 1418 C TRP A 99 -11.323 -9.684 6.812 1.00 50.30 C ATOM 1419 O TRP A 99 -11.938 -10.729 6.595 1.00 35.24 O ATOM 1420 CB TRP A 99 -9.094 -10.129 5.732 1.00 41.25 C ATOM 1421 CG TRP A 99 -7.611 -10.267 5.921 1.00 1.31 C ATOM 1422 CD1 TRP A 99 -6.681 -9.278 5.822 1.00 62.45 C ATOM 1423 CD2 TRP A 99 -6.892 -11.460 6.266 1.00 54.41 C ATOM 1424 NE1 TRP A 99 -5.430 -9.777 6.085 1.00 32.42 N ATOM 1425 CE2 TRP A 99 -5.531 -11.114 6.356 1.00 12.13 C ATOM 1426 CE3 TRP A 99 -7.267 -12.784 6.509 1.00 55.34 C ATOM 1427 CZ2 TRP A 99 -4.545 -12.043 6.675 1.00 51.13 C ATOM 1428 CZ3 TRP A 99 -6.286 -13.707 6.825 1.00 12.42 C ATOM 1429 CH2 TRP A 99 -4.939 -13.331 6.907 1.00 51.30 C ATOM 0 H TRP A 99 -9.261 -11.574 7.790 1.00 25.23 H new ATOM 0 HA TRP A 99 -9.498 -8.696 7.290 1.00 0.44 H new ATOM 0 HB2 TRP A 99 -9.504 -11.079 5.388 1.00 41.25 H new ATOM 0 HB3 TRP A 99 -9.291 -9.395 4.951 1.00 41.25 H new ATOM 0 HD1 TRP A 99 -6.896 -8.250 5.573 1.00 62.45 H new ATOM 0 HE1 TRP A 99 -4.564 -9.238 6.079 1.00 32.42 H new ATOM 0 HE3 TRP A 99 -8.304 -13.081 6.451 1.00 55.34 H new ATOM 0 HZ2 TRP A 99 -3.506 -11.756 6.737 1.00 51.13 H new ATOM 0 HZ3 TRP A 99 -6.563 -14.734 7.011 1.00 12.42 H new ATOM 0 HH2 TRP A 99 -4.197 -14.074 7.159 1.00 51.30 H new ATOM 1440 N GLY A 100 -11.916 -8.496 6.883 1.00 1.00 N ATOM 1441 CA GLY A 100 -13.353 -8.360 6.706 1.00 53.04 C ATOM 1442 C GLY A 100 -13.761 -6.929 6.398 1.00 61.33 C ATOM 1443 O GLY A 100 -13.386 -6.392 5.352 1.00 32.32 O ATOM 0 H GLY A 100 -11.425 -7.620 7.061 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -13.681 -9.012 5.896 1.00 53.04 H new ATOM 0 HA3 GLY A 100 -13.862 -8.694 7.610 1.00 53.04 H new ATOM 1447 N PRO A 101 -14.500 -6.263 7.313 1.00 2.53 N ATOM 1448 CA PRO A 101 -14.994 -4.893 7.093 1.00 12.45 C ATOM 1449 C PRO A 101 -13.848 -3.887 7.028 1.00 10.25 C ATOM 1450 O PRO A 101 -14.000 -2.779 6.518 1.00 65.11 O ATOM 1451 CB PRO A 101 -15.885 -4.632 8.318 1.00 13.25 C ATOM 1452 CG PRO A 101 -15.354 -5.543 9.372 1.00 30.41 C ATOM 1453 CD PRO A 101 -14.888 -6.778 8.645 1.00 12.34 C ATOM 0 HA PRO A 101 -15.524 -4.787 6.147 1.00 12.45 H new ATOM 0 HB2 PRO A 101 -15.832 -3.590 8.632 1.00 13.25 H new ATOM 0 HB3 PRO A 101 -16.931 -4.846 8.100 1.00 13.25 H new ATOM 0 HG2 PRO A 101 -14.533 -5.076 9.916 1.00 30.41 H new ATOM 0 HG3 PRO A 101 -16.124 -5.786 10.104 1.00 30.41 H new ATOM 0 HD2 PRO A 101 -14.048 -7.251 9.154 1.00 12.34 H new ATOM 0 HD3 PRO A 101 -15.679 -7.525 8.573 1.00 12.34 H new ATOM 1461 N ASP A 102 -12.695 -4.307 7.531 1.00 33.45 N ATOM 1462 CA ASP A 102 -11.492 -3.477 7.555 1.00 64.41 C ATOM 1463 C ASP A 102 -10.967 -3.213 6.139 1.00 70.20 C ATOM 1464 O ASP A 102 -9.989 -2.491 5.963 1.00 2.24 O ATOM 1465 CB ASP A 102 -10.408 -4.147 8.408 1.00 25.22 C ATOM 1466 CG ASP A 102 -10.904 -4.495 9.804 1.00 65.22 C ATOM 1467 OD1 ASP A 102 -11.451 -5.606 9.982 1.00 0.15 O ATOM 1468 OD2 ASP A 102 -10.766 -3.660 10.723 1.00 11.15 O ATOM 0 H ASP A 102 -12.564 -5.234 7.935 1.00 33.45 H new ATOM 0 HA ASP A 102 -11.753 -2.516 7.998 1.00 64.41 H new ATOM 0 HB2 ASP A 102 -10.066 -5.054 7.910 1.00 25.22 H new ATOM 0 HB3 ASP A 102 -9.548 -3.482 8.486 1.00 25.22 H new ATOM 1473 N LYS A 103 -11.610 -3.824 5.138 1.00 71.51 N ATOM 1474 CA LYS A 103 -11.274 -3.579 3.730 1.00 23.32 C ATOM 1475 C LYS A 103 -11.843 -2.232 3.274 1.00 24.20 C ATOM 1476 O LYS A 103 -11.412 -1.677 2.260 1.00 70.54 O ATOM 1477 CB LYS A 103 -11.842 -4.700 2.833 1.00 35.51 C ATOM 1478 CG LYS A 103 -11.001 -5.978 2.783 1.00 63.32 C ATOM 1479 CD LYS A 103 -9.722 -5.788 1.963 1.00 0.40 C ATOM 1480 CE LYS A 103 -9.025 -7.118 1.671 1.00 11.52 C ATOM 1481 NZ LYS A 103 -8.523 -7.788 2.901 1.00 2.12 N ATOM 0 H LYS A 103 -12.367 -4.493 5.277 1.00 71.51 H new ATOM 0 HA LYS A 103 -10.188 -3.564 3.640 1.00 23.32 H new ATOM 0 HB2 LYS A 103 -12.842 -4.955 3.185 1.00 35.51 H new ATOM 0 HB3 LYS A 103 -11.950 -4.314 1.819 1.00 35.51 H new ATOM 0 HG2 LYS A 103 -10.740 -6.281 3.797 1.00 63.32 H new ATOM 0 HG3 LYS A 103 -11.593 -6.785 2.351 1.00 63.32 H new ATOM 0 HD2 LYS A 103 -9.964 -5.292 1.023 1.00 0.40 H new ATOM 0 HD3 LYS A 103 -9.039 -5.132 2.503 1.00 0.40 H new ATOM 0 HE2 LYS A 103 -9.721 -7.783 1.159 1.00 11.52 H new ATOM 0 HE3 LYS A 103 -8.191 -6.944 0.991 1.00 11.52 H new ATOM 0 HZ1 LYS A 103 -8.722 -8.807 2.847 1.00 2.12 H new ATOM 0 HZ2 LYS A 103 -7.497 -7.639 2.983 1.00 2.12 H new ATOM 0 HZ3 LYS A 103 -8.999 -7.386 3.734 1.00 2.12 H new ATOM 1495 N ILE A 104 -12.814 -1.716 4.022 1.00 44.23 N ATOM 1496 CA ILE A 104 -13.431 -0.435 3.701 1.00 54.15 C ATOM 1497 C ILE A 104 -12.489 0.703 4.087 1.00 43.24 C ATOM 1498 O ILE A 104 -12.395 1.072 5.257 1.00 13.55 O ATOM 1499 CB ILE A 104 -14.795 -0.263 4.420 1.00 24.24 C ATOM 1500 CG1 ILE A 104 -15.742 -1.422 4.051 1.00 3.20 C ATOM 1501 CG2 ILE A 104 -15.429 1.086 4.071 1.00 72.30 C ATOM 1502 CD1 ILE A 104 -17.079 -1.377 4.766 1.00 21.52 C ATOM 0 H ILE A 104 -13.190 -2.167 4.856 1.00 44.23 H new ATOM 0 HA ILE A 104 -13.616 -0.409 2.627 1.00 54.15 H new ATOM 0 HB ILE A 104 -14.622 -0.284 5.496 1.00 24.24 H new ATOM 0 HG12 ILE A 104 -15.916 -1.407 2.975 1.00 3.20 H new ATOM 0 HG13 ILE A 104 -15.250 -2.367 4.281 1.00 3.20 H new ATOM 0 HG21 ILE A 104 -16.384 1.183 4.587 1.00 72.30 H new ATOM 0 HG22 ILE A 104 -14.764 1.892 4.383 1.00 72.30 H new ATOM 0 HG23 ILE A 104 -15.590 1.145 2.995 1.00 72.30 H new ATOM 0 HD11 ILE A 104 -17.688 -2.225 4.453 1.00 21.52 H new ATOM 0 HD12 ILE A 104 -16.917 -1.424 5.843 1.00 21.52 H new ATOM 0 HD13 ILE A 104 -17.594 -0.449 4.517 1.00 21.52 H new ATOM 1514 N THR A 105 -11.785 1.232 3.092 1.00 72.31 N ATOM 1515 CA THR A 105 -10.772 2.260 3.296 1.00 74.21 C ATOM 1516 C THR A 105 -11.353 3.526 3.940 1.00 30.23 C ATOM 1517 O THR A 105 -12.550 3.820 3.802 1.00 10.31 O ATOM 1518 CB THR A 105 -10.110 2.630 1.948 1.00 41.31 C ATOM 1519 OG1 THR A 105 -11.117 2.999 0.988 1.00 24.41 O ATOM 1520 CG2 THR A 105 -9.285 1.466 1.403 1.00 23.35 C ATOM 0 H THR A 105 -11.902 0.958 2.117 1.00 72.31 H new ATOM 0 HA THR A 105 -10.029 1.847 3.978 1.00 74.21 H new ATOM 0 HB THR A 105 -9.444 3.475 2.121 1.00 41.31 H new ATOM 0 HG1 THR A 105 -10.689 3.233 0.138 1.00 24.41 H new ATOM 0 HG21 THR A 105 -8.831 1.754 0.455 1.00 23.35 H new ATOM 0 HG22 THR A 105 -8.502 1.209 2.117 1.00 23.35 H new ATOM 0 HG23 THR A 105 -9.932 0.603 1.248 1.00 23.35 H new ATOM 1528 N GLU A 106 -10.504 4.276 4.640 1.00 33.52 N ATOM 1529 CA GLU A 106 -10.915 5.541 5.235 1.00 31.30 C ATOM 1530 C GLU A 106 -11.126 6.567 4.125 1.00 52.44 C ATOM 1531 O GLU A 106 -11.927 7.498 4.259 1.00 71.21 O ATOM 1532 CB GLU A 106 -9.875 6.022 6.260 1.00 33.33 C ATOM 1533 CG GLU A 106 -10.245 7.334 6.944 1.00 75.33 C ATOM 1534 CD GLU A 106 -9.452 7.592 8.219 1.00 72.12 C ATOM 1535 OE1 GLU A 106 -9.863 7.089 9.288 1.00 32.42 O ATOM 1536 OE2 GLU A 106 -8.438 8.311 8.169 1.00 11.34 O ATOM 0 H GLU A 106 -9.529 4.028 4.808 1.00 33.52 H new ATOM 0 HA GLU A 106 -11.854 5.407 5.772 1.00 31.30 H new ATOM 0 HB2 GLU A 106 -9.744 5.251 7.020 1.00 33.33 H new ATOM 0 HB3 GLU A 106 -8.914 6.142 5.759 1.00 33.33 H new ATOM 0 HG2 GLU A 106 -10.080 8.157 6.249 1.00 75.33 H new ATOM 0 HG3 GLU A 106 -11.309 7.325 7.181 1.00 75.33 H new ATOM 1543 N ASP A 107 -10.416 6.364 3.015 1.00 35.12 N ATOM 1544 CA ASP A 107 -10.626 7.146 1.797 1.00 15.05 C ATOM 1545 C ASP A 107 -12.081 7.029 1.344 1.00 23.42 C ATOM 1546 O ASP A 107 -12.690 8.005 0.909 1.00 22.12 O ATOM 1547 CB ASP A 107 -9.689 6.649 0.680 1.00 33.15 C ATOM 1548 CG ASP A 107 -9.970 7.294 -0.675 1.00 22.11 C ATOM 1549 OD1 ASP A 107 -10.756 6.727 -1.466 1.00 32.12 O ATOM 1550 OD2 ASP A 107 -9.393 8.365 -0.968 1.00 61.22 O ATOM 0 H ASP A 107 -9.684 5.658 2.935 1.00 35.12 H new ATOM 0 HA ASP A 107 -10.402 8.192 2.008 1.00 15.05 H new ATOM 0 HB2 ASP A 107 -8.656 6.852 0.964 1.00 33.15 H new ATOM 0 HB3 ASP A 107 -9.787 5.567 0.587 1.00 33.15 H new ATOM 1555 N GLY A 108 -12.634 5.823 1.471 1.00 3.33 N ATOM 1556 CA GLY A 108 -14.002 5.568 1.048 1.00 72.03 C ATOM 1557 C GLY A 108 -15.032 6.189 1.976 1.00 4.12 C ATOM 1558 O GLY A 108 -16.037 6.733 1.520 1.00 2.24 O ATOM 0 H GLY A 108 -12.154 5.013 1.863 1.00 3.33 H new ATOM 0 HA2 GLY A 108 -14.145 5.959 0.041 1.00 72.03 H new ATOM 0 HA3 GLY A 108 -14.167 4.492 0.998 1.00 72.03 H new ATOM 1562 N ARG A 109 -14.771 6.120 3.279 1.00 52.34 N ATOM 1563 CA ARG A 109 -15.717 6.608 4.288 1.00 45.22 C ATOM 1564 C ARG A 109 -15.997 8.104 4.112 1.00 73.55 C ATOM 1565 O ARG A 109 -17.106 8.575 4.365 1.00 43.34 O ATOM 1566 CB ARG A 109 -15.176 6.350 5.703 1.00 1.34 C ATOM 1567 CG ARG A 109 -16.151 6.745 6.813 1.00 1.11 C ATOM 1568 CD ARG A 109 -15.497 6.692 8.189 1.00 54.23 C ATOM 1569 NE ARG A 109 -14.417 7.675 8.318 1.00 52.24 N ATOM 1570 CZ ARG A 109 -13.257 7.444 8.934 1.00 3.32 C ATOM 1571 NH1 ARG A 109 -13.006 6.256 9.474 1.00 63.53 N ATOM 1572 NH2 ARG A 109 -12.348 8.400 9.003 1.00 31.41 N ATOM 0 H ARG A 109 -13.911 5.730 3.665 1.00 52.34 H new ATOM 0 HA ARG A 109 -16.651 6.062 4.153 1.00 45.22 H new ATOM 0 HB2 ARG A 109 -14.934 5.292 5.803 1.00 1.34 H new ATOM 0 HB3 ARG A 109 -14.246 6.903 5.834 1.00 1.34 H new ATOM 0 HG2 ARG A 109 -16.524 7.752 6.627 1.00 1.11 H new ATOM 0 HG3 ARG A 109 -17.012 6.077 6.794 1.00 1.11 H new ATOM 0 HD2 ARG A 109 -16.249 6.876 8.956 1.00 54.23 H new ATOM 0 HD3 ARG A 109 -15.101 5.692 8.365 1.00 54.23 H new ATOM 0 HE ARG A 109 -14.563 8.598 7.909 1.00 52.24 H new ATOM 0 HH11 ARG A 109 -13.703 5.513 9.419 1.00 63.53 H new ATOM 0 HH12 ARG A 109 -12.116 6.087 9.944 1.00 63.53 H new ATOM 0 HH21 ARG A 109 -12.534 9.312 8.586 1.00 31.41 H new ATOM 0 HH22 ARG A 109 -11.460 8.226 9.474 1.00 31.41 H new ATOM 1586 N GLU A 110 -14.984 8.842 3.675 1.00 11.13 N ATOM 1587 CA GLU A 110 -15.086 10.294 3.547 1.00 2.01 C ATOM 1588 C GLU A 110 -15.908 10.687 2.320 1.00 72.32 C ATOM 1589 O GLU A 110 -16.343 11.833 2.188 1.00 52.22 O ATOM 1590 CB GLU A 110 -13.682 10.909 3.463 1.00 4.14 C ATOM 1591 CG GLU A 110 -13.660 12.423 3.649 1.00 12.43 C ATOM 1592 CD GLU A 110 -14.209 12.846 5.004 1.00 2.00 C ATOM 1593 OE1 GLU A 110 -15.227 13.570 5.046 1.00 74.14 O ATOM 1594 OE2 GLU A 110 -13.628 12.438 6.035 1.00 35.02 O ATOM 0 H GLU A 110 -14.079 8.459 3.402 1.00 11.13 H new ATOM 0 HA GLU A 110 -15.598 10.679 4.429 1.00 2.01 H new ATOM 0 HB2 GLU A 110 -13.049 10.450 4.222 1.00 4.14 H new ATOM 0 HB3 GLU A 110 -13.246 10.665 2.494 1.00 4.14 H new ATOM 0 HG2 GLU A 110 -12.637 12.785 3.545 1.00 12.43 H new ATOM 0 HG3 GLU A 110 -14.246 12.893 2.859 1.00 12.43 H new ATOM 1601 N GLN A 111 -16.141 9.730 1.434 1.00 22.04 N ATOM 1602 CA GLN A 111 -16.779 10.017 0.159 1.00 1.31 C ATOM 1603 C GLN A 111 -18.166 9.391 0.094 1.00 65.21 C ATOM 1604 O GLN A 111 -18.365 8.338 -0.516 1.00 45.43 O ATOM 1605 CB GLN A 111 -15.887 9.525 -0.983 1.00 33.43 C ATOM 1606 CG GLN A 111 -14.427 9.916 -0.789 1.00 40.01 C ATOM 1607 CD GLN A 111 -13.542 9.553 -1.966 1.00 34.32 C ATOM 1608 OE1 GLN A 111 -13.975 9.559 -3.120 1.00 22.43 O ATOM 1609 NE2 GLN A 111 -12.297 9.216 -1.679 1.00 60.24 N ATOM 0 H GLN A 111 -15.898 8.749 1.575 1.00 22.04 H new ATOM 0 HA GLN A 111 -16.908 11.095 0.057 1.00 1.31 H new ATOM 0 HB2 GLN A 111 -15.963 8.440 -1.058 1.00 33.43 H new ATOM 0 HB3 GLN A 111 -16.248 9.936 -1.926 1.00 33.43 H new ATOM 0 HG2 GLN A 111 -14.367 10.991 -0.617 1.00 40.01 H new ATOM 0 HG3 GLN A 111 -14.044 9.428 0.107 1.00 40.01 H new ATOM 0 HE21 GLN A 111 -11.977 9.224 -0.711 1.00 60.24 H new ATOM 0 HE22 GLN A 111 -11.656 8.948 -2.426 1.00 60.24 H new ATOM 1618 N LEU A 112 -19.113 10.037 0.765 1.00 64.25 N ATOM 1619 CA LEU A 112 -20.505 9.593 0.781 1.00 22.04 C ATOM 1620 C LEU A 112 -21.376 10.589 0.014 1.00 72.23 C ATOM 1621 O LEU A 112 -20.860 11.528 -0.600 1.00 33.04 O ATOM 1622 CB LEU A 112 -20.997 9.447 2.230 1.00 21.20 C ATOM 1623 CG LEU A 112 -20.180 8.484 3.111 1.00 71.53 C ATOM 1624 CD1 LEU A 112 -20.740 8.439 4.531 1.00 50.51 C ATOM 1625 CD2 LEU A 112 -20.145 7.084 2.499 1.00 34.14 C ATOM 0 H LEU A 112 -18.940 10.880 1.312 1.00 64.25 H new ATOM 0 HA LEU A 112 -20.576 8.620 0.295 1.00 22.04 H new ATOM 0 HB2 LEU A 112 -20.994 10.432 2.698 1.00 21.20 H new ATOM 0 HB3 LEU A 112 -22.032 9.106 2.212 1.00 21.20 H new ATOM 0 HG LEU A 112 -19.158 8.858 3.161 1.00 71.53 H new ATOM 0 HD11 LEU A 112 -20.147 7.752 5.135 1.00 50.51 H new ATOM 0 HD12 LEU A 112 -20.699 9.436 4.970 1.00 50.51 H new ATOM 0 HD13 LEU A 112 -21.775 8.097 4.503 1.00 50.51 H new ATOM 0 HD21 LEU A 112 -19.562 6.422 3.139 1.00 34.14 H new ATOM 0 HD22 LEU A 112 -21.161 6.701 2.410 1.00 34.14 H new ATOM 0 HD23 LEU A 112 -19.686 7.130 1.511 1.00 34.14 H new ATOM 1637 N ARG A 113 -22.691 10.395 0.068 1.00 71.01 N ATOM 1638 CA ARG A 113 -23.633 11.228 -0.682 1.00 4.32 C ATOM 1639 C ARG A 113 -23.534 12.698 -0.256 1.00 71.01 C ATOM 1640 O ARG A 113 -23.649 13.606 -1.082 1.00 52.43 O ATOM 1641 CB ARG A 113 -25.066 10.706 -0.485 1.00 50.44 C ATOM 1642 CG ARG A 113 -26.122 11.460 -1.293 1.00 32.11 C ATOM 1643 CD ARG A 113 -27.503 10.826 -1.150 1.00 31.13 C ATOM 1644 NE ARG A 113 -27.974 10.824 0.240 1.00 43.23 N ATOM 1645 CZ ARG A 113 -29.065 10.180 0.664 1.00 12.24 C ATOM 1646 NH1 ARG A 113 -29.804 9.471 -0.181 1.00 23.03 N ATOM 1647 NH2 ARG A 113 -29.416 10.248 1.938 1.00 44.00 N ATOM 0 H ARG A 113 -23.133 9.664 0.626 1.00 71.01 H new ATOM 0 HA ARG A 113 -23.375 11.170 -1.739 1.00 4.32 H new ATOM 0 HB2 ARG A 113 -25.098 9.652 -0.760 1.00 50.44 H new ATOM 0 HB3 ARG A 113 -25.321 10.767 0.573 1.00 50.44 H new ATOM 0 HG2 ARG A 113 -26.162 12.497 -0.961 1.00 32.11 H new ATOM 0 HG3 ARG A 113 -25.835 11.473 -2.344 1.00 32.11 H new ATOM 0 HD2 ARG A 113 -28.215 11.368 -1.772 1.00 31.13 H new ATOM 0 HD3 ARG A 113 -27.470 9.802 -1.522 1.00 31.13 H new ATOM 0 HE ARG A 113 -27.433 11.349 0.927 1.00 43.23 H new ATOM 0 HH11 ARG A 113 -29.541 9.414 -1.165 1.00 23.03 H new ATOM 0 HH12 ARG A 113 -30.635 8.983 0.154 1.00 23.03 H new ATOM 0 HH21 ARG A 113 -28.854 10.791 2.594 1.00 44.00 H new ATOM 0 HH22 ARG A 113 -30.248 9.757 2.265 1.00 44.00 H new ATOM 1661 N ALA A 114 -23.293 12.921 1.032 1.00 61.34 N ATOM 1662 CA ALA A 114 -23.213 14.271 1.590 1.00 14.14 C ATOM 1663 C ALA A 114 -22.033 15.053 1.006 1.00 22.44 C ATOM 1664 O ALA A 114 -21.979 16.281 1.105 1.00 73.14 O ATOM 1665 CB ALA A 114 -23.108 14.207 3.111 1.00 14.15 C ATOM 0 H ALA A 114 -23.148 12.178 1.716 1.00 61.34 H new ATOM 0 HA ALA A 114 -24.127 14.800 1.318 1.00 14.14 H new ATOM 0 HB1 ALA A 114 -23.049 15.218 3.514 1.00 14.15 H new ATOM 0 HB2 ALA A 114 -23.987 13.705 3.516 1.00 14.15 H new ATOM 0 HB3 ALA A 114 -22.213 13.652 3.391 1.00 14.15 H new ATOM 1671 N LEU A 115 -21.091 14.338 0.389 1.00 54.14 N ATOM 1672 CA LEU A 115 -19.913 14.967 -0.208 1.00 42.14 C ATOM 1673 C LEU A 115 -20.289 15.696 -1.502 1.00 64.54 C ATOM 1674 O LEU A 115 -19.512 16.496 -2.025 1.00 41.14 O ATOM 1675 CB LEU A 115 -18.822 13.915 -0.481 1.00 40.35 C ATOM 1676 CG LEU A 115 -17.491 14.463 -1.031 1.00 61.44 C ATOM 1677 CD1 LEU A 115 -16.842 15.425 -0.036 1.00 51.03 C ATOM 1678 CD2 LEU A 115 -16.542 13.319 -1.374 1.00 53.44 C ATOM 0 H LEU A 115 -21.121 13.323 0.290 1.00 54.14 H new ATOM 0 HA LEU A 115 -19.520 15.699 0.497 1.00 42.14 H new ATOM 0 HB2 LEU A 115 -18.618 13.380 0.447 1.00 40.35 H new ATOM 0 HB3 LEU A 115 -19.215 13.186 -1.190 1.00 40.35 H new ATOM 0 HG LEU A 115 -17.704 15.018 -1.944 1.00 61.44 H new ATOM 0 HD11 LEU A 115 -15.904 15.797 -0.449 1.00 51.03 H new ATOM 0 HD12 LEU A 115 -17.514 16.263 0.151 1.00 51.03 H new ATOM 0 HD13 LEU A 115 -16.644 14.902 0.900 1.00 51.03 H new ATOM 0 HD21 LEU A 115 -15.607 13.725 -1.761 1.00 53.44 H new ATOM 0 HD22 LEU A 115 -16.339 12.733 -0.477 1.00 53.44 H new ATOM 0 HD23 LEU A 115 -17.000 12.680 -2.129 1.00 53.44 H new ATOM 1690 N GLY A 116 -21.492 15.426 -2.004 1.00 23.41 N ATOM 1691 CA GLY A 116 -21.963 16.071 -3.220 1.00 11.13 C ATOM 1692 C GLY A 116 -22.374 17.516 -2.994 1.00 42.41 C ATOM 1693 O GLY A 116 -22.714 18.230 -3.940 1.00 21.05 O ATOM 0 H GLY A 116 -22.152 14.769 -1.588 1.00 23.41 H new ATOM 0 HA2 GLY A 116 -21.177 16.035 -3.974 1.00 11.13 H new ATOM 0 HA3 GLY A 116 -22.811 15.514 -3.617 1.00 11.13 H new ATOM 1697 N PHE A 117 -22.342 17.949 -1.736 1.00 12.41 N ATOM 1698 CA PHE A 117 -22.731 19.309 -1.367 1.00 50.51 C ATOM 1699 C PHE A 117 -21.502 20.146 -1.003 1.00 75.11 C ATOM 1700 O PHE A 117 -21.528 20.937 -0.057 1.00 13.14 O ATOM 1701 CB PHE A 117 -23.721 19.267 -0.194 1.00 62.21 C ATOM 1702 CG PHE A 117 -25.020 18.574 -0.531 1.00 42.31 C ATOM 1703 CD1 PHE A 117 -25.205 17.226 -0.249 1.00 61.55 C ATOM 1704 CD2 PHE A 117 -26.055 19.273 -1.140 1.00 33.34 C ATOM 1705 CE1 PHE A 117 -26.391 16.592 -0.569 1.00 34.11 C ATOM 1706 CE2 PHE A 117 -27.242 18.642 -1.459 1.00 71.03 C ATOM 1707 CZ PHE A 117 -27.411 17.301 -1.173 1.00 64.10 C ATOM 0 H PHE A 117 -22.048 17.372 -0.948 1.00 12.41 H new ATOM 0 HA PHE A 117 -23.216 19.778 -2.223 1.00 50.51 H new ATOM 0 HB2 PHE A 117 -23.254 18.757 0.648 1.00 62.21 H new ATOM 0 HB3 PHE A 117 -23.934 20.286 0.129 1.00 62.21 H new ATOM 0 HD1 PHE A 117 -24.413 16.667 0.226 1.00 61.55 H new ATOM 0 HD2 PHE A 117 -25.930 20.322 -1.367 1.00 33.34 H new ATOM 0 HE1 PHE A 117 -26.520 15.543 -0.347 1.00 34.11 H new ATOM 0 HE2 PHE A 117 -28.038 19.197 -1.932 1.00 71.03 H new ATOM 0 HZ PHE A 117 -28.339 16.808 -1.421 1.00 64.10 H new ATOM 1717 N THR A 118 -20.426 19.967 -1.765 1.00 51.11 N ATOM 1718 CA THR A 118 -19.197 20.730 -1.563 1.00 63.14 C ATOM 1719 C THR A 118 -19.353 22.160 -2.089 1.00 53.13 C ATOM 1720 O THR A 118 -19.939 22.381 -3.156 1.00 12.41 O ATOM 1721 CB THR A 118 -18.001 20.039 -2.260 1.00 34.43 C ATOM 1722 OG1 THR A 118 -18.402 19.552 -3.552 1.00 64.44 O ATOM 1723 CG2 THR A 118 -17.466 18.882 -1.419 1.00 73.31 C ATOM 0 H THR A 118 -20.381 19.296 -2.532 1.00 51.11 H new ATOM 0 HA THR A 118 -19.001 20.771 -0.491 1.00 63.14 H new ATOM 0 HB THR A 118 -17.206 20.775 -2.376 1.00 34.43 H new ATOM 0 HG1 THR A 118 -17.640 19.117 -3.989 1.00 64.44 H new ATOM 0 HG21 THR A 118 -16.626 18.416 -1.934 1.00 73.31 H new ATOM 0 HG22 THR A 118 -17.134 19.258 -0.451 1.00 73.31 H new ATOM 0 HG23 THR A 118 -18.255 18.145 -1.270 1.00 73.31 H new ATOM 1731 N VAL A 119 -18.838 23.125 -1.335 1.00 11.23 N ATOM 1732 CA VAL A 119 -18.943 24.536 -1.696 1.00 22.23 C ATOM 1733 C VAL A 119 -17.578 25.068 -2.134 1.00 30.11 C ATOM 1734 O VAL A 119 -16.754 25.406 -1.258 1.00 2.30 O ATOM 1735 CB VAL A 119 -19.495 25.386 -0.520 1.00 10.51 C ATOM 1736 CG1 VAL A 119 -19.620 26.860 -0.912 1.00 15.21 C ATOM 1737 CG2 VAL A 119 -20.839 24.835 -0.051 1.00 61.34 C ATOM 1738 OXT VAL A 119 -17.330 25.127 -3.358 1.00 0.00 O ATOM 0 H VAL A 119 -18.339 22.954 -0.462 1.00 11.23 H new ATOM 0 HA VAL A 119 -19.646 24.618 -2.525 1.00 22.23 H new ATOM 0 HB VAL A 119 -18.786 25.322 0.306 1.00 10.51 H new ATOM 0 HG11 VAL A 119 -20.009 27.429 -0.068 1.00 15.21 H new ATOM 0 HG12 VAL A 119 -18.640 27.247 -1.190 1.00 15.21 H new ATOM 0 HG13 VAL A 119 -20.301 26.955 -1.758 1.00 15.21 H new ATOM 0 HG21 VAL A 119 -21.213 25.442 0.774 1.00 61.34 H new ATOM 0 HG22 VAL A 119 -21.552 24.864 -0.875 1.00 61.34 H new ATOM 0 HG23 VAL A 119 -20.713 23.805 0.284 1.00 61.34 H new TER 1748 VAL A 119