USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 122 SER OG : rot 180:sc= -0.0564 USER MOD Set 1.2: A 123 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 105 GLN : amide:sc= -2.91! K(o=-6.4!,f=-1.2) USER MOD Set 2.2: A 107 GLN : amide:sc= -3.53! K(o=-6.4!,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 16 SER OG : rot -140:sc= -5.42! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 67:sc= 0.339 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= 0.472 (180deg=0.25) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.78) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.76) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 23:sc= 0.6 USER MOD Single : A 52 SER OG : rot 70:sc= 0.337 USER MOD Single : A 53 SER OG : rot 40:sc= 0.471 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0841 USER MOD Single : A 69 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 76 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.59) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -169:sc= -1.03 (180deg=-1.29) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 0:sc= -0.775 USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.238) USER MOD Single : A 97 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.7!) USER MOD Single : A 99 LYS NZ :NH3+ -112:sc= -0.395 (180deg=-2.22!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-2!) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0255) USER MOD Single : A 112 SER OG : rot -47:sc= 0.202 USER MOD Single : A 114 TYR OH : rot 0:sc= -0.395 USER MOD Single : A 117 LYS NZ :NH3+ 167:sc=-0.00746 (180deg=-0.143) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.788 7.507 15.442 1.00 0.00 N ATOM 2 CA GLY A 1 -3.797 8.547 15.232 1.00 0.00 C ATOM 3 C GLY A 1 -4.405 9.827 14.694 1.00 0.00 C ATOM 4 O GLY A 1 -5.223 9.795 13.774 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.322 6.653 15.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.498 7.837 16.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.255 7.285 14.540 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.290 8.757 16.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.039 8.187 14.536 1.00 0.00 H new ATOM 8 N SER A 2 -4.007 10.957 15.269 1.00 0.00 N ATOM 9 CA SER A 2 -4.523 12.253 14.845 1.00 0.00 C ATOM 10 C SER A 2 -3.543 12.946 13.902 1.00 0.00 C ATOM 11 O SER A 2 -2.446 12.446 13.653 1.00 0.00 O ATOM 12 CB SER A 2 -4.792 13.141 16.062 1.00 0.00 C ATOM 13 OG SER A 2 -3.617 13.318 16.834 1.00 0.00 O ATOM 0 H SER A 2 -3.329 11.001 16.030 1.00 0.00 H new ATOM 0 HA SER A 2 -5.459 12.087 14.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.164 14.111 15.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.572 12.693 16.678 1.00 0.00 H new ATOM 0 HG SER A 2 -3.815 13.890 17.605 1.00 0.00 H new ATOM 19 N SER A 3 -3.949 14.099 13.381 1.00 0.00 N ATOM 20 CA SER A 3 -3.109 14.860 12.462 1.00 0.00 C ATOM 21 C SER A 3 -2.192 15.811 13.225 1.00 0.00 C ATOM 22 O SER A 3 -2.283 15.933 14.446 1.00 0.00 O ATOM 23 CB SER A 3 -3.977 15.649 11.480 1.00 0.00 C ATOM 24 OG SER A 3 -4.473 14.810 10.451 1.00 0.00 O ATOM 0 H SER A 3 -4.853 14.527 13.579 1.00 0.00 H new ATOM 0 HA SER A 3 -2.491 14.156 11.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.810 16.108 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.393 16.459 11.043 1.00 0.00 H new ATOM 0 HG SER A 3 -5.026 15.337 9.837 1.00 0.00 H new ATOM 30 N GLY A 4 -1.307 16.482 12.495 1.00 0.00 N ATOM 31 CA GLY A 4 -0.385 17.414 13.118 1.00 0.00 C ATOM 32 C GLY A 4 0.381 18.238 12.103 1.00 0.00 C ATOM 33 O GLY A 4 0.654 17.774 10.996 1.00 0.00 O ATOM 0 H GLY A 4 -1.212 16.397 11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.939 18.081 13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.320 16.862 13.740 1.00 0.00 H new ATOM 37 N SER A 5 0.728 19.465 12.480 1.00 0.00 N ATOM 38 CA SER A 5 1.463 20.358 11.591 1.00 0.00 C ATOM 39 C SER A 5 2.481 21.184 12.372 1.00 0.00 C ATOM 40 O SER A 5 2.123 21.926 13.287 1.00 0.00 O ATOM 41 CB SER A 5 0.497 21.284 10.851 1.00 0.00 C ATOM 42 OG SER A 5 -0.317 20.556 9.949 1.00 0.00 O ATOM 0 H SER A 5 0.512 19.863 13.394 1.00 0.00 H new ATOM 0 HA SER A 5 1.998 19.748 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.131 21.809 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.060 22.042 10.307 1.00 0.00 H new ATOM 0 HG SER A 5 -0.927 21.170 9.490 1.00 0.00 H new ATOM 48 N SER A 6 3.751 21.049 12.004 1.00 0.00 N ATOM 49 CA SER A 6 4.822 21.780 12.672 1.00 0.00 C ATOM 50 C SER A 6 6.077 21.816 11.805 1.00 0.00 C ATOM 51 O SER A 6 6.360 20.876 11.063 1.00 0.00 O ATOM 52 CB SER A 6 5.140 21.138 14.024 1.00 0.00 C ATOM 53 OG SER A 6 5.661 22.093 14.931 1.00 0.00 O ATOM 0 H SER A 6 4.064 20.441 11.247 1.00 0.00 H new ATOM 0 HA SER A 6 4.484 22.803 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.237 20.692 14.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.860 20.331 13.887 1.00 0.00 H new ATOM 0 HG SER A 6 5.855 21.659 15.788 1.00 0.00 H new ATOM 59 N GLY A 7 6.827 22.909 11.906 1.00 0.00 N ATOM 60 CA GLY A 7 8.043 23.049 11.127 1.00 0.00 C ATOM 61 C GLY A 7 8.483 24.493 10.992 1.00 0.00 C ATOM 62 O GLY A 7 7.763 25.407 11.392 1.00 0.00 O ATOM 0 H GLY A 7 6.614 23.700 12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.840 22.472 11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.886 22.626 10.135 1.00 0.00 H new ATOM 66 N GLU A 8 9.670 24.699 10.430 1.00 0.00 N ATOM 67 CA GLU A 8 10.205 26.043 10.247 1.00 0.00 C ATOM 68 C GLU A 8 9.376 26.825 9.233 1.00 0.00 C ATOM 69 O GLU A 8 9.257 26.429 8.073 1.00 0.00 O ATOM 70 CB GLU A 8 11.664 25.977 9.788 1.00 0.00 C ATOM 71 CG GLU A 8 12.301 27.341 9.587 1.00 0.00 C ATOM 72 CD GLU A 8 12.427 28.122 10.881 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.384 28.430 11.494 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.571 28.426 11.280 1.00 0.00 O ATOM 0 H GLU A 8 10.279 23.953 10.094 1.00 0.00 H new ATOM 0 HA GLU A 8 10.156 26.560 11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.243 25.420 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.717 25.419 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.289 27.215 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.706 27.915 8.877 1.00 0.00 H new ATOM 81 N THR A 9 8.804 27.939 9.679 1.00 0.00 N ATOM 82 CA THR A 9 7.984 28.777 8.813 1.00 0.00 C ATOM 83 C THR A 9 8.772 29.244 7.594 1.00 0.00 C ATOM 84 O THR A 9 9.871 29.783 7.723 1.00 0.00 O ATOM 85 CB THR A 9 7.447 30.008 9.566 1.00 0.00 C ATOM 86 OG1 THR A 9 6.513 30.717 8.744 1.00 0.00 O ATOM 87 CG2 THR A 9 8.585 30.936 9.965 1.00 0.00 C ATOM 0 H THR A 9 8.894 28.282 10.635 1.00 0.00 H new ATOM 0 HA THR A 9 7.143 28.166 8.486 1.00 0.00 H new ATOM 0 HB THR A 9 6.945 29.663 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.175 31.497 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.182 31.799 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.279 30.402 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.110 31.273 9.071 1.00 0.00 H new ATOM 95 N GLY A 10 8.203 29.035 6.411 1.00 0.00 N ATOM 96 CA GLY A 10 8.867 29.441 5.186 1.00 0.00 C ATOM 97 C GLY A 10 9.942 28.463 4.757 1.00 0.00 C ATOM 98 O GLY A 10 10.990 28.362 5.393 1.00 0.00 O ATOM 0 H GLY A 10 7.294 28.592 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.128 29.536 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.312 30.426 5.327 1.00 0.00 H new ATOM 102 N GLY A 11 9.681 27.737 3.674 1.00 0.00 N ATOM 103 CA GLY A 11 10.643 26.769 3.180 1.00 0.00 C ATOM 104 C GLY A 11 10.215 26.144 1.867 1.00 0.00 C ATOM 105 O GLY A 11 9.653 26.820 1.005 1.00 0.00 O ATOM 0 H GLY A 11 8.821 27.802 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.609 27.256 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.780 25.985 3.925 1.00 0.00 H new ATOM 109 N GLU A 12 10.481 24.851 1.714 1.00 0.00 N ATOM 110 CA GLU A 12 10.122 24.137 0.494 1.00 0.00 C ATOM 111 C GLU A 12 8.639 23.775 0.493 1.00 0.00 C ATOM 112 O GLU A 12 7.934 23.999 1.477 1.00 0.00 O ATOM 113 CB GLU A 12 10.967 22.869 0.351 1.00 0.00 C ATOM 114 CG GLU A 12 10.604 21.779 1.345 1.00 0.00 C ATOM 115 CD GLU A 12 11.266 20.453 1.025 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.399 20.227 1.501 1.00 0.00 O ATOM 117 OE2 GLU A 12 10.653 19.643 0.300 1.00 0.00 O ATOM 0 H GLU A 12 10.943 24.277 2.419 1.00 0.00 H new ATOM 0 HA GLU A 12 10.320 24.794 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.853 22.479 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.018 23.127 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.896 22.094 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.522 21.647 1.355 1.00 0.00 H new ATOM 124 N ARG A 13 8.174 23.214 -0.619 1.00 0.00 N ATOM 125 CA ARG A 13 6.776 22.823 -0.749 1.00 0.00 C ATOM 126 C ARG A 13 6.354 21.917 0.404 1.00 0.00 C ATOM 127 O ARG A 13 7.183 21.502 1.214 1.00 0.00 O ATOM 128 CB ARG A 13 6.546 22.108 -2.083 1.00 0.00 C ATOM 129 CG ARG A 13 7.471 20.922 -2.305 1.00 0.00 C ATOM 130 CD ARG A 13 7.468 20.479 -3.759 1.00 0.00 C ATOM 131 NE ARG A 13 8.412 21.247 -4.567 1.00 0.00 N ATOM 132 CZ ARG A 13 9.731 21.120 -4.476 1.00 0.00 C ATOM 133 NH1 ARG A 13 10.260 20.259 -3.617 1.00 0.00 N ATOM 134 NH2 ARG A 13 10.525 21.854 -5.245 1.00 0.00 N ATOM 0 H ARG A 13 8.745 23.020 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 13 6.168 23.727 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.512 21.765 -2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.682 22.821 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.485 21.189 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.160 20.092 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.720 19.420 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.465 20.590 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 13 8.038 21.918 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.654 19.692 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.273 20.164 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.123 22.517 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.538 21.755 -5.174 1.00 0.00 H new ATOM 148 N GLN A 14 5.061 21.617 0.472 1.00 0.00 N ATOM 149 CA GLN A 14 4.531 20.762 1.527 1.00 0.00 C ATOM 150 C GLN A 14 3.659 19.655 0.944 1.00 0.00 C ATOM 151 O GLN A 14 2.498 19.880 0.600 1.00 0.00 O ATOM 152 CB GLN A 14 3.722 21.591 2.526 1.00 0.00 C ATOM 153 CG GLN A 14 4.580 22.463 3.429 1.00 0.00 C ATOM 154 CD GLN A 14 3.756 23.294 4.392 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.630 23.688 4.085 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.313 23.566 5.566 1.00 0.00 N ATOM 0 H GLN A 14 4.362 21.953 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 14 5.373 20.302 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.025 22.225 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.125 20.920 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.264 21.831 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.191 23.125 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.248 23.220 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.806 24.121 6.255 1.00 0.00 H new ATOM 165 N LEU A 15 4.226 18.458 0.834 1.00 0.00 N ATOM 166 CA LEU A 15 3.500 17.315 0.291 1.00 0.00 C ATOM 167 C LEU A 15 2.429 16.837 1.266 1.00 0.00 C ATOM 168 O LEU A 15 2.720 16.534 2.424 1.00 0.00 O ATOM 169 CB LEU A 15 4.469 16.173 -0.021 1.00 0.00 C ATOM 170 CG LEU A 15 3.891 14.760 0.067 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.756 14.585 -0.930 1.00 0.00 C ATOM 172 CD2 LEU A 15 4.978 13.723 -0.173 1.00 0.00 C ATOM 0 H LEU A 15 5.186 18.254 1.113 1.00 0.00 H new ATOM 0 HA LEU A 15 3.011 17.630 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.862 16.321 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.313 16.242 0.665 1.00 0.00 H new ATOM 0 HG LEU A 15 3.492 14.613 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.357 13.574 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.966 15.304 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.130 14.752 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.548 12.723 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.407 13.868 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.759 13.833 0.580 1.00 0.00 H new ATOM 184 N SER A 16 1.190 16.770 0.791 1.00 0.00 N ATOM 185 CA SER A 16 0.075 16.330 1.621 1.00 0.00 C ATOM 186 C SER A 16 -0.378 14.928 1.224 1.00 0.00 C ATOM 187 O SER A 16 -0.873 14.697 0.121 1.00 0.00 O ATOM 188 CB SER A 16 -1.094 17.309 1.502 1.00 0.00 C ATOM 189 OG SER A 16 -0.922 18.418 2.368 1.00 0.00 O ATOM 0 H SER A 16 0.933 17.015 -0.165 1.00 0.00 H new ATOM 0 HA SER A 16 0.413 16.304 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.177 17.657 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.026 16.798 1.742 1.00 0.00 H new ATOM 0 HG SER A 16 -1.783 18.655 2.771 1.00 0.00 H new ATOM 195 N PRO A 17 -0.205 13.969 2.145 1.00 0.00 N ATOM 196 CA PRO A 17 -0.589 12.573 1.915 1.00 0.00 C ATOM 197 C PRO A 17 -2.102 12.389 1.866 1.00 0.00 C ATOM 198 O PRO A 17 -2.604 11.476 1.211 1.00 0.00 O ATOM 199 CB PRO A 17 -0.001 11.839 3.123 1.00 0.00 C ATOM 200 CG PRO A 17 0.091 12.877 4.188 1.00 0.00 C ATOM 201 CD PRO A 17 0.379 14.172 3.481 1.00 0.00 C ATOM 0 HA PRO A 17 -0.226 12.203 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.638 11.010 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.978 11.419 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.839 12.940 4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.881 12.637 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.076 15.019 3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.449 14.370 3.426 1.00 0.00 H new ATOM 209 N GLU A 18 -2.823 13.262 2.562 1.00 0.00 N ATOM 210 CA GLU A 18 -4.279 13.194 2.597 1.00 0.00 C ATOM 211 C GLU A 18 -4.873 13.537 1.234 1.00 0.00 C ATOM 212 O GLU A 18 -5.796 12.874 0.761 1.00 0.00 O ATOM 213 CB GLU A 18 -4.831 14.147 3.660 1.00 0.00 C ATOM 214 CG GLU A 18 -4.443 15.599 3.436 1.00 0.00 C ATOM 215 CD GLU A 18 -5.054 16.531 4.464 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.298 16.556 4.577 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.289 17.235 5.156 1.00 0.00 O ATOM 0 H GLU A 18 -2.423 14.024 3.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.563 12.173 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.918 14.069 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.473 13.831 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.357 15.690 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.759 15.906 2.439 1.00 0.00 H new ATOM 224 N LYS A 19 -4.336 14.578 0.606 1.00 0.00 N ATOM 225 CA LYS A 19 -4.810 15.011 -0.703 1.00 0.00 C ATOM 226 C LYS A 19 -4.501 13.962 -1.767 1.00 0.00 C ATOM 227 O LYS A 19 -5.284 13.756 -2.694 1.00 0.00 O ATOM 228 CB LYS A 19 -4.166 16.345 -1.086 1.00 0.00 C ATOM 229 CG LYS A 19 -4.540 17.489 -0.159 1.00 0.00 C ATOM 230 CD LYS A 19 -4.674 18.800 -0.916 1.00 0.00 C ATOM 231 CE LYS A 19 -6.035 18.923 -1.582 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.020 19.619 -0.708 1.00 0.00 N ATOM 0 H LYS A 19 -3.571 15.138 0.983 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.891 15.139 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.082 16.229 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.460 16.602 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.480 17.260 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.782 17.592 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.527 19.634 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.891 18.867 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.932 19.469 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.409 17.930 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.935 19.683 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.138 19.085 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.676 20.576 -0.491 1.00 0.00 H new ATOM 246 N SER A 20 -3.356 13.301 -1.626 1.00 0.00 N ATOM 247 CA SER A 20 -2.944 12.275 -2.577 1.00 0.00 C ATOM 248 C SER A 20 -4.075 11.283 -2.830 1.00 0.00 C ATOM 249 O SER A 20 -4.810 10.917 -1.913 1.00 0.00 O ATOM 250 CB SER A 20 -1.709 11.537 -2.058 1.00 0.00 C ATOM 251 OG SER A 20 -0.608 12.419 -1.918 1.00 0.00 O ATOM 0 H SER A 20 -2.698 13.458 -0.863 1.00 0.00 H new ATOM 0 HA SER A 20 -2.697 12.765 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.934 11.076 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.448 10.731 -2.744 1.00 0.00 H new ATOM 0 HG SER A 20 -0.797 13.069 -1.209 1.00 0.00 H new ATOM 257 N GLU A 21 -4.207 10.853 -4.081 1.00 0.00 N ATOM 258 CA GLU A 21 -5.248 9.903 -4.455 1.00 0.00 C ATOM 259 C GLU A 21 -4.640 8.595 -4.951 1.00 0.00 C ATOM 260 O GLU A 21 -3.774 8.594 -5.827 1.00 0.00 O ATOM 261 CB GLU A 21 -6.150 10.502 -5.537 1.00 0.00 C ATOM 262 CG GLU A 21 -6.819 11.801 -5.122 1.00 0.00 C ATOM 263 CD GLU A 21 -8.128 11.575 -4.392 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.243 10.556 -3.679 1.00 0.00 O ATOM 265 OE2 GLU A 21 -9.039 12.419 -4.533 1.00 0.00 O ATOM 0 H GLU A 21 -3.607 11.147 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.846 9.691 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.558 10.679 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.919 9.775 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.142 12.365 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.001 12.410 -6.007 1.00 0.00 H new ATOM 272 N ILE A 22 -5.098 7.484 -4.384 1.00 0.00 N ATOM 273 CA ILE A 22 -4.599 6.169 -4.768 1.00 0.00 C ATOM 274 C ILE A 22 -5.649 5.392 -5.555 1.00 0.00 C ATOM 275 O ILE A 22 -6.805 5.298 -5.143 1.00 0.00 O ATOM 276 CB ILE A 22 -4.181 5.344 -3.537 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.184 6.130 -2.683 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.582 4.014 -3.970 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.684 5.364 -1.479 1.00 0.00 C ATOM 0 H ILE A 22 -5.814 7.468 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.725 6.334 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.067 5.143 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.333 6.414 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.655 7.053 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.291 3.442 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.320 3.451 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.705 4.195 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.981 5.982 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.526 5.103 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.183 4.454 -1.809 1.00 0.00 H new ATOM 291 N TRP A 23 -5.237 4.834 -6.688 1.00 0.00 N ATOM 292 CA TRP A 23 -6.142 4.062 -7.532 1.00 0.00 C ATOM 293 C TRP A 23 -5.422 2.874 -8.158 1.00 0.00 C ATOM 294 O TRP A 23 -4.205 2.898 -8.337 1.00 0.00 O ATOM 295 CB TRP A 23 -6.733 4.951 -8.628 1.00 0.00 C ATOM 296 CG TRP A 23 -5.761 5.271 -9.722 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.506 4.524 -10.837 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.912 6.421 -9.805 1.00 0.00 C ATOM 299 NE1 TRP A 23 -4.550 5.140 -11.607 1.00 0.00 N ATOM 300 CE2 TRP A 23 -4.170 6.306 -10.997 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.708 7.538 -8.990 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -3.240 7.265 -11.390 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.785 8.488 -9.381 1.00 0.00 C ATOM 304 CH2 TRP A 23 -3.061 8.348 -10.573 1.00 0.00 C ATOM 0 H TRP A 23 -4.283 4.902 -7.043 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.950 3.684 -6.905 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.603 4.455 -9.058 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -7.085 5.881 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.986 3.587 -11.078 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.182 4.786 -12.490 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.262 7.656 -8.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.680 7.158 -12.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.618 9.354 -8.757 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.348 9.110 -10.852 1.00 0.00 H new ATOM 315 N GLY A 24 -6.181 1.834 -8.490 1.00 0.00 N ATOM 316 CA GLY A 24 -5.597 0.650 -9.092 1.00 0.00 C ATOM 317 C GLY A 24 -6.571 -0.510 -9.156 1.00 0.00 C ATOM 318 O GLY A 24 -7.417 -0.686 -8.279 1.00 0.00 O ATOM 0 H GLY A 24 -7.191 1.791 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.256 0.889 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.718 0.351 -8.520 1.00 0.00 H new ATOM 322 N PRO A 25 -6.459 -1.324 -10.216 1.00 0.00 N ATOM 323 CA PRO A 25 -7.329 -2.486 -10.417 1.00 0.00 C ATOM 324 C PRO A 25 -7.054 -3.598 -9.410 1.00 0.00 C ATOM 325 O PRO A 25 -7.672 -4.660 -9.459 1.00 0.00 O ATOM 326 CB PRO A 25 -6.981 -2.950 -11.833 1.00 0.00 C ATOM 327 CG PRO A 25 -5.590 -2.466 -12.059 1.00 0.00 C ATOM 328 CD PRO A 25 -5.473 -1.173 -11.299 1.00 0.00 C ATOM 0 HA PRO A 25 -8.381 -2.235 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.042 -4.035 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.670 -2.532 -12.567 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.861 -3.194 -11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.398 -2.313 -13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.466 -1.026 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.698 -0.314 -11.931 1.00 0.00 H new ATOM 336 N GLY A 26 -6.121 -3.345 -8.496 1.00 0.00 N ATOM 337 CA GLY A 26 -5.781 -4.334 -7.490 1.00 0.00 C ATOM 338 C GLY A 26 -6.694 -4.270 -6.282 1.00 0.00 C ATOM 339 O GLY A 26 -6.425 -4.899 -5.257 1.00 0.00 O ATOM 0 H GLY A 26 -5.595 -2.473 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.836 -5.329 -7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.750 -4.183 -7.171 1.00 0.00 H new ATOM 343 N LEU A 27 -7.776 -3.508 -6.400 1.00 0.00 N ATOM 344 CA LEU A 27 -8.732 -3.363 -5.307 1.00 0.00 C ATOM 345 C LEU A 27 -10.033 -4.094 -5.622 1.00 0.00 C ATOM 346 O LEU A 27 -10.553 -4.843 -4.794 1.00 0.00 O ATOM 347 CB LEU A 27 -9.016 -1.883 -5.046 1.00 0.00 C ATOM 348 CG LEU A 27 -7.827 -1.044 -4.574 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.053 0.427 -4.886 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.591 -1.245 -3.084 1.00 0.00 C ATOM 0 H LEU A 27 -8.013 -2.981 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.295 -3.806 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.405 -1.441 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.805 -1.812 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.938 -1.375 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.197 1.007 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.172 0.557 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.953 0.773 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.742 -0.641 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.480 -0.942 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.382 -2.297 -2.887 1.00 0.00 H new ATOM 362 N LYS A 28 -10.554 -3.874 -6.824 1.00 0.00 N ATOM 363 CA LYS A 28 -11.792 -4.514 -7.251 1.00 0.00 C ATOM 364 C LYS A 28 -11.846 -5.963 -6.780 1.00 0.00 C ATOM 365 O LYS A 28 -10.818 -6.561 -6.462 1.00 0.00 O ATOM 366 CB LYS A 28 -11.922 -4.456 -8.775 1.00 0.00 C ATOM 367 CG LYS A 28 -10.638 -4.807 -9.507 1.00 0.00 C ATOM 368 CD LYS A 28 -10.591 -4.168 -10.885 1.00 0.00 C ATOM 369 CE LYS A 28 -11.439 -4.937 -11.886 1.00 0.00 C ATOM 370 NZ LYS A 28 -10.693 -6.077 -12.486 1.00 0.00 N ATOM 0 H LYS A 28 -10.137 -3.256 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.625 -3.973 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.709 -5.140 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.235 -3.454 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.781 -4.474 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.557 -5.890 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.945 -3.139 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.559 -4.130 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.336 -5.310 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.768 -4.263 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.119 -6.328 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.700 -5.805 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.738 -6.896 -11.847 1.00 0.00 H new ATOM 384 N ALA A 29 -13.051 -6.523 -6.739 1.00 0.00 N ATOM 385 CA ALA A 29 -13.237 -7.904 -6.311 1.00 0.00 C ATOM 386 C ALA A 29 -12.425 -8.862 -7.177 1.00 0.00 C ATOM 387 O ALA A 29 -11.414 -9.407 -6.735 1.00 0.00 O ATOM 388 CB ALA A 29 -14.712 -8.275 -6.351 1.00 0.00 C ATOM 0 H ALA A 29 -13.912 -6.042 -6.997 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.879 -7.991 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.836 -9.309 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.271 -7.618 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.088 -8.164 -7.368 1.00 0.00 H new ATOM 394 N ASP A 30 -12.875 -9.062 -8.411 1.00 0.00 N ATOM 395 CA ASP A 30 -12.190 -9.954 -9.338 1.00 0.00 C ATOM 396 C ASP A 30 -10.846 -9.370 -9.762 1.00 0.00 C ATOM 397 O ASP A 30 -10.778 -8.527 -10.658 1.00 0.00 O ATOM 398 CB ASP A 30 -13.060 -10.210 -10.570 1.00 0.00 C ATOM 399 CG ASP A 30 -14.446 -10.705 -10.207 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.578 -11.898 -9.863 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.399 -9.900 -10.267 1.00 0.00 O ATOM 0 H ASP A 30 -13.711 -8.618 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.010 -10.900 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.146 -9.290 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.571 -10.944 -11.210 1.00 0.00 H new ATOM 406 N VAL A 31 -9.778 -9.822 -9.112 1.00 0.00 N ATOM 407 CA VAL A 31 -8.436 -9.343 -9.422 1.00 0.00 C ATOM 408 C VAL A 31 -7.496 -10.504 -9.727 1.00 0.00 C ATOM 409 O VAL A 31 -7.863 -11.670 -9.580 1.00 0.00 O ATOM 410 CB VAL A 31 -7.853 -8.517 -8.260 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.778 -7.362 -7.909 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.609 -9.402 -7.047 1.00 0.00 C ATOM 0 H VAL A 31 -9.816 -10.519 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.522 -8.707 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.896 -8.102 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.350 -6.790 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.897 -6.715 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.751 -7.753 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.197 -8.802 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.551 -9.848 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.904 -10.191 -7.308 1.00 0.00 H new ATOM 422 N VAL A 32 -6.280 -10.177 -10.154 1.00 0.00 N ATOM 423 CA VAL A 32 -5.285 -11.193 -10.479 1.00 0.00 C ATOM 424 C VAL A 32 -5.259 -12.294 -9.425 1.00 0.00 C ATOM 425 O VAL A 32 -5.563 -12.056 -8.255 1.00 0.00 O ATOM 426 CB VAL A 32 -3.877 -10.580 -10.600 1.00 0.00 C ATOM 427 CG1 VAL A 32 -3.856 -9.496 -11.666 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.419 -10.029 -9.258 1.00 0.00 C ATOM 0 H VAL A 32 -5.960 -9.217 -10.283 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.571 -11.621 -11.440 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.183 -11.365 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.853 -9.075 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.138 -9.926 -12.627 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.562 -8.709 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.422 -9.600 -9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.113 -9.258 -8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.392 -10.834 -8.524 1.00 0.00 H new ATOM 438 N LEU A 33 -4.895 -13.500 -9.846 1.00 0.00 N ATOM 439 CA LEU A 33 -4.828 -14.640 -8.939 1.00 0.00 C ATOM 440 C LEU A 33 -3.756 -14.427 -7.874 1.00 0.00 C ATOM 441 O LEU A 33 -4.033 -14.407 -6.675 1.00 0.00 O ATOM 442 CB LEU A 33 -4.539 -15.923 -9.720 1.00 0.00 C ATOM 443 CG LEU A 33 -5.760 -16.741 -10.143 1.00 0.00 C ATOM 444 CD1 LEU A 33 -6.501 -16.047 -11.275 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.344 -18.145 -10.556 1.00 0.00 C ATOM 0 H LEU A 33 -4.642 -13.714 -10.811 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.794 -14.734 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.975 -15.660 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.895 -16.558 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.434 -16.820 -9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.367 -16.644 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.832 -15.063 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.836 -15.936 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.225 -18.713 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.649 -18.087 -11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.859 -18.642 -9.716 1.00 0.00 H new ATOM 457 N PRO A 34 -2.503 -14.261 -8.321 1.00 0.00 N ATOM 458 CA PRO A 34 -1.364 -14.043 -7.424 1.00 0.00 C ATOM 459 C PRO A 34 -1.410 -12.676 -6.751 1.00 0.00 C ATOM 460 O PRO A 34 -1.996 -12.519 -5.681 1.00 0.00 O ATOM 461 CB PRO A 34 -0.154 -14.141 -8.356 1.00 0.00 C ATOM 462 CG PRO A 34 -0.681 -13.777 -9.701 1.00 0.00 C ATOM 463 CD PRO A 34 -2.100 -14.273 -9.738 1.00 0.00 C ATOM 0 HA PRO A 34 -1.347 -14.762 -6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.641 -13.463 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.266 -15.147 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.640 -12.699 -9.857 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.086 -14.236 -10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.736 -13.626 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.165 -15.273 -10.166 1.00 0.00 H new ATOM 471 N ALA A 35 -0.787 -11.688 -7.387 1.00 0.00 N ATOM 472 CA ALA A 35 -0.759 -10.333 -6.851 1.00 0.00 C ATOM 473 C ALA A 35 -0.735 -9.300 -7.972 1.00 0.00 C ATOM 474 O ALA A 35 -0.272 -9.580 -9.077 1.00 0.00 O ATOM 475 CB ALA A 35 0.445 -10.151 -5.938 1.00 0.00 C ATOM 0 H ALA A 35 -0.295 -11.801 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.668 -10.180 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.453 -9.134 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.385 -10.859 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.360 -10.329 -6.503 1.00 0.00 H new ATOM 481 N ARG A 36 -1.239 -8.105 -7.680 1.00 0.00 N ATOM 482 CA ARG A 36 -1.277 -7.030 -8.664 1.00 0.00 C ATOM 483 C ARG A 36 -0.548 -5.793 -8.147 1.00 0.00 C ATOM 484 O ARG A 36 -0.457 -5.573 -6.939 1.00 0.00 O ATOM 485 CB ARG A 36 -2.725 -6.676 -9.009 1.00 0.00 C ATOM 486 CG ARG A 36 -2.907 -6.172 -10.431 1.00 0.00 C ATOM 487 CD ARG A 36 -2.756 -4.660 -10.509 1.00 0.00 C ATOM 488 NE ARG A 36 -2.227 -4.229 -11.800 1.00 0.00 N ATOM 489 CZ ARG A 36 -2.882 -4.368 -12.946 1.00 0.00 C ATOM 490 NH1 ARG A 36 -4.086 -4.924 -12.963 1.00 0.00 N ATOM 491 NH2 ARG A 36 -2.334 -3.950 -14.080 1.00 0.00 N ATOM 0 H ARG A 36 -1.627 -7.857 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.771 -7.378 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.350 -7.557 -8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.079 -5.914 -8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.174 -6.646 -11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.892 -6.460 -10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.724 -4.190 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.093 -4.320 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.303 -3.797 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.511 -5.246 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.587 -5.029 -13.845 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.408 -3.521 -14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.838 -4.057 -14.960 1.00 0.00 H new ATOM 505 N TYR A 37 -0.032 -4.989 -9.070 1.00 0.00 N ATOM 506 CA TYR A 37 0.691 -3.775 -8.708 1.00 0.00 C ATOM 507 C TYR A 37 -0.096 -2.532 -9.111 1.00 0.00 C ATOM 508 O TYR A 37 -0.657 -2.465 -10.205 1.00 0.00 O ATOM 509 CB TYR A 37 2.068 -3.759 -9.373 1.00 0.00 C ATOM 510 CG TYR A 37 2.012 -3.625 -10.878 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.948 -4.748 -11.693 1.00 0.00 C ATOM 512 CD2 TYR A 37 2.023 -2.375 -11.484 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.898 -4.630 -13.069 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.971 -2.247 -12.859 1.00 0.00 C ATOM 515 CZ TYR A 37 1.909 -3.378 -13.647 1.00 0.00 C ATOM 516 OH TYR A 37 1.858 -3.256 -15.016 1.00 0.00 O ATOM 0 H TYR A 37 -0.101 -5.156 -10.074 1.00 0.00 H new ATOM 0 HA TYR A 37 0.818 -3.767 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.650 -2.933 -8.964 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.596 -4.678 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.937 -5.730 -11.244 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.073 -1.488 -10.870 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.851 -5.514 -13.688 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.979 -1.268 -13.314 1.00 0.00 H new ATOM 0 HH TYR A 37 1.873 -2.307 -15.261 1.00 0.00 H new ATOM 526 N PHE A 38 -0.132 -1.547 -8.219 1.00 0.00 N ATOM 527 CA PHE A 38 -0.849 -0.305 -8.480 1.00 0.00 C ATOM 528 C PHE A 38 0.103 0.887 -8.460 1.00 0.00 C ATOM 529 O PHE A 38 1.311 0.728 -8.285 1.00 0.00 O ATOM 530 CB PHE A 38 -1.958 -0.104 -7.445 1.00 0.00 C ATOM 531 CG PHE A 38 -1.451 -0.014 -6.034 1.00 0.00 C ATOM 532 CD1 PHE A 38 -0.995 -1.143 -5.373 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.431 1.201 -5.367 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.527 -1.063 -4.075 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.965 1.287 -4.069 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.513 0.153 -3.422 1.00 0.00 C ATOM 0 H PHE A 38 0.327 -1.585 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.296 -0.374 -9.472 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.507 0.807 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.665 -0.930 -7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.005 -2.097 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.784 2.091 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.173 -1.951 -3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.954 2.240 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.149 0.218 -2.407 1.00 0.00 H new ATOM 546 N TYR A 39 -0.451 2.081 -8.641 1.00 0.00 N ATOM 547 CA TYR A 39 0.348 3.301 -8.648 1.00 0.00 C ATOM 548 C TYR A 39 -0.126 4.269 -7.568 1.00 0.00 C ATOM 549 O TYR A 39 -1.322 4.371 -7.293 1.00 0.00 O ATOM 550 CB TYR A 39 0.278 3.975 -10.019 1.00 0.00 C ATOM 551 CG TYR A 39 0.298 3.000 -11.175 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.383 2.157 -11.379 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.769 2.921 -12.061 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.406 1.265 -12.434 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.755 2.032 -13.118 1.00 0.00 C ATOM 556 CZ TYR A 39 0.334 1.206 -13.301 1.00 0.00 C ATOM 557 OH TYR A 39 0.353 0.318 -14.352 1.00 0.00 O ATOM 0 H TYR A 39 -1.450 2.230 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 39 1.382 3.028 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.632 4.573 -10.075 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.118 4.662 -10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.223 2.199 -10.701 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.624 3.566 -11.921 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.258 0.618 -12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.593 1.984 -13.798 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.477 0.402 -14.866 1.00 0.00 H new ATOM 567 N ILE A 40 0.819 4.977 -6.961 1.00 0.00 N ATOM 568 CA ILE A 40 0.499 5.938 -5.912 1.00 0.00 C ATOM 569 C ILE A 40 0.902 7.351 -6.320 1.00 0.00 C ATOM 570 O ILE A 40 2.087 7.680 -6.364 1.00 0.00 O ATOM 571 CB ILE A 40 1.197 5.579 -4.587 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.636 4.270 -4.028 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.031 6.707 -3.579 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.489 3.666 -2.935 1.00 0.00 C ATOM 0 H ILE A 40 1.813 4.904 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.580 5.898 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 40 2.261 5.443 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.366 4.450 -3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.537 3.550 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.530 6.439 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.474 7.620 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.030 6.872 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.031 2.741 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.484 3.454 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.567 4.368 -2.105 1.00 0.00 H new ATOM 586 N GLN A 41 -0.092 8.182 -6.616 1.00 0.00 N ATOM 587 CA GLN A 41 0.159 9.560 -7.019 1.00 0.00 C ATOM 588 C GLN A 41 0.229 10.479 -5.804 1.00 0.00 C ATOM 589 O GLN A 41 -0.589 10.377 -4.889 1.00 0.00 O ATOM 590 CB GLN A 41 -0.933 10.042 -7.975 1.00 0.00 C ATOM 591 CG GLN A 41 -0.829 11.518 -8.325 1.00 0.00 C ATOM 592 CD GLN A 41 0.058 11.771 -9.528 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.022 11.026 -10.508 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.860 12.827 -9.461 1.00 0.00 N ATOM 0 H GLN A 41 -1.079 7.925 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 41 1.120 9.592 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.885 9.456 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.908 9.852 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.826 11.911 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.436 12.064 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.857 13.417 -8.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.479 13.048 -10.241 1.00 0.00 H new ATOM 603 N ALA A 42 1.210 11.375 -5.801 1.00 0.00 N ATOM 604 CA ALA A 42 1.385 12.313 -4.698 1.00 0.00 C ATOM 605 C ALA A 42 0.717 13.649 -5.004 1.00 0.00 C ATOM 606 O ALA A 42 0.571 14.031 -6.165 1.00 0.00 O ATOM 607 CB ALA A 42 2.864 12.514 -4.406 1.00 0.00 C ATOM 0 H ALA A 42 1.896 11.472 -6.550 1.00 0.00 H new ATOM 0 HA ALA A 42 0.906 11.891 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.980 13.216 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.315 11.559 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.359 12.911 -5.292 1.00 0.00 H new ATOM 613 N VAL A 43 0.313 14.357 -3.953 1.00 0.00 N ATOM 614 CA VAL A 43 -0.339 15.652 -4.109 1.00 0.00 C ATOM 615 C VAL A 43 0.078 16.614 -3.003 1.00 0.00 C ATOM 616 O VAL A 43 0.344 16.201 -1.874 1.00 0.00 O ATOM 617 CB VAL A 43 -1.873 15.513 -4.102 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.534 16.882 -4.135 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.335 14.660 -5.274 1.00 0.00 C ATOM 0 H VAL A 43 0.426 14.055 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.022 16.051 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.171 15.015 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.617 16.763 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.227 17.455 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.232 17.410 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.421 14.572 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.026 15.128 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.889 13.668 -5.200 1.00 0.00 H new ATOM 629 N ASP A 44 0.133 17.899 -3.334 1.00 0.00 N ATOM 630 CA ASP A 44 0.517 18.922 -2.367 1.00 0.00 C ATOM 631 C ASP A 44 -0.651 19.266 -1.448 1.00 0.00 C ATOM 632 O ASP A 44 -1.714 18.647 -1.517 1.00 0.00 O ATOM 633 CB ASP A 44 1.001 20.180 -3.089 1.00 0.00 C ATOM 634 CG ASP A 44 2.014 20.961 -2.275 1.00 0.00 C ATOM 635 OD1 ASP A 44 3.211 20.612 -2.326 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.609 21.922 -1.587 1.00 0.00 O ATOM 0 H ASP A 44 -0.083 18.258 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 44 1.330 18.526 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.445 19.899 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.147 20.820 -3.311 1.00 0.00 H new ATOM 641 N THR A 45 -0.447 20.257 -0.585 1.00 0.00 N ATOM 642 CA THR A 45 -1.481 20.682 0.350 1.00 0.00 C ATOM 643 C THR A 45 -2.605 21.417 -0.371 1.00 0.00 C ATOM 644 O THR A 45 -3.663 21.671 0.205 1.00 0.00 O ATOM 645 CB THR A 45 -0.905 21.597 1.447 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.425 22.815 0.867 1.00 0.00 O ATOM 647 CG2 THR A 45 0.226 20.903 2.191 1.00 0.00 C ATOM 0 H THR A 45 0.426 20.780 -0.515 1.00 0.00 H new ATOM 0 HA THR A 45 -1.879 19.779 0.813 1.00 0.00 H new ATOM 0 HB THR A 45 -1.701 21.822 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.062 23.392 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.617 21.568 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.150 19.991 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.022 20.651 1.490 1.00 0.00 H new ATOM 655 N SER A 46 -2.370 21.756 -1.634 1.00 0.00 N ATOM 656 CA SER A 46 -3.363 22.465 -2.433 1.00 0.00 C ATOM 657 C SER A 46 -4.036 21.522 -3.426 1.00 0.00 C ATOM 658 O SER A 46 -5.261 21.426 -3.475 1.00 0.00 O ATOM 659 CB SER A 46 -2.710 23.629 -3.180 1.00 0.00 C ATOM 660 OG SER A 46 -2.604 24.773 -2.350 1.00 0.00 O ATOM 0 H SER A 46 -1.501 21.551 -2.127 1.00 0.00 H new ATOM 0 HA SER A 46 -4.124 22.857 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.719 23.333 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.297 23.872 -4.066 1.00 0.00 H new ATOM 0 HG SER A 46 -2.182 25.502 -2.850 1.00 0.00 H new ATOM 666 N GLY A 47 -3.223 20.827 -4.217 1.00 0.00 N ATOM 667 CA GLY A 47 -3.757 19.901 -5.198 1.00 0.00 C ATOM 668 C GLY A 47 -3.038 19.989 -6.530 1.00 0.00 C ATOM 669 O GLY A 47 -3.668 19.966 -7.586 1.00 0.00 O ATOM 0 H GLY A 47 -2.205 20.889 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.679 18.884 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.817 20.105 -5.347 1.00 0.00 H new ATOM 673 N ASN A 48 -1.713 20.092 -6.480 1.00 0.00 N ATOM 674 CA ASN A 48 -0.908 20.187 -7.692 1.00 0.00 C ATOM 675 C ASN A 48 0.018 18.981 -7.825 1.00 0.00 C ATOM 676 O ASN A 48 1.036 18.887 -7.139 1.00 0.00 O ATOM 677 CB ASN A 48 -0.086 21.477 -7.683 1.00 0.00 C ATOM 678 CG ASN A 48 0.364 21.867 -6.288 1.00 0.00 C ATOM 679 OD1 ASN A 48 1.492 21.581 -5.885 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.519 22.522 -5.544 1.00 0.00 N ATOM 0 H ASN A 48 -1.175 20.112 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.583 20.201 -8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.788 21.352 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.680 22.286 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.274 22.810 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.442 22.738 -5.920 1.00 0.00 H new ATOM 687 N LYS A 49 -0.343 18.061 -8.713 1.00 0.00 N ATOM 688 CA LYS A 49 0.455 16.862 -8.939 1.00 0.00 C ATOM 689 C LYS A 49 1.944 17.165 -8.803 1.00 0.00 C ATOM 690 O LYS A 49 2.427 18.185 -9.294 1.00 0.00 O ATOM 691 CB LYS A 49 0.166 16.286 -10.328 1.00 0.00 C ATOM 692 CG LYS A 49 -1.118 15.478 -10.396 1.00 0.00 C ATOM 693 CD LYS A 49 -1.536 15.216 -11.833 1.00 0.00 C ATOM 694 CE LYS A 49 -2.380 13.956 -11.947 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.744 14.149 -11.381 1.00 0.00 N ATOM 0 H LYS A 49 -1.183 18.123 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 49 0.181 16.126 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.109 17.104 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.000 15.653 -10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.980 14.529 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.913 16.012 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.101 16.069 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.649 15.119 -12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.459 13.666 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.883 13.138 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.288 13.268 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.670 14.401 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.228 14.913 -11.895 1.00 0.00 H new ATOM 709 N PHE A 50 2.666 16.272 -8.134 1.00 0.00 N ATOM 710 CA PHE A 50 4.100 16.444 -7.934 1.00 0.00 C ATOM 711 C PHE A 50 4.873 16.090 -9.202 1.00 0.00 C ATOM 712 O PHE A 50 5.718 16.858 -9.663 1.00 0.00 O ATOM 713 CB PHE A 50 4.582 15.575 -6.771 1.00 0.00 C ATOM 714 CG PHE A 50 4.531 16.271 -5.441 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.317 16.526 -4.824 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.697 16.672 -4.808 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.266 17.167 -3.600 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.652 17.313 -3.585 1.00 0.00 C ATOM 719 CZ PHE A 50 4.435 17.561 -2.980 1.00 0.00 C ATOM 0 H PHE A 50 2.281 15.422 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 50 4.285 17.492 -7.697 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.971 14.674 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.606 15.256 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.400 16.220 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.651 16.481 -5.276 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.313 17.359 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.568 17.620 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.398 18.062 -2.024 1.00 0.00 H new ATOM 729 N THR A 51 4.577 14.920 -9.761 1.00 0.00 N ATOM 730 CA THR A 51 5.244 14.463 -10.973 1.00 0.00 C ATOM 731 C THR A 51 6.756 14.620 -10.862 1.00 0.00 C ATOM 732 O THR A 51 7.452 14.747 -11.869 1.00 0.00 O ATOM 733 CB THR A 51 4.749 15.233 -12.211 1.00 0.00 C ATOM 734 OG1 THR A 51 4.876 16.643 -11.994 1.00 0.00 O ATOM 735 CG2 THR A 51 3.299 14.891 -12.518 1.00 0.00 C ATOM 0 H THR A 51 3.880 14.273 -9.393 1.00 0.00 H new ATOM 0 HA THR A 51 4.999 13.407 -11.089 1.00 0.00 H new ATOM 0 HB THR A 51 5.363 14.940 -13.063 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.556 16.808 -11.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.972 15.447 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.210 13.822 -12.712 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.674 15.158 -11.666 1.00 0.00 H new ATOM 743 N SER A 52 7.259 14.609 -9.631 1.00 0.00 N ATOM 744 CA SER A 52 8.689 14.753 -9.389 1.00 0.00 C ATOM 745 C SER A 52 9.195 13.658 -8.455 1.00 0.00 C ATOM 746 O SER A 52 8.420 12.834 -7.969 1.00 0.00 O ATOM 747 CB SER A 52 8.990 16.129 -8.790 1.00 0.00 C ATOM 748 OG SER A 52 8.726 17.160 -9.725 1.00 0.00 O ATOM 0 H SER A 52 6.697 14.502 -8.787 1.00 0.00 H new ATOM 0 HA SER A 52 9.205 14.659 -10.344 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.385 16.280 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.034 16.174 -8.480 1.00 0.00 H new ATOM 0 HG SER A 52 7.759 17.237 -9.862 1.00 0.00 H new ATOM 754 N SER A 53 10.501 13.656 -8.208 1.00 0.00 N ATOM 755 CA SER A 53 11.113 12.660 -7.336 1.00 0.00 C ATOM 756 C SER A 53 11.224 13.185 -5.907 1.00 0.00 C ATOM 757 O SER A 53 12.064 14.028 -5.592 1.00 0.00 O ATOM 758 CB SER A 53 12.498 12.275 -7.859 1.00 0.00 C ATOM 759 OG SER A 53 13.317 13.420 -8.026 1.00 0.00 O ATOM 0 H SER A 53 11.156 14.333 -8.599 1.00 0.00 H new ATOM 0 HA SER A 53 10.476 11.776 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.973 11.583 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.399 11.753 -8.811 1.00 0.00 H new ATOM 0 HG SER A 53 13.173 14.037 -7.278 1.00 0.00 H new ATOM 765 N PRO A 54 10.356 12.674 -5.021 1.00 0.00 N ATOM 766 CA PRO A 54 10.336 13.075 -3.611 1.00 0.00 C ATOM 767 C PRO A 54 11.559 12.576 -2.849 1.00 0.00 C ATOM 768 O PRO A 54 12.160 13.314 -2.070 1.00 0.00 O ATOM 769 CB PRO A 54 9.064 12.414 -3.073 1.00 0.00 C ATOM 770 CG PRO A 54 8.835 11.247 -3.970 1.00 0.00 C ATOM 771 CD PRO A 54 9.328 11.665 -5.327 1.00 0.00 C ATOM 0 HA PRO A 54 10.352 14.159 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.190 12.099 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.220 13.103 -3.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.373 10.369 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.778 10.982 -4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.744 10.823 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.525 12.081 -5.936 1.00 0.00 H new ATOM 779 N GLY A 55 11.922 11.318 -3.080 1.00 0.00 N ATOM 780 CA GLY A 55 13.072 10.742 -2.408 1.00 0.00 C ATOM 781 C GLY A 55 13.243 9.267 -2.711 1.00 0.00 C ATOM 782 O GLY A 55 12.705 8.764 -3.696 1.00 0.00 O ATOM 0 H GLY A 55 11.440 10.687 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.972 11.278 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.966 10.879 -1.332 1.00 0.00 H new ATOM 786 N GLU A 56 13.995 8.573 -1.863 1.00 0.00 N ATOM 787 CA GLU A 56 14.237 7.147 -2.048 1.00 0.00 C ATOM 788 C GLU A 56 13.086 6.322 -1.480 1.00 0.00 C ATOM 789 O GLU A 56 12.735 5.272 -2.018 1.00 0.00 O ATOM 790 CB GLU A 56 15.551 6.739 -1.377 1.00 0.00 C ATOM 791 CG GLU A 56 15.628 7.118 0.092 1.00 0.00 C ATOM 792 CD GLU A 56 16.114 8.538 0.303 1.00 0.00 C ATOM 793 OE1 GLU A 56 16.443 9.207 -0.699 1.00 0.00 O ATOM 794 OE2 GLU A 56 16.166 8.981 1.470 1.00 0.00 O ATOM 0 H GLU A 56 14.447 8.975 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 56 14.308 6.952 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.678 5.661 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.381 7.206 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.643 7.004 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.297 6.429 0.607 1.00 0.00 H new ATOM 801 N LYS A 57 12.502 6.805 -0.389 1.00 0.00 N ATOM 802 CA LYS A 57 11.389 6.115 0.254 1.00 0.00 C ATOM 803 C LYS A 57 10.478 7.103 0.974 1.00 0.00 C ATOM 804 O LYS A 57 10.827 7.627 2.032 1.00 0.00 O ATOM 805 CB LYS A 57 11.913 5.072 1.244 1.00 0.00 C ATOM 806 CG LYS A 57 12.747 3.982 0.595 1.00 0.00 C ATOM 807 CD LYS A 57 11.882 3.009 -0.188 1.00 0.00 C ATOM 808 CE LYS A 57 12.667 2.342 -1.307 1.00 0.00 C ATOM 809 NZ LYS A 57 13.368 1.115 -0.838 1.00 0.00 N ATOM 0 H LYS A 57 12.781 7.673 0.069 1.00 0.00 H new ATOM 0 HA LYS A 57 10.809 5.613 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.513 5.573 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.068 4.614 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.482 4.433 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.301 3.441 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.488 2.248 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.026 3.538 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.990 2.085 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.396 3.046 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.891 0.690 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.033 1.364 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.670 0.433 -0.478 1.00 0.00 H new ATOM 823 N VAL A 58 9.308 7.354 0.395 1.00 0.00 N ATOM 824 CA VAL A 58 8.346 8.278 0.983 1.00 0.00 C ATOM 825 C VAL A 58 6.996 7.603 1.196 1.00 0.00 C ATOM 826 O VAL A 58 6.237 7.976 2.091 1.00 0.00 O ATOM 827 CB VAL A 58 8.151 9.523 0.098 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.451 10.305 -0.017 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.635 9.125 -1.276 1.00 0.00 C ATOM 0 H VAL A 58 9.004 6.930 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 58 8.751 8.586 1.947 1.00 0.00 H new ATOM 0 HB VAL A 58 7.407 10.168 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.294 11.181 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.773 10.623 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.218 9.672 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.503 10.017 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.353 8.459 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.679 8.613 -1.171 1.00 0.00 H new ATOM 839 N PHE A 59 6.701 6.606 0.368 1.00 0.00 N ATOM 840 CA PHE A 59 5.442 5.878 0.465 1.00 0.00 C ATOM 841 C PHE A 59 5.690 4.389 0.693 1.00 0.00 C ATOM 842 O PHE A 59 6.446 3.757 -0.043 1.00 0.00 O ATOM 843 CB PHE A 59 4.612 6.080 -0.804 1.00 0.00 C ATOM 844 CG PHE A 59 3.984 7.441 -0.900 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.028 7.843 0.019 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.349 8.317 -1.909 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.448 9.095 -0.065 1.00 0.00 C ATOM 848 CE2 PHE A 59 3.772 9.571 -1.998 1.00 0.00 C ATOM 849 CZ PHE A 59 2.820 9.959 -1.076 1.00 0.00 C ATOM 0 H PHE A 59 7.318 6.284 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 59 4.889 6.271 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.249 5.920 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.828 5.324 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.732 7.170 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.092 8.018 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.705 9.397 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.066 10.246 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.367 10.937 -1.146 1.00 0.00 H new ATOM 859 N GLN A 60 5.047 3.839 1.718 1.00 0.00 N ATOM 860 CA GLN A 60 5.199 2.425 2.043 1.00 0.00 C ATOM 861 C GLN A 60 3.851 1.712 2.014 1.00 0.00 C ATOM 862 O GLN A 60 2.808 2.324 2.245 1.00 0.00 O ATOM 863 CB GLN A 60 5.845 2.264 3.420 1.00 0.00 C ATOM 864 CG GLN A 60 5.843 0.832 3.929 1.00 0.00 C ATOM 865 CD GLN A 60 6.466 0.700 5.305 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.430 1.634 6.107 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.041 -0.463 5.586 1.00 0.00 N ATOM 0 H GLN A 60 4.417 4.350 2.337 1.00 0.00 H new ATOM 0 HA GLN A 60 5.845 1.972 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.873 2.623 3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.318 2.896 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.818 0.464 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.386 0.200 3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.048 -1.210 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.476 -0.610 6.497 1.00 0.00 H new ATOM 876 N VAL A 61 3.880 0.414 1.729 1.00 0.00 N ATOM 877 CA VAL A 61 2.660 -0.383 1.671 1.00 0.00 C ATOM 878 C VAL A 61 2.813 -1.680 2.458 1.00 0.00 C ATOM 879 O VAL A 61 3.878 -2.298 2.458 1.00 0.00 O ATOM 880 CB VAL A 61 2.279 -0.720 0.217 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.945 -1.449 0.170 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.234 0.544 -0.628 1.00 0.00 C ATOM 0 H VAL A 61 4.735 -0.108 1.535 1.00 0.00 H new ATOM 0 HA VAL A 61 1.868 0.218 2.117 1.00 0.00 H new ATOM 0 HB VAL A 61 3.042 -1.380 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.692 -1.679 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.016 -2.375 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.169 -0.816 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.963 0.288 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.493 1.230 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.214 1.022 -0.620 1.00 0.00 H new ATOM 892 N LYS A 62 1.741 -2.087 3.129 1.00 0.00 N ATOM 893 CA LYS A 62 1.754 -3.312 3.920 1.00 0.00 C ATOM 894 C LYS A 62 0.464 -4.102 3.721 1.00 0.00 C ATOM 895 O LYS A 62 -0.601 -3.525 3.497 1.00 0.00 O ATOM 896 CB LYS A 62 1.939 -2.984 5.403 1.00 0.00 C ATOM 897 CG LYS A 62 1.741 -4.179 6.320 1.00 0.00 C ATOM 898 CD LYS A 62 2.882 -5.175 6.191 1.00 0.00 C ATOM 899 CE LYS A 62 2.533 -6.508 6.835 1.00 0.00 C ATOM 900 NZ LYS A 62 2.901 -6.540 8.278 1.00 0.00 N ATOM 0 H LYS A 62 0.852 -1.587 3.141 1.00 0.00 H new ATOM 0 HA LYS A 62 2.590 -3.924 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.941 -2.582 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.235 -2.201 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.669 -3.838 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.798 -4.671 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.115 -5.329 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.778 -4.767 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.464 -6.694 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.050 -7.311 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.647 -7.465 8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.925 -6.388 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.388 -5.790 8.784 1.00 0.00 H new ATOM 914 N VAL A 63 0.566 -5.425 3.804 1.00 0.00 N ATOM 915 CA VAL A 63 -0.593 -6.293 3.635 1.00 0.00 C ATOM 916 C VAL A 63 -0.778 -7.203 4.844 1.00 0.00 C ATOM 917 O VAL A 63 0.153 -7.890 5.266 1.00 0.00 O ATOM 918 CB VAL A 63 -0.464 -7.160 2.368 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.524 -8.251 2.359 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.565 -6.297 1.120 1.00 0.00 C ATOM 0 H VAL A 63 1.440 -5.919 3.987 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.463 -5.645 3.535 1.00 0.00 H new ATOM 0 HB VAL A 63 0.516 -7.638 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.418 -8.854 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.400 -8.886 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.514 -7.796 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.472 -6.926 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.530 -5.790 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.234 -5.556 1.125 1.00 0.00 H new ATOM 930 N SER A 64 -1.986 -7.205 5.397 1.00 0.00 N ATOM 931 CA SER A 64 -2.294 -8.028 6.561 1.00 0.00 C ATOM 932 C SER A 64 -3.706 -8.598 6.465 1.00 0.00 C ATOM 933 O SER A 64 -4.559 -8.057 5.763 1.00 0.00 O ATOM 934 CB SER A 64 -2.148 -7.209 7.845 1.00 0.00 C ATOM 935 OG SER A 64 -2.835 -7.824 8.922 1.00 0.00 O ATOM 0 H SER A 64 -2.768 -6.646 5.058 1.00 0.00 H new ATOM 0 HA SER A 64 -1.587 -8.857 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.092 -7.104 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.539 -6.204 7.686 1.00 0.00 H new ATOM 0 HG SER A 64 -2.725 -7.283 9.732 1.00 0.00 H new ATOM 941 N ALA A 65 -3.944 -9.696 7.176 1.00 0.00 N ATOM 942 CA ALA A 65 -5.251 -10.339 7.174 1.00 0.00 C ATOM 943 C ALA A 65 -6.116 -9.830 8.322 1.00 0.00 C ATOM 944 O ALA A 65 -5.824 -10.054 9.497 1.00 0.00 O ATOM 945 CB ALA A 65 -5.096 -11.850 7.257 1.00 0.00 C ATOM 0 H ALA A 65 -3.248 -10.158 7.761 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.751 -10.087 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.081 -12.317 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.524 -12.205 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.572 -12.112 8.176 1.00 0.00 H new ATOM 951 N PRO A 66 -7.205 -9.127 7.978 1.00 0.00 N ATOM 952 CA PRO A 66 -8.134 -8.571 8.966 1.00 0.00 C ATOM 953 C PRO A 66 -8.938 -9.653 9.679 1.00 0.00 C ATOM 954 O PRO A 66 -9.040 -9.656 10.905 1.00 0.00 O ATOM 955 CB PRO A 66 -9.058 -7.685 8.126 1.00 0.00 C ATOM 956 CG PRO A 66 -9.005 -8.273 6.758 1.00 0.00 C ATOM 957 CD PRO A 66 -7.614 -8.821 6.596 1.00 0.00 C ATOM 0 HA PRO A 66 -7.612 -8.035 9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.075 -7.688 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.720 -6.649 8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.750 -9.060 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.218 -7.519 6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.603 -9.711 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.947 -8.095 6.131 1.00 0.00 H new ATOM 965 N GLU A 67 -9.505 -10.571 8.903 1.00 0.00 N ATOM 966 CA GLU A 67 -10.300 -11.658 9.462 1.00 0.00 C ATOM 967 C GLU A 67 -9.423 -12.618 10.261 1.00 0.00 C ATOM 968 O GLU A 67 -9.576 -12.749 11.475 1.00 0.00 O ATOM 969 CB GLU A 67 -11.021 -12.418 8.347 1.00 0.00 C ATOM 970 CG GLU A 67 -12.090 -13.372 8.853 1.00 0.00 C ATOM 971 CD GLU A 67 -13.192 -12.662 9.615 1.00 0.00 C ATOM 972 OE1 GLU A 67 -13.045 -12.484 10.842 1.00 0.00 O ATOM 973 OE2 GLU A 67 -14.202 -12.286 8.984 1.00 0.00 O ATOM 0 H GLU A 67 -9.429 -10.584 7.886 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.040 -11.224 10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.479 -11.700 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.288 -12.981 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.524 -13.907 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.629 -14.118 9.500 1.00 0.00 H new ATOM 980 N GLU A 68 -8.505 -13.287 9.570 1.00 0.00 N ATOM 981 CA GLU A 68 -7.605 -14.235 10.215 1.00 0.00 C ATOM 982 C GLU A 68 -6.328 -13.543 10.682 1.00 0.00 C ATOM 983 O GLU A 68 -6.052 -12.406 10.300 1.00 0.00 O ATOM 984 CB GLU A 68 -7.258 -15.376 9.257 1.00 0.00 C ATOM 985 CG GLU A 68 -6.266 -14.983 8.176 1.00 0.00 C ATOM 986 CD GLU A 68 -5.806 -16.166 7.347 1.00 0.00 C ATOM 987 OE1 GLU A 68 -5.486 -17.217 7.940 1.00 0.00 O ATOM 988 OE2 GLU A 68 -5.767 -16.042 6.105 1.00 0.00 O ATOM 0 H GLU A 68 -8.365 -13.190 8.564 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.115 -14.644 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.848 -16.208 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.173 -15.734 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.723 -14.241 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.400 -14.509 8.638 1.00 0.00 H new ATOM 995 N GLN A 69 -5.554 -14.236 11.510 1.00 0.00 N ATOM 996 CA GLN A 69 -4.307 -13.688 12.030 1.00 0.00 C ATOM 997 C GLN A 69 -3.450 -13.120 10.903 1.00 0.00 C ATOM 998 O GLN A 69 -3.744 -13.322 9.724 1.00 0.00 O ATOM 999 CB GLN A 69 -3.527 -14.764 12.787 1.00 0.00 C ATOM 1000 CG GLN A 69 -3.877 -14.844 14.264 1.00 0.00 C ATOM 1001 CD GLN A 69 -5.281 -15.362 14.504 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -6.229 -14.585 14.627 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -5.422 -16.680 14.573 1.00 0.00 N ATOM 0 H GLN A 69 -5.768 -15.179 11.835 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.555 -12.879 12.717 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.718 -15.732 12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.460 -14.567 12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.163 -15.495 14.768 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.777 -13.855 14.711 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.609 -17.286 14.465 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.344 -17.087 14.734 1.00 0.00 H new ATOM 1012 N PHE A 70 -2.390 -12.409 11.272 1.00 0.00 N ATOM 1013 CA PHE A 70 -1.491 -11.811 10.292 1.00 0.00 C ATOM 1014 C PHE A 70 -1.180 -12.795 9.168 1.00 0.00 C ATOM 1015 O PHE A 70 -1.419 -13.997 9.294 1.00 0.00 O ATOM 1016 CB PHE A 70 -0.193 -11.363 10.966 1.00 0.00 C ATOM 1017 CG PHE A 70 0.796 -12.476 11.162 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.582 -13.451 12.123 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.941 -12.548 10.385 1.00 0.00 C ATOM 1020 CE1 PHE A 70 1.490 -14.477 12.305 1.00 0.00 C ATOM 1021 CE2 PHE A 70 2.853 -13.572 10.562 1.00 0.00 C ATOM 1022 CZ PHE A 70 2.627 -14.537 11.524 1.00 0.00 C ATOM 0 H PHE A 70 -2.132 -12.233 12.243 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.988 -10.941 9.863 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.268 -10.580 10.364 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.429 -10.923 11.935 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.305 -13.409 12.737 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.123 -11.795 9.632 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.310 -15.231 13.057 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.741 -13.617 9.949 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.338 -15.337 11.665 1.00 0.00 H new ATOM 1032 N THR A 71 -0.647 -12.276 8.066 1.00 0.00 N ATOM 1033 CA THR A 71 -0.305 -13.107 6.919 1.00 0.00 C ATOM 1034 C THR A 71 1.122 -12.840 6.452 1.00 0.00 C ATOM 1035 O THR A 71 1.696 -11.792 6.748 1.00 0.00 O ATOM 1036 CB THR A 71 -1.270 -12.866 5.743 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.900 -13.686 4.629 1.00 0.00 O ATOM 1038 CG2 THR A 71 -1.263 -11.403 5.328 1.00 0.00 C ATOM 0 H THR A 71 -0.443 -11.284 7.944 1.00 0.00 H new ATOM 0 HA THR A 71 -0.391 -14.144 7.244 1.00 0.00 H new ATOM 0 HB THR A 71 -2.276 -13.130 6.068 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.520 -13.528 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.952 -11.258 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.575 -10.785 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.257 -11.117 5.020 1.00 0.00 H new ATOM 1046 N ARG A 72 1.689 -13.794 5.721 1.00 0.00 N ATOM 1047 CA ARG A 72 3.050 -13.661 5.215 1.00 0.00 C ATOM 1048 C ARG A 72 3.052 -13.047 3.818 1.00 0.00 C ATOM 1049 O ARG A 72 2.743 -13.718 2.833 1.00 0.00 O ATOM 1050 CB ARG A 72 3.741 -15.026 5.185 1.00 0.00 C ATOM 1051 CG ARG A 72 5.040 -15.033 4.396 1.00 0.00 C ATOM 1052 CD ARG A 72 6.158 -14.339 5.158 1.00 0.00 C ATOM 1053 NE ARG A 72 6.422 -14.978 6.445 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.347 -14.555 7.299 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.093 -13.499 7.005 1.00 0.00 N ATOM 1056 NH2 ARG A 72 7.528 -15.189 8.451 1.00 0.00 N ATOM 0 H ARG A 72 1.227 -14.667 5.466 1.00 0.00 H new ATOM 0 HA ARG A 72 3.598 -12.999 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.945 -15.343 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.060 -15.759 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.330 -16.061 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.888 -14.536 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.067 -14.347 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.892 -13.294 5.320 1.00 0.00 H new ATOM 0 HE ARG A 72 5.866 -15.793 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.957 -13.009 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.803 -13.177 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.956 -16.002 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.239 -14.863 9.106 1.00 0.00 H new ATOM 1070 N VAL A 73 3.402 -11.768 3.740 1.00 0.00 N ATOM 1071 CA VAL A 73 3.445 -11.063 2.464 1.00 0.00 C ATOM 1072 C VAL A 73 4.708 -10.216 2.347 1.00 0.00 C ATOM 1073 O VAL A 73 5.056 -9.472 3.262 1.00 0.00 O ATOM 1074 CB VAL A 73 2.213 -10.157 2.282 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.299 -9.398 0.966 1.00 0.00 C ATOM 1076 CG2 VAL A 73 0.934 -10.977 2.352 1.00 0.00 C ATOM 0 H VAL A 73 3.660 -11.198 4.545 1.00 0.00 H new ATOM 0 HA VAL A 73 3.447 -11.822 1.682 1.00 0.00 H new ATOM 0 HB VAL A 73 2.195 -9.429 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.420 -8.763 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.197 -8.780 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.342 -10.107 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.073 -10.321 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.940 -11.729 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.870 -11.470 3.322 1.00 0.00 H new ATOM 1086 N GLY A 74 5.390 -10.334 1.212 1.00 0.00 N ATOM 1087 CA GLY A 74 6.606 -9.573 0.994 1.00 0.00 C ATOM 1088 C GLY A 74 6.396 -8.399 0.060 1.00 0.00 C ATOM 1089 O GLY A 74 6.706 -8.479 -1.129 1.00 0.00 O ATOM 0 H GLY A 74 5.122 -10.943 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.980 -9.209 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.372 -10.229 0.581 1.00 0.00 H new ATOM 1093 N VAL A 75 5.866 -7.304 0.597 1.00 0.00 N ATOM 1094 CA VAL A 75 5.614 -6.108 -0.198 1.00 0.00 C ATOM 1095 C VAL A 75 6.914 -5.386 -0.531 1.00 0.00 C ATOM 1096 O VAL A 75 7.879 -5.442 0.230 1.00 0.00 O ATOM 1097 CB VAL A 75 4.673 -5.135 0.537 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.620 -3.797 -0.185 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.282 -5.735 0.667 1.00 0.00 C ATOM 0 H VAL A 75 5.603 -7.221 1.579 1.00 0.00 H new ATOM 0 HA VAL A 75 5.137 -6.436 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 75 5.065 -4.965 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.950 -3.122 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.619 -3.363 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.252 -3.946 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.631 -5.034 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.878 -5.936 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.339 -6.666 1.231 1.00 0.00 H new ATOM 1109 N GLN A 76 6.932 -4.708 -1.675 1.00 0.00 N ATOM 1110 CA GLN A 76 8.115 -3.975 -2.109 1.00 0.00 C ATOM 1111 C GLN A 76 7.724 -2.693 -2.838 1.00 0.00 C ATOM 1112 O GLN A 76 6.784 -2.681 -3.632 1.00 0.00 O ATOM 1113 CB GLN A 76 8.978 -4.850 -3.020 1.00 0.00 C ATOM 1114 CG GLN A 76 10.317 -4.225 -3.374 1.00 0.00 C ATOM 1115 CD GLN A 76 11.226 -4.073 -2.170 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.240 -4.920 -1.277 1.00 0.00 O ATOM 1117 NE2 GLN A 76 11.992 -2.989 -2.140 1.00 0.00 N ATOM 0 H GLN A 76 6.141 -4.652 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 76 8.690 -3.707 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.152 -5.808 -2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.429 -5.056 -3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.814 -4.840 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.149 -3.246 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.948 -2.312 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.624 -2.833 -1.355 1.00 0.00 H new ATOM 1126 N VAL A 77 8.451 -1.615 -2.561 1.00 0.00 N ATOM 1127 CA VAL A 77 8.180 -0.328 -3.190 1.00 0.00 C ATOM 1128 C VAL A 77 9.387 0.160 -3.984 1.00 0.00 C ATOM 1129 O VAL A 77 10.371 0.631 -3.411 1.00 0.00 O ATOM 1130 CB VAL A 77 7.800 0.738 -2.146 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.649 2.101 -2.805 1.00 0.00 C ATOM 1132 CG2 VAL A 77 6.523 0.342 -1.421 1.00 0.00 C ATOM 0 H VAL A 77 9.232 -1.608 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 77 7.339 -0.477 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 77 8.602 0.804 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.380 2.842 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.591 2.385 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.867 2.054 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.269 1.107 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.710 0.247 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.673 -0.612 -0.915 1.00 0.00 H new ATOM 1142 N LEU A 78 9.306 0.045 -5.305 1.00 0.00 N ATOM 1143 CA LEU A 78 10.392 0.476 -6.178 1.00 0.00 C ATOM 1144 C LEU A 78 9.999 1.725 -6.960 1.00 0.00 C ATOM 1145 O LEU A 78 8.928 1.781 -7.563 1.00 0.00 O ATOM 1146 CB LEU A 78 10.769 -0.647 -7.146 1.00 0.00 C ATOM 1147 CG LEU A 78 12.185 -0.589 -7.722 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.469 0.787 -8.303 1.00 0.00 C ATOM 1149 CD2 LEU A 78 13.210 -0.941 -6.654 1.00 0.00 C ATOM 0 H LEU A 78 8.500 -0.343 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 78 11.253 0.716 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.646 -1.600 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.061 -0.639 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 78 12.260 -1.322 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.481 0.809 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.755 1.001 -9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.375 1.539 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.212 -0.895 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.134 -0.232 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.019 -1.949 -6.285 1.00 0.00 H new ATOM 1161 N ASP A 79 10.874 2.725 -6.945 1.00 0.00 N ATOM 1162 CA ASP A 79 10.621 3.973 -7.654 1.00 0.00 C ATOM 1163 C ASP A 79 10.849 3.803 -9.153 1.00 0.00 C ATOM 1164 O ASP A 79 11.975 3.580 -9.598 1.00 0.00 O ATOM 1165 CB ASP A 79 11.521 5.085 -7.112 1.00 0.00 C ATOM 1166 CG ASP A 79 11.339 6.393 -7.857 1.00 0.00 C ATOM 1167 OD1 ASP A 79 10.209 6.661 -8.318 1.00 0.00 O ATOM 1168 OD2 ASP A 79 12.326 7.148 -7.979 1.00 0.00 O ATOM 0 H ASP A 79 11.765 2.695 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 79 9.579 4.248 -7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.306 5.240 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.563 4.772 -7.183 1.00 0.00 H new ATOM 1173 N ARG A 80 9.773 3.907 -9.926 1.00 0.00 N ATOM 1174 CA ARG A 80 9.856 3.761 -11.374 1.00 0.00 C ATOM 1175 C ARG A 80 9.738 5.117 -12.064 1.00 0.00 C ATOM 1176 O ARG A 80 10.648 5.547 -12.774 1.00 0.00 O ATOM 1177 CB ARG A 80 8.757 2.824 -11.878 1.00 0.00 C ATOM 1178 CG ARG A 80 9.007 1.361 -11.550 1.00 0.00 C ATOM 1179 CD ARG A 80 8.369 0.442 -12.580 1.00 0.00 C ATOM 1180 NE ARG A 80 6.982 0.806 -12.854 1.00 0.00 N ATOM 1181 CZ ARG A 80 6.223 0.187 -13.751 1.00 0.00 C ATOM 1182 NH1 ARG A 80 6.715 -0.823 -14.456 1.00 0.00 N ATOM 1183 NH2 ARG A 80 4.969 0.576 -13.944 1.00 0.00 N ATOM 0 H ARG A 80 8.834 4.092 -9.574 1.00 0.00 H new ATOM 0 HA ARG A 80 10.829 3.332 -11.615 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.805 3.128 -11.443 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.664 2.935 -12.958 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.080 1.174 -11.510 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.607 1.135 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.943 0.481 -13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.410 -0.587 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 80 6.573 1.578 -12.328 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.678 -1.126 -14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.130 -1.297 -15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.587 1.352 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.388 0.099 -14.633 1.00 0.00 H new ATOM 1197 N LYS A 81 8.610 5.787 -11.852 1.00 0.00 N ATOM 1198 CA LYS A 81 8.371 7.095 -12.452 1.00 0.00 C ATOM 1199 C LYS A 81 8.779 8.213 -11.498 1.00 0.00 C ATOM 1200 O LYS A 81 9.223 7.957 -10.379 1.00 0.00 O ATOM 1201 CB LYS A 81 6.896 7.244 -12.830 1.00 0.00 C ATOM 1202 CG LYS A 81 6.575 6.756 -14.232 1.00 0.00 C ATOM 1203 CD LYS A 81 5.288 7.371 -14.755 1.00 0.00 C ATOM 1204 CE LYS A 81 4.665 6.515 -15.848 1.00 0.00 C ATOM 1205 NZ LYS A 81 3.219 6.819 -16.034 1.00 0.00 N ATOM 0 H LYS A 81 7.846 5.445 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 81 8.979 7.171 -13.353 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.288 6.691 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.612 8.293 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.397 7.006 -14.902 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.485 5.670 -14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.580 7.488 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.492 8.368 -15.144 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.195 6.682 -16.786 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.785 5.461 -15.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.831 6.215 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.709 6.636 -15.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.106 7.818 -16.299 1.00 0.00 H new ATOM 1219 N ASP A 82 8.623 9.454 -11.948 1.00 0.00 N ATOM 1220 CA ASP A 82 8.972 10.612 -11.133 1.00 0.00 C ATOM 1221 C ASP A 82 8.009 10.760 -9.959 1.00 0.00 C ATOM 1222 O ASP A 82 8.390 10.574 -8.804 1.00 0.00 O ATOM 1223 CB ASP A 82 8.958 11.883 -11.984 1.00 0.00 C ATOM 1224 CG ASP A 82 9.636 11.688 -13.326 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.882 11.633 -13.359 1.00 0.00 O ATOM 1226 OD2 ASP A 82 8.918 11.593 -14.344 1.00 0.00 O ATOM 0 H ASP A 82 8.257 9.683 -12.872 1.00 0.00 H new ATOM 0 HA ASP A 82 9.976 10.459 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.927 12.199 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.457 12.686 -11.441 1.00 0.00 H new ATOM 1231 N GLY A 83 6.760 11.097 -10.264 1.00 0.00 N ATOM 1232 CA GLY A 83 5.762 11.267 -9.223 1.00 0.00 C ATOM 1233 C GLY A 83 4.861 10.056 -9.082 1.00 0.00 C ATOM 1234 O GLY A 83 3.738 10.164 -8.588 1.00 0.00 O ATOM 0 H GLY A 83 6.421 11.255 -11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.261 11.458 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.155 12.144 -9.446 1.00 0.00 H new ATOM 1238 N SER A 84 5.352 8.900 -9.518 1.00 0.00 N ATOM 1239 CA SER A 84 4.580 7.665 -9.443 1.00 0.00 C ATOM 1240 C SER A 84 5.461 6.500 -9.004 1.00 0.00 C ATOM 1241 O SER A 84 6.621 6.398 -9.404 1.00 0.00 O ATOM 1242 CB SER A 84 3.942 7.354 -10.799 1.00 0.00 C ATOM 1243 OG SER A 84 2.721 8.054 -10.960 1.00 0.00 O ATOM 0 H SER A 84 6.280 8.793 -9.927 1.00 0.00 H new ATOM 0 HA SER A 84 3.793 7.802 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.630 7.627 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.764 6.282 -10.884 1.00 0.00 H new ATOM 0 HG SER A 84 2.334 7.840 -11.835 1.00 0.00 H new ATOM 1249 N PHE A 85 4.902 5.623 -8.177 1.00 0.00 N ATOM 1250 CA PHE A 85 5.636 4.464 -7.681 1.00 0.00 C ATOM 1251 C PHE A 85 4.877 3.173 -7.973 1.00 0.00 C ATOM 1252 O PHE A 85 3.693 3.201 -8.312 1.00 0.00 O ATOM 1253 CB PHE A 85 5.882 4.596 -6.177 1.00 0.00 C ATOM 1254 CG PHE A 85 6.972 5.570 -5.830 1.00 0.00 C ATOM 1255 CD1 PHE A 85 6.815 6.924 -6.081 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.153 5.132 -5.253 1.00 0.00 C ATOM 1257 CE1 PHE A 85 7.816 7.822 -5.764 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.158 6.026 -4.934 1.00 0.00 C ATOM 1259 CZ PHE A 85 8.989 7.373 -5.189 1.00 0.00 C ATOM 0 H PHE A 85 3.943 5.692 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 85 6.595 4.424 -8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.958 4.910 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.138 3.617 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.900 7.281 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.290 4.080 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.681 8.874 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.074 5.672 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.772 8.074 -4.939 1.00 0.00 H new ATOM 1269 N ILE A 86 5.566 2.045 -7.838 1.00 0.00 N ATOM 1270 CA ILE A 86 4.957 0.745 -8.087 1.00 0.00 C ATOM 1271 C ILE A 86 5.113 -0.175 -6.880 1.00 0.00 C ATOM 1272 O ILE A 86 6.216 -0.363 -6.368 1.00 0.00 O ATOM 1273 CB ILE A 86 5.573 0.061 -9.321 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.702 -1.115 -9.768 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.988 -0.407 -9.017 1.00 0.00 C ATOM 1276 CD1 ILE A 86 5.169 -1.758 -11.055 1.00 0.00 C ATOM 0 H ILE A 86 6.546 2.005 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 86 3.898 0.923 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 86 5.618 0.785 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.689 -1.867 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.676 -0.769 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.409 -0.888 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.603 0.450 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.967 -1.118 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.505 -2.584 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.155 -1.019 -11.857 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.184 -2.135 -10.926 1.00 0.00 H new ATOM 1288 N VAL A 87 4.000 -0.746 -6.431 1.00 0.00 N ATOM 1289 CA VAL A 87 4.012 -1.649 -5.286 1.00 0.00 C ATOM 1290 C VAL A 87 3.822 -3.096 -5.725 1.00 0.00 C ATOM 1291 O VAL A 87 2.842 -3.430 -6.391 1.00 0.00 O ATOM 1292 CB VAL A 87 2.913 -1.283 -4.271 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.960 -2.219 -3.073 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.056 0.166 -3.831 1.00 0.00 C ATOM 0 H VAL A 87 3.078 -0.599 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 87 4.986 -1.542 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 87 1.943 -1.398 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.176 -1.945 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.805 -3.245 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.932 -2.138 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.271 0.408 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.031 0.310 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.969 0.820 -4.699 1.00 0.00 H new ATOM 1304 N ARG A 88 4.766 -3.953 -5.347 1.00 0.00 N ATOM 1305 CA ARG A 88 4.702 -5.365 -5.703 1.00 0.00 C ATOM 1306 C ARG A 88 4.917 -6.245 -4.475 1.00 0.00 C ATOM 1307 O ARG A 88 5.835 -6.015 -3.687 1.00 0.00 O ATOM 1308 CB ARG A 88 5.751 -5.692 -6.768 1.00 0.00 C ATOM 1309 CG ARG A 88 5.497 -5.011 -8.102 1.00 0.00 C ATOM 1310 CD ARG A 88 6.792 -4.779 -8.864 1.00 0.00 C ATOM 1311 NE ARG A 88 7.129 -5.907 -9.729 1.00 0.00 N ATOM 1312 CZ ARG A 88 6.390 -6.284 -10.766 1.00 0.00 C ATOM 1313 NH1 ARG A 88 5.279 -5.625 -11.067 1.00 0.00 N ATOM 1314 NH2 ARG A 88 6.762 -7.321 -11.505 1.00 0.00 N ATOM 0 H ARG A 88 5.583 -3.694 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 88 3.710 -5.568 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.734 -5.397 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.778 -6.771 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.825 -5.624 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.996 -4.058 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.701 -3.875 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.604 -4.610 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 88 7.978 -6.434 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.990 -4.827 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.713 -5.917 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.616 -7.830 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.194 -7.610 -12.301 1.00 0.00 H new ATOM 1328 N TYR A 89 4.065 -7.252 -4.319 1.00 0.00 N ATOM 1329 CA TYR A 89 4.160 -8.165 -3.186 1.00 0.00 C ATOM 1330 C TYR A 89 3.932 -9.607 -3.628 1.00 0.00 C ATOM 1331 O TYR A 89 3.234 -9.865 -4.609 1.00 0.00 O ATOM 1332 CB TYR A 89 3.142 -7.782 -2.110 1.00 0.00 C ATOM 1333 CG TYR A 89 1.726 -8.196 -2.442 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.302 -9.506 -2.256 1.00 0.00 C ATOM 1335 CD2 TYR A 89 0.811 -7.276 -2.941 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.009 -9.888 -2.558 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.484 -7.649 -3.245 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.880 -8.956 -3.052 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.168 -9.333 -3.353 1.00 0.00 O ATOM 0 H TYR A 89 3.301 -7.457 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 89 5.165 -8.086 -2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.434 -8.241 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.171 -6.702 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.995 -10.238 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.118 -6.252 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.304 -10.911 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.182 -6.921 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.666 -8.558 -3.689 1.00 0.00 H new ATOM 1349 N ARG A 90 4.525 -10.544 -2.895 1.00 0.00 N ATOM 1350 CA ARG A 90 4.389 -11.961 -3.210 1.00 0.00 C ATOM 1351 C ARG A 90 3.395 -12.634 -2.268 1.00 0.00 C ATOM 1352 O ARG A 90 3.152 -12.154 -1.161 1.00 0.00 O ATOM 1353 CB ARG A 90 5.747 -12.659 -3.119 1.00 0.00 C ATOM 1354 CG ARG A 90 6.800 -12.064 -4.040 1.00 0.00 C ATOM 1355 CD ARG A 90 8.170 -12.673 -3.787 1.00 0.00 C ATOM 1356 NE ARG A 90 9.250 -11.790 -4.218 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.573 -11.592 -5.491 1.00 0.00 C ATOM 1358 NH1 ARG A 90 8.903 -12.210 -6.453 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.569 -10.773 -5.804 1.00 0.00 N ATOM 0 H ARG A 90 5.104 -10.347 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 90 4.013 -12.046 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.105 -12.607 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.620 -13.715 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.513 -12.231 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.847 -10.985 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.280 -12.888 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.247 -13.624 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 90 9.786 -11.298 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.136 -12.840 -6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.154 -12.055 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.087 -10.295 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.817 -10.621 -6.782 1.00 0.00 H new ATOM 1373 N MET A 91 2.824 -13.747 -2.716 1.00 0.00 N ATOM 1374 CA MET A 91 1.857 -14.486 -1.912 1.00 0.00 C ATOM 1375 C MET A 91 2.150 -15.983 -1.950 1.00 0.00 C ATOM 1376 O MET A 91 2.262 -16.577 -3.023 1.00 0.00 O ATOM 1377 CB MET A 91 0.436 -14.220 -2.412 1.00 0.00 C ATOM 1378 CG MET A 91 -0.638 -14.907 -1.585 1.00 0.00 C ATOM 1379 SD MET A 91 -2.304 -14.401 -2.052 1.00 0.00 S ATOM 1380 CE MET A 91 -2.967 -13.910 -0.462 1.00 0.00 C ATOM 0 H MET A 91 3.014 -14.157 -3.631 1.00 0.00 H new ATOM 0 HA MET A 91 1.941 -14.143 -0.881 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.254 -13.145 -2.409 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.355 -14.554 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.545 -15.987 -1.700 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.477 -14.684 -0.530 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.043 -13.758 -0.548 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.768 -14.691 0.272 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.494 -12.982 -0.142 1.00 0.00 H new ATOM 1390 N TYR A 92 2.274 -16.587 -0.773 1.00 0.00 N ATOM 1391 CA TYR A 92 2.557 -18.013 -0.672 1.00 0.00 C ATOM 1392 C TYR A 92 1.500 -18.720 0.171 1.00 0.00 C ATOM 1393 O TYR A 92 1.780 -19.725 0.824 1.00 0.00 O ATOM 1394 CB TYR A 92 3.943 -18.238 -0.066 1.00 0.00 C ATOM 1395 CG TYR A 92 5.071 -17.701 -0.917 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.292 -16.334 -1.030 1.00 0.00 C ATOM 1397 CD2 TYR A 92 5.914 -18.560 -1.610 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.321 -15.838 -1.807 1.00 0.00 C ATOM 1399 CE2 TYR A 92 6.947 -18.074 -2.389 1.00 0.00 C ATOM 1400 CZ TYR A 92 7.146 -16.712 -2.484 1.00 0.00 C ATOM 1401 OH TYR A 92 8.172 -16.224 -3.260 1.00 0.00 O ATOM 0 H TYR A 92 2.183 -16.111 0.124 1.00 0.00 H new ATOM 0 HA TYR A 92 2.535 -18.434 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.982 -17.765 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.093 -19.306 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.648 -15.647 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.760 -19.627 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.479 -14.772 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.594 -18.756 -2.920 1.00 0.00 H new ATOM 0 HH TYR A 92 8.658 -16.971 -3.667 1.00 0.00 H new ATOM 1411 N ALA A 93 0.283 -18.187 0.151 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.818 -18.766 0.911 1.00 0.00 C ATOM 1413 C ALA A 93 -2.155 -18.505 0.226 1.00 0.00 C ATOM 1414 O ALA A 93 -2.209 -17.881 -0.834 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.831 -18.211 2.327 1.00 0.00 C ATOM 0 H ALA A 93 0.034 -17.355 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.668 -19.845 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.658 -18.652 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.109 -18.454 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.953 -17.128 2.292 1.00 0.00 H new ATOM 1421 N SER A 94 -3.232 -18.987 0.838 1.00 0.00 N ATOM 1422 CA SER A 94 -4.570 -18.809 0.284 1.00 0.00 C ATOM 1423 C SER A 94 -5.007 -17.350 0.378 1.00 0.00 C ATOM 1424 O SER A 94 -4.455 -16.574 1.158 1.00 0.00 O ATOM 1425 CB SER A 94 -5.572 -19.702 1.019 1.00 0.00 C ATOM 1426 OG SER A 94 -5.161 -21.058 0.993 1.00 0.00 O ATOM 0 H SER A 94 -3.205 -19.504 1.717 1.00 0.00 H new ATOM 0 HA SER A 94 -4.542 -19.095 -0.767 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.672 -19.369 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.555 -19.608 0.557 1.00 0.00 H new ATOM 0 HG SER A 94 -5.817 -21.608 1.471 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.001 -16.985 -0.424 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.512 -15.620 -0.434 1.00 0.00 C ATOM 1434 C TYR A 95 -7.850 -15.533 0.293 1.00 0.00 C ATOM 1435 O TYR A 95 -8.912 -15.672 -0.315 1.00 0.00 O ATOM 1436 CB TYR A 95 -6.668 -15.122 -1.872 1.00 0.00 C ATOM 1437 CG TYR A 95 -6.804 -13.620 -1.982 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -7.915 -12.964 -1.466 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.822 -12.857 -2.601 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -8.044 -11.593 -1.565 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -5.942 -11.485 -2.703 1.00 0.00 C ATOM 1442 CZ TYR A 95 -7.055 -10.857 -2.184 1.00 0.00 C ATOM 1443 OH TYR A 95 -7.179 -9.490 -2.283 1.00 0.00 O ATOM 0 H TYR A 95 -6.469 -17.615 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.794 -14.987 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.805 -15.444 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.546 -15.591 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.691 -13.536 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.950 -13.345 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.915 -11.099 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.168 -10.907 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.020 -9.207 -1.866 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.792 -15.301 1.600 1.00 0.00 N ATOM 1454 CA LYS A 96 -8.997 -15.193 2.413 1.00 0.00 C ATOM 1455 C LYS A 96 -9.388 -13.733 2.616 1.00 0.00 C ATOM 1456 O LYS A 96 -10.489 -13.320 2.256 1.00 0.00 O ATOM 1457 CB LYS A 96 -8.784 -15.868 3.770 1.00 0.00 C ATOM 1458 CG LYS A 96 -9.006 -17.371 3.743 1.00 0.00 C ATOM 1459 CD LYS A 96 -8.382 -18.048 4.953 1.00 0.00 C ATOM 1460 CE LYS A 96 -9.275 -17.930 6.179 1.00 0.00 C ATOM 1461 NZ LYS A 96 -10.501 -18.766 6.054 1.00 0.00 N ATOM 0 H LYS A 96 -6.922 -15.184 2.119 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.807 -15.698 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.769 -15.665 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.461 -15.422 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.075 -17.582 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.578 -17.787 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.204 -19.100 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.412 -17.598 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.717 -18.233 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.559 -16.888 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.923 -18.906 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.186 -18.288 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.251 -19.689 5.646 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.477 -12.956 3.193 1.00 0.00 N ATOM 1476 CA ASN A 97 -8.727 -11.541 3.442 1.00 0.00 C ATOM 1477 C ASN A 97 -7.463 -10.717 3.214 1.00 0.00 C ATOM 1478 O ASN A 97 -6.434 -10.948 3.851 1.00 0.00 O ATOM 1479 CB ASN A 97 -9.231 -11.335 4.872 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.358 -12.285 5.230 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -11.534 -11.927 5.158 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -10.002 -13.504 5.619 1.00 0.00 N ATOM 0 H ASN A 97 -7.560 -13.282 3.497 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.491 -11.204 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.405 -11.476 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.575 -10.307 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.716 -14.187 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.015 -13.757 5.664 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.548 -9.755 2.301 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.411 -8.896 1.988 1.00 0.00 C ATOM 1491 C LEU A 98 -6.700 -7.449 2.377 1.00 0.00 C ATOM 1492 O LEU A 98 -7.615 -6.822 1.844 1.00 0.00 O ATOM 1493 CB LEU A 98 -6.080 -8.979 0.497 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.995 -9.982 0.106 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.613 -9.414 0.391 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -5.195 -11.298 0.843 1.00 0.00 C ATOM 0 H LEU A 98 -8.391 -9.551 1.765 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.554 -9.244 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.992 -9.231 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.772 -7.990 0.158 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.073 -10.172 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.854 -10.143 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.470 -8.498 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.523 -9.193 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.414 -12.000 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.145 -11.124 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.170 -11.714 0.587 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.911 -6.924 3.309 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.078 -5.550 3.768 1.00 0.00 C ATOM 1510 C LYS A 99 -4.903 -4.683 3.327 1.00 0.00 C ATOM 1511 O LYS A 99 -3.770 -4.886 3.765 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.211 -5.513 5.292 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.282 -4.106 5.861 1.00 0.00 C ATOM 1514 CD LYS A 99 -5.725 -4.048 7.274 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.498 -4.958 8.216 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.642 -4.250 8.856 1.00 0.00 N ATOM 0 H LYS A 99 -5.149 -7.430 3.761 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.988 -5.151 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.108 -6.060 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.362 -6.033 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.723 -3.425 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.317 -3.765 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.675 -4.340 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.767 -3.023 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.868 -5.822 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.827 -5.336 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.457 -4.140 9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.757 -3.312 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.512 -4.803 8.721 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.180 -3.715 2.460 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.146 -2.815 1.963 1.00 0.00 C ATOM 1532 C VAL A 100 -3.904 -1.665 2.935 1.00 0.00 C ATOM 1533 O VAL A 100 -4.847 -1.097 3.485 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.520 -2.237 0.585 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.356 -1.451 0.001 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.949 -3.350 -0.360 1.00 0.00 C ATOM 0 H VAL A 100 -6.112 -3.534 2.087 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.234 -3.404 1.867 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.360 -1.554 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.639 -1.051 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.099 -0.630 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.494 -2.108 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.210 -2.924 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.130 -4.058 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.815 -3.866 0.055 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.635 -1.329 3.141 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.270 -0.247 4.047 1.00 0.00 C ATOM 1548 C GLU A 101 -1.187 0.636 3.433 1.00 0.00 C ATOM 1549 O GLU A 101 -0.174 0.140 2.938 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.784 -0.813 5.383 1.00 0.00 C ATOM 1551 CG GLU A 101 -2.911 -1.233 6.312 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.407 -1.752 7.644 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.009 -2.935 7.707 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -2.409 -0.978 8.623 1.00 0.00 O ATOM 0 H GLU A 101 -1.843 -1.790 2.693 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.157 0.362 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.142 -1.673 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.171 -0.064 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.571 -0.383 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.507 -2.006 5.827 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.409 1.945 3.467 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.453 2.897 2.914 1.00 0.00 C ATOM 1563 C ILE A 102 -0.310 4.119 3.815 1.00 0.00 C ATOM 1564 O ILE A 102 -1.202 4.964 3.880 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.868 3.358 1.505 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.326 2.162 0.667 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.284 4.079 0.822 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.808 1.877 0.780 1.00 0.00 C ATOM 0 H ILE A 102 -2.243 2.371 3.872 1.00 0.00 H new ATOM 0 HA ILE A 102 0.505 2.381 2.851 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.702 4.054 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.078 2.345 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.769 1.277 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.026 4.398 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.568 4.951 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.136 3.405 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.061 1.017 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.059 1.662 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.372 2.746 0.443 1.00 0.00 H new ATOM 1580 N LYS A 103 0.820 4.206 4.509 1.00 0.00 N ATOM 1581 CA LYS A 103 1.084 5.326 5.405 1.00 0.00 C ATOM 1582 C LYS A 103 2.368 6.048 5.010 1.00 0.00 C ATOM 1583 O LYS A 103 3.127 5.569 4.167 1.00 0.00 O ATOM 1584 CB LYS A 103 1.186 4.835 6.851 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.069 4.138 7.347 1.00 0.00 C ATOM 1586 CD LYS A 103 0.254 3.090 8.400 1.00 0.00 C ATOM 1587 CE LYS A 103 0.610 1.754 7.766 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.552 0.972 8.613 1.00 0.00 N ATOM 0 H LYS A 103 1.568 3.514 4.468 1.00 0.00 H new ATOM 0 HA LYS A 103 0.254 6.028 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.029 4.149 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.400 5.684 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.755 4.875 7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.580 3.666 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.085 3.435 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.602 2.963 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.299 1.175 7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.058 1.924 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.770 0.068 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.430 1.513 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.115 0.787 9.538 1.00 0.00 H new ATOM 1602 N PHE A 104 2.606 7.201 5.626 1.00 0.00 N ATOM 1603 CA PHE A 104 3.799 7.989 5.338 1.00 0.00 C ATOM 1604 C PHE A 104 4.275 8.729 6.585 1.00 0.00 C ATOM 1605 O PHE A 104 3.535 9.520 7.170 1.00 0.00 O ATOM 1606 CB PHE A 104 3.518 8.989 4.214 1.00 0.00 C ATOM 1607 CG PHE A 104 4.521 10.104 4.139 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.879 9.835 4.180 1.00 0.00 C ATOM 1609 CD2 PHE A 104 4.105 11.421 4.026 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.806 10.859 4.110 1.00 0.00 C ATOM 1611 CE2 PHE A 104 5.027 12.448 3.955 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.378 12.167 3.999 1.00 0.00 C ATOM 0 H PHE A 104 1.989 7.610 6.327 1.00 0.00 H new ATOM 0 HA PHE A 104 4.586 7.306 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.504 8.459 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.524 9.414 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.218 8.813 4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.049 11.647 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.862 10.636 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.691 13.470 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.099 12.969 3.947 1.00 0.00 H new ATOM 1622 N GLN A 105 5.515 8.466 6.984 1.00 0.00 N ATOM 1623 CA GLN A 105 6.090 9.106 8.162 1.00 0.00 C ATOM 1624 C GLN A 105 5.107 9.083 9.328 1.00 0.00 C ATOM 1625 O GLN A 105 5.159 9.935 10.214 1.00 0.00 O ATOM 1626 CB GLN A 105 6.487 10.548 7.842 1.00 0.00 C ATOM 1627 CG GLN A 105 5.311 11.431 7.455 1.00 0.00 C ATOM 1628 CD GLN A 105 5.681 12.900 7.392 1.00 0.00 C ATOM 1629 OE1 GLN A 105 6.844 13.267 7.557 1.00 0.00 O ATOM 1630 NE2 GLN A 105 4.689 13.751 7.153 1.00 0.00 N ATOM 0 H GLN A 105 6.141 7.815 6.510 1.00 0.00 H new ATOM 0 HA GLN A 105 6.980 8.547 8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.985 10.980 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.212 10.544 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.928 11.115 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.505 11.294 8.176 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.739 13.403 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.877 14.752 7.100 1.00 0.00 H new ATOM 1639 N GLY A 106 4.210 8.102 9.321 1.00 0.00 N ATOM 1640 CA GLY A 106 3.227 7.987 10.383 1.00 0.00 C ATOM 1641 C GLY A 106 1.939 8.720 10.063 1.00 0.00 C ATOM 1642 O GLY A 106 1.274 9.238 10.959 1.00 0.00 O ATOM 0 H GLY A 106 4.146 7.385 8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.008 6.934 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.647 8.384 11.307 1.00 0.00 H new ATOM 1646 N GLN A 107 1.589 8.766 8.781 1.00 0.00 N ATOM 1647 CA GLN A 107 0.373 9.443 8.346 1.00 0.00 C ATOM 1648 C GLN A 107 -0.265 8.714 7.169 1.00 0.00 C ATOM 1649 O GLN A 107 0.388 8.457 6.157 1.00 0.00 O ATOM 1650 CB GLN A 107 0.682 10.891 7.958 1.00 0.00 C ATOM 1651 CG GLN A 107 1.040 11.774 9.142 1.00 0.00 C ATOM 1652 CD GLN A 107 1.876 12.974 8.743 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.418 13.848 8.006 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.111 13.023 9.229 1.00 0.00 N ATOM 0 H GLN A 107 2.130 8.343 8.027 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.332 9.439 9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.507 10.900 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.183 11.314 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.125 12.118 9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.586 11.184 9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.450 12.277 9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.720 13.807 8.995 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.545 8.382 7.308 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.271 7.682 6.254 1.00 0.00 C ATOM 1665 C HIS A 108 -2.473 8.584 5.041 1.00 0.00 C ATOM 1666 O HIS A 108 -2.744 9.777 5.180 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.625 7.198 6.775 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.577 5.833 7.390 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.396 4.682 6.654 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.686 5.440 8.681 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.397 3.638 7.465 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.571 4.071 8.701 1.00 0.00 N ATOM 0 H HIS A 108 -2.100 8.586 8.139 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.677 6.820 5.948 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.995 7.908 7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.340 7.192 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.835 6.083 9.536 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.276 2.607 7.168 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.613 3.484 9.534 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.338 8.007 3.851 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.506 8.759 2.613 1.00 0.00 C ATOM 1683 C VAL A 109 -3.916 8.598 2.059 1.00 0.00 C ATOM 1684 O VAL A 109 -4.468 9.520 1.459 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.491 8.313 1.544 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.655 9.136 0.275 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.071 8.420 2.079 1.00 0.00 C ATOM 0 H VAL A 109 -2.113 7.021 3.718 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.332 9.808 2.853 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.684 7.269 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.929 8.807 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.663 9.002 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.490 10.190 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.633 8.101 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.137 9.454 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.036 7.782 2.956 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.495 7.419 2.264 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.843 7.137 1.787 1.00 0.00 C ATOM 1699 C ALA A 110 -6.749 6.692 2.930 1.00 0.00 C ATOM 1700 O ALA A 110 -6.355 6.726 4.096 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.806 6.075 0.697 1.00 0.00 C ATOM 0 H ALA A 110 -4.051 6.644 2.757 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.253 8.057 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.820 5.874 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.201 6.430 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.371 5.159 1.096 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.964 6.277 2.590 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.926 5.825 3.587 1.00 0.00 C ATOM 1709 C LYS A 111 -8.374 4.645 4.380 1.00 0.00 C ATOM 1710 O LYS A 111 -8.958 4.230 5.382 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.243 5.430 2.914 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.000 4.340 3.652 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.526 4.835 4.990 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.809 5.634 4.823 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.983 4.753 4.574 1.00 0.00 N ATOM 0 H LYS A 111 -8.306 6.244 1.630 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.111 6.649 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.879 6.312 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.036 5.093 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.832 3.994 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.344 3.484 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.708 3.985 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.770 5.455 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.985 6.229 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.697 6.332 3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.854 5.320 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.889 4.306 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.026 4.017 5.307 1.00 0.00 H new ATOM 1729 N SER A 112 -7.246 4.109 3.927 1.00 0.00 N ATOM 1730 CA SER A 112 -6.616 2.975 4.593 1.00 0.00 C ATOM 1731 C SER A 112 -6.753 3.090 6.108 1.00 0.00 C ATOM 1732 O SER A 112 -6.890 4.180 6.663 1.00 0.00 O ATOM 1733 CB SER A 112 -5.138 2.886 4.208 1.00 0.00 C ATOM 1734 OG SER A 112 -4.915 3.419 2.914 1.00 0.00 O ATOM 0 H SER A 112 -6.749 4.442 3.101 1.00 0.00 H new ATOM 0 HA SER A 112 -7.124 2.067 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.536 3.428 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.813 1.846 4.237 1.00 0.00 H new ATOM 0 HG SER A 112 -5.584 3.062 2.293 1.00 0.00 H new ATOM 1740 N PRO A 113 -6.715 1.938 6.794 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.552 0.635 6.144 1.00 0.00 C ATOM 1742 C PRO A 113 -7.784 0.229 5.342 1.00 0.00 C ATOM 1743 O PRO A 113 -8.910 0.579 5.696 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.340 -0.323 7.319 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.002 0.343 8.475 1.00 0.00 C ATOM 1746 CD PRO A 113 -6.828 1.820 8.258 1.00 0.00 C ATOM 0 HA PRO A 113 -5.733 0.638 5.425 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.782 -1.299 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.279 -0.486 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.058 0.078 8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -6.550 0.031 9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -7.677 2.386 8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -5.938 2.198 8.762 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.563 -0.510 4.260 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.655 -0.961 3.407 1.00 0.00 C ATOM 1756 C TYR A 114 -9.020 -2.411 3.710 1.00 0.00 C ATOM 1757 O TYR A 114 -8.145 -3.253 3.914 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.271 -0.817 1.933 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.461 0.582 1.392 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.731 1.079 1.127 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.370 1.406 1.144 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.909 2.356 0.632 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.539 2.685 0.650 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.810 3.155 0.395 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.982 4.428 -0.098 1.00 0.00 O ATOM 0 H TYR A 114 -6.637 -0.809 3.954 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.524 -0.336 3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.228 -1.107 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.868 -1.511 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.594 0.456 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.373 1.040 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.903 2.727 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.680 3.313 0.465 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.938 4.604 -0.223 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.318 -2.695 3.736 1.00 0.00 N ATOM 1776 CA ILE A 115 -10.800 -4.042 4.012 1.00 0.00 C ATOM 1777 C ILE A 115 -11.461 -4.653 2.781 1.00 0.00 C ATOM 1778 O ILE A 115 -12.563 -4.260 2.396 1.00 0.00 O ATOM 1779 CB ILE A 115 -11.804 -4.053 5.179 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.363 -3.075 6.270 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -11.944 -5.458 5.745 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -9.952 -3.313 6.759 1.00 0.00 C ATOM 0 H ILE A 115 -11.055 -2.010 3.569 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.930 -4.638 4.287 1.00 0.00 H new ATOM 0 HB ILE A 115 -12.777 -3.735 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.440 -2.057 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.049 -3.151 7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -12.657 -5.449 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.300 -6.131 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.975 -5.803 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.707 -2.584 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.875 -4.319 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.256 -3.208 5.927 1.00 0.00 H new ATOM 1794 N LEU A 116 -10.782 -5.616 2.167 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.304 -6.283 0.980 1.00 0.00 C ATOM 1796 C LEU A 116 -11.321 -7.796 1.169 1.00 0.00 C ATOM 1797 O LEU A 116 -10.287 -8.457 1.070 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.462 -5.920 -0.245 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.234 -4.427 -0.484 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.012 -3.944 0.281 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.081 -4.143 -1.971 1.00 0.00 C ATOM 0 H LEU A 116 -9.869 -5.952 2.472 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.328 -5.943 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.490 -6.405 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.943 -6.340 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.104 -3.883 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.866 -2.879 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.161 -4.112 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.132 -4.494 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.919 -3.076 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.228 -4.698 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.986 -4.451 -2.495 1.00 0.00 H new ATOM 1813 N LYS A 117 -12.503 -8.340 1.440 1.00 0.00 N ATOM 1814 CA LYS A 117 -12.657 -9.776 1.640 1.00 0.00 C ATOM 1815 C LYS A 117 -13.721 -10.344 0.706 1.00 0.00 C ATOM 1816 O LYS A 117 -13.482 -11.321 -0.002 1.00 0.00 O ATOM 1817 CB LYS A 117 -13.029 -10.073 3.094 1.00 0.00 C ATOM 1818 CG LYS A 117 -14.254 -9.316 3.576 1.00 0.00 C ATOM 1819 CD LYS A 117 -14.265 -9.176 5.089 1.00 0.00 C ATOM 1820 CE LYS A 117 -15.590 -8.621 5.588 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.694 -9.610 5.447 1.00 0.00 N ATOM 0 H LYS A 117 -13.369 -7.807 1.526 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.704 -10.253 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -13.207 -11.143 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.183 -9.824 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.275 -8.327 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.155 -9.836 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.081 -10.148 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.453 -8.518 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.492 -8.333 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.838 -7.718 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.520 -9.288 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.953 -9.701 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.381 -10.534 5.809 1.00 0.00 H new ATOM 1835 N GLY A 118 -14.898 -9.724 0.710 1.00 0.00 N ATOM 1836 CA GLY A 118 -15.980 -10.181 -0.142 1.00 0.00 C ATOM 1837 C GLY A 118 -17.219 -9.317 -0.019 1.00 0.00 C ATOM 1838 O GLY A 118 -17.737 -9.114 1.079 1.00 0.00 O ATOM 0 H GLY A 118 -15.121 -8.914 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.645 -10.185 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.231 -11.210 0.115 1.00 0.00 H new ATOM 1842 N SER A 119 -17.695 -8.804 -1.149 1.00 0.00 N ATOM 1843 CA SER A 119 -18.878 -7.951 -1.163 1.00 0.00 C ATOM 1844 C SER A 119 -20.005 -8.572 -0.342 1.00 0.00 C ATOM 1845 O SER A 119 -20.148 -9.792 -0.287 1.00 0.00 O ATOM 1846 CB SER A 119 -19.348 -7.718 -2.600 1.00 0.00 C ATOM 1847 OG SER A 119 -20.597 -7.048 -2.625 1.00 0.00 O ATOM 0 H SER A 119 -17.280 -8.964 -2.067 1.00 0.00 H new ATOM 0 HA SER A 119 -18.611 -6.994 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 119 -18.605 -7.129 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 119 -19.434 -8.673 -3.118 1.00 0.00 H new ATOM 0 HG SER A 119 -20.875 -6.909 -3.554 1.00 0.00 H new ATOM 1853 N GLY A 120 -20.802 -7.720 0.296 1.00 0.00 N ATOM 1854 CA GLY A 120 -21.906 -8.202 1.107 1.00 0.00 C ATOM 1855 C GLY A 120 -22.888 -7.104 1.460 1.00 0.00 C ATOM 1856 O GLY A 120 -22.806 -6.486 2.522 1.00 0.00 O ATOM 0 H GLY A 120 -20.703 -6.705 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -22.429 -8.994 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -21.514 -8.643 2.023 1.00 0.00 H new ATOM 1860 N PRO A 121 -23.844 -6.845 0.555 1.00 0.00 N ATOM 1861 CA PRO A 121 -24.864 -5.811 0.755 1.00 0.00 C ATOM 1862 C PRO A 121 -25.862 -6.185 1.846 1.00 0.00 C ATOM 1863 O PRO A 121 -26.750 -7.009 1.632 1.00 0.00 O ATOM 1864 CB PRO A 121 -25.562 -5.735 -0.605 1.00 0.00 C ATOM 1865 CG PRO A 121 -25.347 -7.076 -1.217 1.00 0.00 C ATOM 1866 CD PRO A 121 -24.002 -7.542 -0.732 1.00 0.00 C ATOM 0 HA PRO A 121 -24.429 -4.866 1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -26.624 -5.517 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -25.138 -4.945 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -26.132 -7.771 -0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -25.370 -7.017 -2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -23.972 -8.625 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -23.209 -7.279 -1.432 1.00 0.00 H new ATOM 1874 N SER A 122 -25.709 -5.572 3.015 1.00 0.00 N ATOM 1875 CA SER A 122 -26.595 -5.843 4.141 1.00 0.00 C ATOM 1876 C SER A 122 -28.056 -5.666 3.738 1.00 0.00 C ATOM 1877 O SER A 122 -28.911 -6.477 4.090 1.00 0.00 O ATOM 1878 CB SER A 122 -26.262 -4.918 5.314 1.00 0.00 C ATOM 1879 OG SER A 122 -26.575 -3.571 5.005 1.00 0.00 O ATOM 0 H SER A 122 -24.980 -4.885 3.207 1.00 0.00 H new ATOM 0 HA SER A 122 -26.444 -6.878 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 122 -26.819 -5.231 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 122 -25.203 -5.002 5.558 1.00 0.00 H new ATOM 0 HG SER A 122 -26.355 -3.000 5.771 1.00 0.00 H new ATOM 1885 N SER A 123 -28.333 -4.598 2.997 1.00 0.00 N ATOM 1886 CA SER A 123 -29.690 -4.310 2.548 1.00 0.00 C ATOM 1887 C SER A 123 -29.851 -4.631 1.065 1.00 0.00 C ATOM 1888 O SER A 123 -29.034 -4.227 0.239 1.00 0.00 O ATOM 1889 CB SER A 123 -30.035 -2.842 2.804 1.00 0.00 C ATOM 1890 OG SER A 123 -30.202 -2.592 4.189 1.00 0.00 O ATOM 0 H SER A 123 -27.636 -3.918 2.695 1.00 0.00 H new ATOM 0 HA SER A 123 -30.375 -4.940 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 123 -29.244 -2.205 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 123 -30.950 -2.582 2.271 1.00 0.00 H new ATOM 0 HG SER A 123 -30.420 -1.647 4.327 1.00 0.00 H new ATOM 1896 N GLY A 124 -30.913 -5.360 0.735 1.00 0.00 N ATOM 1897 CA GLY A 124 -31.163 -5.723 -0.648 1.00 0.00 C ATOM 1898 C GLY A 124 -31.785 -7.099 -0.783 1.00 0.00 C ATOM 1899 O GLY A 124 -32.770 -7.274 -1.499 1.00 0.00 O ATOM 0 H GLY A 124 -31.604 -5.706 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -31.823 -4.983 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -30.225 -5.696 -1.203 1.00 0.00 H new TER 1903 GLY A 124