USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 75 GLN : amide:sc= -0.483 X(o=-0.75,f=-0.71) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.262 X(o=-0.75,f=-0.71) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.518 K(o=1.7,f=-4.1) USER MOD Set 3.1: A 9 SER OG : rot 36:sc= 0.0497 USER MOD Set 3.2: A 11 MET CE :methyl -141:sc= 0 (180deg=-0.85) USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-0.0987) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.103 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.002) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -161:sc= -0.149 (180deg=-0.605) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.528 USER MOD Single : A 36 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.26) USER MOD Single : A 44 TYR OH : rot 62:sc= -0.912 USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 0.362 (180deg=-0.00364) USER MOD Single : A 53 GLN : amide:sc= 0.0441 K(o=0.044,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.9 (180deg=0.00589) USER MOD Single : A 57 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.6) USER MOD Single : A 59 SER OG : rot 114:sc= 0.154 USER MOD Single : A 60 CYS SG : rot -27:sc= -1.06 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00205 USER MOD Single : A 63 CYS SG : rot -54:sc= -1.64! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 77:sc= 0.399 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 77 MET CE :methyl 154:sc= -0.163 (180deg=-0.811) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.97 K(o=-2,f=-3.6) USER MOD Single : A 92 MET CE :methyl -159:sc= -0.158 (180deg=-0.777) USER MOD Single : A 96 SER OG : rot -44:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.956 27.895 20.659 1.00 22.13 N ATOM 2 CA MET A 1 -22.626 28.987 21.407 1.00 5.11 C ATOM 3 C MET A 1 -22.937 30.159 20.469 1.00 2.25 C ATOM 4 O MET A 1 -22.451 30.186 19.329 1.00 73.13 O ATOM 5 CB MET A 1 -21.769 29.437 22.626 1.00 52.12 C ATOM 6 CG MET A 1 -20.346 29.927 22.304 1.00 70.44 C ATOM 7 SD MET A 1 -19.440 30.392 23.803 1.00 45.53 S ATOM 8 CE MET A 1 -17.812 30.787 23.166 1.00 51.40 C ATOM 0 H1 MET A 1 -21.137 27.554 21.202 1.00 22.13 H new ATOM 0 H2 MET A 1 -22.625 27.112 20.514 1.00 22.13 H new ATOM 0 H3 MET A 1 -21.635 28.252 19.736 1.00 22.13 H new ATOM 0 HA MET A 1 -23.571 28.612 21.800 1.00 5.11 H new ATOM 0 HB2 MET A 1 -22.299 30.237 23.143 1.00 52.12 H new ATOM 0 HB3 MET A 1 -21.696 28.601 23.322 1.00 52.12 H new ATOM 0 HG2 MET A 1 -19.801 29.142 21.779 1.00 70.44 H new ATOM 0 HG3 MET A 1 -20.400 30.783 21.631 1.00 70.44 H new ATOM 0 HE1 MET A 1 -17.061 30.569 23.925 1.00 51.40 H new ATOM 0 HE2 MET A 1 -17.614 30.188 22.277 1.00 51.40 H new ATOM 0 HE3 MET A 1 -17.769 31.845 22.907 1.00 51.40 H new ATOM 20 N GLY A 2 -23.758 31.114 20.960 1.00 43.23 N ATOM 21 CA GLY A 2 -24.166 32.287 20.178 1.00 75.21 C ATOM 22 C GLY A 2 -22.986 33.137 19.738 1.00 2.23 C ATOM 23 O GLY A 2 -22.967 33.658 18.614 1.00 21.14 O ATOM 0 H GLY A 2 -24.150 31.088 21.901 1.00 43.23 H new ATOM 0 HA2 GLY A 2 -24.719 31.958 19.299 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -24.846 32.897 20.773 1.00 75.21 H new ATOM 27 N HIS A 3 -21.994 33.252 20.639 1.00 20.23 N ATOM 28 CA HIS A 3 -20.724 33.925 20.356 1.00 51.34 C ATOM 29 C HIS A 3 -19.977 33.164 19.245 1.00 62.31 C ATOM 30 O HIS A 3 -19.758 31.951 19.363 1.00 30.51 O ATOM 31 CB HIS A 3 -19.854 34.003 21.642 1.00 21.03 C ATOM 32 CG HIS A 3 -18.615 34.852 21.494 1.00 34.21 C ATOM 33 ND1 HIS A 3 -17.355 34.331 21.288 1.00 30.14 N ATOM 34 CD2 HIS A 3 -18.458 36.195 21.527 1.00 31.10 C ATOM 35 CE1 HIS A 3 -16.486 35.318 21.204 1.00 61.40 C ATOM 36 NE2 HIS A 3 -17.131 36.457 21.345 1.00 52.14 N ATOM 0 H HIS A 3 -22.056 32.878 21.586 1.00 20.23 H new ATOM 0 HA HIS A 3 -20.924 34.942 20.019 1.00 51.34 H new ATOM 0 HB2 HIS A 3 -20.461 34.402 22.455 1.00 21.03 H new ATOM 0 HB3 HIS A 3 -19.559 32.994 21.930 1.00 21.03 H new ATOM 0 HD2 HIS A 3 -19.240 36.926 21.671 1.00 31.10 H new ATOM 0 HE1 HIS A 3 -15.423 35.211 21.046 1.00 61.40 H new ATOM 0 HE2 HIS A 3 -16.708 37.385 21.322 1.00 52.14 H new ATOM 45 N HIS A 4 -19.633 33.871 18.163 1.00 73.00 N ATOM 46 CA HIS A 4 -18.848 33.316 17.045 1.00 22.41 C ATOM 47 C HIS A 4 -17.349 33.363 17.379 1.00 52.20 C ATOM 48 O HIS A 4 -16.925 34.119 18.258 1.00 50.22 O ATOM 49 CB HIS A 4 -19.120 34.111 15.735 1.00 41.43 C ATOM 50 CG HIS A 4 -20.556 34.115 15.279 1.00 1.34 C ATOM 51 ND1 HIS A 4 -21.145 35.205 14.674 1.00 51.34 N ATOM 52 CD2 HIS A 4 -21.509 33.152 15.314 1.00 74.51 C ATOM 53 CE1 HIS A 4 -22.389 34.911 14.359 1.00 72.01 C ATOM 54 NE2 HIS A 4 -22.635 33.674 14.737 1.00 45.21 N ATOM 0 H HIS A 4 -19.891 34.849 18.034 1.00 73.00 H new ATOM 0 HA HIS A 4 -19.151 32.280 16.894 1.00 22.41 H new ATOM 0 HB2 HIS A 4 -18.798 35.142 15.880 1.00 41.43 H new ATOM 0 HB3 HIS A 4 -18.503 33.693 14.939 1.00 41.43 H new ATOM 0 HD2 HIS A 4 -21.400 32.158 15.721 1.00 74.51 H new ATOM 0 HE1 HIS A 4 -23.090 35.573 13.872 1.00 72.01 H new ATOM 0 HE2 HIS A 4 -23.522 33.184 14.619 1.00 45.21 H new ATOM 63 N HIS A 5 -16.557 32.557 16.661 1.00 24.35 N ATOM 64 CA HIS A 5 -15.086 32.527 16.804 1.00 74.22 C ATOM 65 C HIS A 5 -14.429 32.463 15.419 1.00 22.53 C ATOM 66 O HIS A 5 -14.976 31.866 14.486 1.00 53.21 O ATOM 67 CB HIS A 5 -14.630 31.341 17.696 1.00 25.34 C ATOM 68 CG HIS A 5 -15.025 29.968 17.197 1.00 23.43 C ATOM 69 ND1 HIS A 5 -14.167 29.141 16.509 1.00 30.54 N ATOM 70 CD2 HIS A 5 -16.186 29.276 17.309 1.00 2.25 C ATOM 71 CE1 HIS A 5 -14.778 28.013 16.225 1.00 40.25 C ATOM 72 NE2 HIS A 5 -16.006 28.069 16.696 1.00 73.31 N ATOM 0 H HIS A 5 -16.913 31.905 15.962 1.00 24.35 H new ATOM 0 HA HIS A 5 -14.767 33.444 17.300 1.00 74.22 H new ATOM 0 HB2 HIS A 5 -13.545 31.376 17.792 1.00 25.34 H new ATOM 0 HB3 HIS A 5 -15.043 31.479 18.695 1.00 25.34 H new ATOM 0 HD2 HIS A 5 -17.088 29.617 17.794 1.00 2.25 H new ATOM 0 HE1 HIS A 5 -14.345 27.179 15.694 1.00 40.25 H new ATOM 0 HE2 HIS A 5 -16.707 27.333 16.616 1.00 73.31 H new ATOM 81 N HIS A 6 -13.264 33.108 15.297 1.00 63.34 N ATOM 82 CA HIS A 6 -12.487 33.168 14.045 1.00 65.31 C ATOM 83 C HIS A 6 -11.155 32.433 14.221 1.00 31.21 C ATOM 84 O HIS A 6 -10.696 32.219 15.352 1.00 43.32 O ATOM 85 CB HIS A 6 -12.239 34.644 13.633 1.00 53.32 C ATOM 86 CG HIS A 6 -13.506 35.441 13.444 1.00 40.15 C ATOM 87 ND1 HIS A 6 -13.937 36.396 14.337 1.00 12.42 N ATOM 88 CD2 HIS A 6 -14.448 35.395 12.472 1.00 3.31 C ATOM 89 CE1 HIS A 6 -15.078 36.899 13.923 1.00 44.30 C ATOM 90 NE2 HIS A 6 -15.414 36.308 12.798 1.00 74.11 N ATOM 0 H HIS A 6 -12.826 33.609 16.070 1.00 63.34 H new ATOM 0 HA HIS A 6 -13.056 32.681 13.254 1.00 65.31 H new ATOM 0 HB2 HIS A 6 -11.627 35.127 14.395 1.00 53.32 H new ATOM 0 HB3 HIS A 6 -11.667 34.662 12.705 1.00 53.32 H new ATOM 0 HD2 HIS A 6 -14.439 34.756 11.601 1.00 3.31 H new ATOM 0 HE1 HIS A 6 -15.645 37.670 14.424 1.00 44.30 H new ATOM 0 HE2 HIS A 6 -16.257 36.499 12.256 1.00 74.11 H new ATOM 99 N HIS A 7 -10.540 32.061 13.093 1.00 53.41 N ATOM 100 CA HIS A 7 -9.250 31.345 13.068 1.00 34.31 C ATOM 101 C HIS A 7 -8.635 31.420 11.666 1.00 13.21 C ATOM 102 O HIS A 7 -9.325 31.743 10.690 1.00 51.33 O ATOM 103 CB HIS A 7 -9.407 29.860 13.516 1.00 42.21 C ATOM 104 CG HIS A 7 -10.368 29.039 12.689 1.00 53.31 C ATOM 105 ND1 HIS A 7 -9.958 28.096 11.766 1.00 72.43 N ATOM 106 CD2 HIS A 7 -11.721 28.995 12.686 1.00 24.13 C ATOM 107 CE1 HIS A 7 -11.016 27.515 11.240 1.00 74.55 C ATOM 108 NE2 HIS A 7 -12.092 28.043 11.781 1.00 1.13 N ATOM 0 H HIS A 7 -10.921 32.247 12.165 1.00 53.41 H new ATOM 0 HA HIS A 7 -8.582 31.832 13.779 1.00 34.31 H new ATOM 0 HB2 HIS A 7 -8.428 29.383 13.487 1.00 42.21 H new ATOM 0 HB3 HIS A 7 -9.739 29.843 14.554 1.00 42.21 H new ATOM 0 HD2 HIS A 7 -12.383 29.600 13.287 1.00 24.13 H new ATOM 0 HE1 HIS A 7 -11.002 26.737 10.491 1.00 74.55 H new ATOM 0 HE2 HIS A 7 -13.053 27.782 11.559 1.00 1.13 H new ATOM 117 N HIS A 8 -7.329 31.123 11.581 1.00 42.13 N ATOM 118 CA HIS A 8 -6.587 31.113 10.309 1.00 3.43 C ATOM 119 C HIS A 8 -6.686 29.716 9.664 1.00 63.25 C ATOM 120 O HIS A 8 -6.633 28.693 10.364 1.00 11.13 O ATOM 121 CB HIS A 8 -5.108 31.524 10.544 1.00 52.15 C ATOM 122 CG HIS A 8 -4.921 32.959 11.001 1.00 64.00 C ATOM 123 ND1 HIS A 8 -3.950 33.799 10.495 1.00 62.54 N ATOM 124 CD2 HIS A 8 -5.580 33.692 11.936 1.00 71.25 C ATOM 125 CE1 HIS A 8 -4.027 34.970 11.094 1.00 71.32 C ATOM 126 NE2 HIS A 8 -5.006 34.929 11.970 1.00 41.14 N ATOM 0 H HIS A 8 -6.757 30.883 12.391 1.00 42.13 H new ATOM 0 HA HIS A 8 -7.027 31.839 9.626 1.00 3.43 H new ATOM 0 HB2 HIS A 8 -4.673 30.858 11.290 1.00 52.15 H new ATOM 0 HB3 HIS A 8 -4.551 31.375 9.619 1.00 52.15 H new ATOM 0 HD2 HIS A 8 -6.408 33.356 12.542 1.00 71.25 H new ATOM 0 HE1 HIS A 8 -3.392 35.821 10.898 1.00 71.32 H new ATOM 0 HE2 HIS A 8 -5.291 35.698 12.577 1.00 41.14 H new ATOM 135 N SER A 9 -6.856 29.696 8.333 1.00 3.22 N ATOM 136 CA SER A 9 -7.042 28.464 7.555 1.00 3.41 C ATOM 137 C SER A 9 -5.685 27.772 7.278 1.00 41.42 C ATOM 138 O SER A 9 -4.776 28.378 6.693 1.00 24.03 O ATOM 139 CB SER A 9 -7.794 28.797 6.246 1.00 50.11 C ATOM 140 OG SER A 9 -7.191 29.876 5.555 1.00 41.21 O ATOM 0 H SER A 9 -6.868 30.542 7.763 1.00 3.22 H new ATOM 0 HA SER A 9 -7.642 27.759 8.131 1.00 3.41 H new ATOM 0 HB2 SER A 9 -7.812 27.917 5.603 1.00 50.11 H new ATOM 0 HB3 SER A 9 -8.830 29.045 6.475 1.00 50.11 H new ATOM 0 HG SER A 9 -6.218 29.829 5.661 1.00 41.21 H new ATOM 146 N HIS A 10 -5.565 26.506 7.728 1.00 62.40 N ATOM 147 CA HIS A 10 -4.345 25.692 7.571 1.00 21.14 C ATOM 148 C HIS A 10 -4.286 25.087 6.153 1.00 40.13 C ATOM 149 O HIS A 10 -4.711 23.945 5.923 1.00 41.22 O ATOM 150 CB HIS A 10 -4.282 24.587 8.663 1.00 11.25 C ATOM 151 CG HIS A 10 -4.258 25.114 10.078 1.00 12.03 C ATOM 152 ND1 HIS A 10 -3.110 25.542 10.702 1.00 54.51 N ATOM 153 CD2 HIS A 10 -5.250 25.281 10.982 1.00 4.11 C ATOM 154 CE1 HIS A 10 -3.397 25.945 11.924 1.00 32.30 C ATOM 155 NE2 HIS A 10 -4.689 25.797 12.119 1.00 13.53 N ATOM 0 H HIS A 10 -6.318 26.018 8.214 1.00 62.40 H new ATOM 0 HA HIS A 10 -3.473 26.334 7.700 1.00 21.14 H new ATOM 0 HB2 HIS A 10 -5.143 23.928 8.547 1.00 11.25 H new ATOM 0 HB3 HIS A 10 -3.392 23.980 8.498 1.00 11.25 H new ATOM 0 HD2 HIS A 10 -6.294 25.049 10.834 1.00 4.11 H new ATOM 0 HE1 HIS A 10 -2.690 26.331 12.643 1.00 32.30 H new ATOM 0 HE2 HIS A 10 -5.191 26.029 12.976 1.00 13.53 H new ATOM 164 N MET A 11 -3.816 25.902 5.199 1.00 24.23 N ATOM 165 CA MET A 11 -3.701 25.517 3.783 1.00 40.25 C ATOM 166 C MET A 11 -2.297 24.929 3.508 1.00 31.41 C ATOM 167 O MET A 11 -1.342 25.687 3.295 1.00 74.10 O ATOM 168 CB MET A 11 -3.956 26.763 2.878 1.00 41.05 C ATOM 169 CG MET A 11 -5.337 27.418 3.034 1.00 14.11 C ATOM 170 SD MET A 11 -6.683 26.369 2.440 1.00 51.52 S ATOM 171 CE MET A 11 -8.085 27.480 2.587 1.00 41.02 C ATOM 0 H MET A 11 -3.502 26.854 5.388 1.00 24.23 H new ATOM 0 HA MET A 11 -4.447 24.756 3.554 1.00 40.25 H new ATOM 0 HB2 MET A 11 -3.192 27.510 3.093 1.00 41.05 H new ATOM 0 HB3 MET A 11 -3.828 26.467 1.837 1.00 41.05 H new ATOM 0 HG2 MET A 11 -5.504 27.655 4.085 1.00 14.11 H new ATOM 0 HG3 MET A 11 -5.350 28.361 2.488 1.00 14.11 H new ATOM 0 HE1 MET A 11 -8.954 26.924 2.939 1.00 41.02 H new ATOM 0 HE2 MET A 11 -7.849 28.272 3.297 1.00 41.02 H new ATOM 0 HE3 MET A 11 -8.305 27.919 1.614 1.00 41.02 H new ATOM 181 N GLY A 12 -2.163 23.586 3.540 1.00 25.13 N ATOM 182 CA GLY A 12 -0.882 22.935 3.208 1.00 44.34 C ATOM 183 C GLY A 12 -0.831 21.458 3.569 1.00 51.43 C ATOM 184 O GLY A 12 -1.457 21.034 4.549 1.00 51.50 O ATOM 0 H GLY A 12 -2.914 22.942 3.788 1.00 25.13 H new ATOM 0 HA2 GLY A 12 -0.696 23.045 2.140 1.00 44.34 H new ATOM 0 HA3 GLY A 12 -0.076 23.454 3.727 1.00 44.34 H new ATOM 188 N SER A 13 -0.063 20.685 2.767 1.00 52.10 N ATOM 189 CA SER A 13 0.138 19.234 2.938 1.00 11.40 C ATOM 190 C SER A 13 1.208 18.758 1.942 1.00 10.30 C ATOM 191 O SER A 13 1.024 17.783 1.208 1.00 71.02 O ATOM 192 CB SER A 13 -1.200 18.476 2.753 1.00 65.55 C ATOM 193 OG SER A 13 -1.855 18.838 1.542 1.00 14.21 O ATOM 0 H SER A 13 0.443 21.064 1.967 1.00 52.10 H new ATOM 0 HA SER A 13 0.486 19.022 3.949 1.00 11.40 H new ATOM 0 HB2 SER A 13 -1.012 17.402 2.756 1.00 65.55 H new ATOM 0 HB3 SER A 13 -1.856 18.687 3.597 1.00 65.55 H new ATOM 0 HG SER A 13 -2.694 18.337 1.461 1.00 14.21 H new ATOM 199 N GLU A 14 2.342 19.465 1.965 1.00 22.32 N ATOM 200 CA GLU A 14 3.421 19.337 0.966 1.00 24.41 C ATOM 201 C GLU A 14 4.282 18.056 1.156 1.00 41.13 C ATOM 202 O GLU A 14 4.094 17.073 0.430 1.00 74.43 O ATOM 203 CB GLU A 14 4.301 20.632 0.959 1.00 42.12 C ATOM 204 CG GLU A 14 4.594 21.252 2.365 1.00 23.34 C ATOM 205 CD GLU A 14 3.671 22.431 2.729 1.00 23.31 C ATOM 206 OE1 GLU A 14 2.597 22.205 3.323 1.00 43.25 O ATOM 207 OE2 GLU A 14 4.006 23.589 2.396 1.00 63.34 O ATOM 0 H GLU A 14 2.545 20.155 2.688 1.00 22.32 H new ATOM 0 HA GLU A 14 2.948 19.226 -0.010 1.00 24.41 H new ATOM 0 HB2 GLU A 14 5.251 20.402 0.477 1.00 42.12 H new ATOM 0 HB3 GLU A 14 3.806 21.384 0.345 1.00 42.12 H new ATOM 0 HG2 GLU A 14 4.492 20.475 3.123 1.00 23.34 H new ATOM 0 HG3 GLU A 14 5.630 21.591 2.394 1.00 23.34 H new ATOM 214 N GLU A 15 5.214 18.066 2.138 1.00 13.30 N ATOM 215 CA GLU A 15 6.241 17.000 2.303 1.00 12.52 C ATOM 216 C GLU A 15 6.312 16.512 3.764 1.00 42.04 C ATOM 217 O GLU A 15 7.235 15.775 4.142 1.00 12.23 O ATOM 218 CB GLU A 15 7.628 17.523 1.834 1.00 31.11 C ATOM 219 CG GLU A 15 8.120 18.787 2.578 1.00 2.34 C ATOM 220 CD GLU A 15 9.558 19.189 2.215 1.00 61.12 C ATOM 221 OE1 GLU A 15 10.511 18.662 2.833 1.00 34.13 O ATOM 222 OE2 GLU A 15 9.753 20.020 1.296 1.00 50.22 O ATOM 0 H GLU A 15 5.279 18.807 2.836 1.00 13.30 H new ATOM 0 HA GLU A 15 5.954 16.150 1.685 1.00 12.52 H new ATOM 0 HB2 GLU A 15 8.365 16.730 1.964 1.00 31.11 H new ATOM 0 HB3 GLU A 15 7.579 17.740 0.767 1.00 31.11 H new ATOM 0 HG2 GLU A 15 7.451 19.617 2.351 1.00 2.34 H new ATOM 0 HG3 GLU A 15 8.060 18.614 3.652 1.00 2.34 H new ATOM 229 N ASP A 16 5.314 16.898 4.562 1.00 62.34 N ATOM 230 CA ASP A 16 5.230 16.566 5.998 1.00 40.43 C ATOM 231 C ASP A 16 4.697 15.133 6.194 1.00 43.31 C ATOM 232 O ASP A 16 4.382 14.429 5.222 1.00 43.11 O ATOM 233 CB ASP A 16 4.305 17.596 6.716 1.00 23.21 C ATOM 234 CG ASP A 16 4.798 19.051 6.598 1.00 13.21 C ATOM 235 OD1 ASP A 16 4.777 19.603 5.469 1.00 35.33 O ATOM 236 OD2 ASP A 16 5.179 19.667 7.623 1.00 11.03 O ATOM 0 H ASP A 16 4.528 17.457 4.231 1.00 62.34 H new ATOM 0 HA ASP A 16 6.228 16.616 6.434 1.00 40.43 H new ATOM 0 HB2 ASP A 16 3.301 17.526 6.296 1.00 23.21 H new ATOM 0 HB3 ASP A 16 4.229 17.331 7.771 1.00 23.21 H new ATOM 241 N ASP A 17 4.554 14.724 7.472 1.00 71.31 N ATOM 242 CA ASP A 17 4.015 13.397 7.841 1.00 25.14 C ATOM 243 C ASP A 17 2.499 13.321 7.577 1.00 71.10 C ATOM 244 O ASP A 17 1.899 12.275 7.798 1.00 13.11 O ATOM 245 CB ASP A 17 4.323 13.073 9.331 1.00 72.11 C ATOM 246 CG ASP A 17 3.493 13.902 10.338 1.00 41.21 C ATOM 247 OD1 ASP A 17 3.731 15.125 10.454 1.00 23.22 O ATOM 248 OD2 ASP A 17 2.590 13.338 11.000 1.00 21.21 O ATOM 0 H ASP A 17 4.807 15.301 8.274 1.00 71.31 H new ATOM 0 HA ASP A 17 4.506 12.652 7.215 1.00 25.14 H new ATOM 0 HB2 ASP A 17 4.138 12.014 9.508 1.00 72.11 H new ATOM 0 HB3 ASP A 17 5.383 13.247 9.519 1.00 72.11 H new ATOM 253 N GLY A 18 1.891 14.452 7.154 1.00 61.31 N ATOM 254 CA GLY A 18 0.504 14.476 6.698 1.00 22.23 C ATOM 255 C GLY A 18 0.271 13.613 5.466 1.00 50.03 C ATOM 256 O GLY A 18 -0.805 13.019 5.323 1.00 32.50 O ATOM 0 H GLY A 18 2.353 15.361 7.123 1.00 61.31 H new ATOM 0 HA2 GLY A 18 -0.144 14.132 7.504 1.00 22.23 H new ATOM 0 HA3 GLY A 18 0.218 15.504 6.475 1.00 22.23 H new ATOM 260 N VAL A 19 1.292 13.550 4.577 1.00 12.31 N ATOM 261 CA VAL A 19 1.308 12.621 3.429 1.00 72.13 C ATOM 262 C VAL A 19 1.238 11.165 3.939 1.00 63.24 C ATOM 263 O VAL A 19 0.377 10.395 3.525 1.00 13.13 O ATOM 264 CB VAL A 19 2.598 12.826 2.537 1.00 51.34 C ATOM 265 CG1 VAL A 19 2.680 11.789 1.384 1.00 22.34 C ATOM 266 CG2 VAL A 19 2.665 14.269 1.976 1.00 34.14 C ATOM 0 H VAL A 19 2.122 14.140 4.638 1.00 12.31 H new ATOM 0 HA VAL A 19 0.438 12.832 2.807 1.00 72.13 H new ATOM 0 HB VAL A 19 3.460 12.666 3.185 1.00 51.34 H new ATOM 0 HG11 VAL A 19 3.581 11.967 0.798 1.00 22.34 H new ATOM 0 HG12 VAL A 19 2.712 10.783 1.801 1.00 22.34 H new ATOM 0 HG13 VAL A 19 1.804 11.888 0.743 1.00 22.34 H new ATOM 0 HG21 VAL A 19 3.562 14.381 1.367 1.00 34.14 H new ATOM 0 HG22 VAL A 19 1.784 14.463 1.364 1.00 34.14 H new ATOM 0 HG23 VAL A 19 2.696 14.979 2.802 1.00 34.14 H new ATOM 276 N VAL A 20 2.137 10.851 4.887 1.00 15.31 N ATOM 277 CA VAL A 20 2.221 9.535 5.555 1.00 54.23 C ATOM 278 C VAL A 20 0.885 9.190 6.266 1.00 61.13 C ATOM 279 O VAL A 20 0.386 8.074 6.164 1.00 53.33 O ATOM 280 CB VAL A 20 3.428 9.535 6.580 1.00 53.14 C ATOM 281 CG1 VAL A 20 3.543 8.214 7.377 1.00 33.23 C ATOM 282 CG2 VAL A 20 4.758 9.852 5.850 1.00 52.14 C ATOM 0 H VAL A 20 2.839 11.513 5.218 1.00 15.31 H new ATOM 0 HA VAL A 20 2.400 8.766 4.803 1.00 54.23 H new ATOM 0 HB VAL A 20 3.222 10.319 7.308 1.00 53.14 H new ATOM 0 HG11 VAL A 20 4.388 8.275 8.062 1.00 33.23 H new ATOM 0 HG12 VAL A 20 2.627 8.050 7.944 1.00 33.23 H new ATOM 0 HG13 VAL A 20 3.695 7.384 6.686 1.00 33.23 H new ATOM 0 HG21 VAL A 20 5.577 9.848 6.569 1.00 52.14 H new ATOM 0 HG22 VAL A 20 4.942 9.097 5.086 1.00 52.14 H new ATOM 0 HG23 VAL A 20 4.691 10.834 5.382 1.00 52.14 H new ATOM 292 N ALA A 21 0.288 10.208 6.909 1.00 62.41 N ATOM 293 CA ALA A 21 -0.936 10.065 7.713 1.00 34.53 C ATOM 294 C ALA A 21 -2.153 9.735 6.836 1.00 34.10 C ATOM 295 O ALA A 21 -2.986 8.900 7.205 1.00 4.23 O ATOM 296 CB ALA A 21 -1.186 11.345 8.531 1.00 22.32 C ATOM 0 H ALA A 21 0.646 11.163 6.884 1.00 62.41 H new ATOM 0 HA ALA A 21 -0.792 9.230 8.399 1.00 34.53 H new ATOM 0 HB1 ALA A 21 -2.094 11.228 9.122 1.00 22.32 H new ATOM 0 HB2 ALA A 21 -0.341 11.523 9.196 1.00 22.32 H new ATOM 0 HB3 ALA A 21 -1.300 12.192 7.855 1.00 22.32 H new ATOM 302 N MET A 22 -2.253 10.395 5.663 1.00 45.05 N ATOM 303 CA MET A 22 -3.383 10.180 4.743 1.00 13.44 C ATOM 304 C MET A 22 -3.202 8.889 3.922 1.00 61.13 C ATOM 305 O MET A 22 -4.186 8.333 3.454 1.00 3.21 O ATOM 306 CB MET A 22 -3.637 11.409 3.828 1.00 14.50 C ATOM 307 CG MET A 22 -2.518 11.760 2.849 1.00 44.31 C ATOM 308 SD MET A 22 -2.912 13.176 1.794 1.00 43.43 S ATOM 309 CE MET A 22 -4.359 12.588 0.904 1.00 32.42 C ATOM 0 H MET A 22 -1.568 11.076 5.335 1.00 45.05 H new ATOM 0 HA MET A 22 -4.275 10.057 5.358 1.00 13.44 H new ATOM 0 HB2 MET A 22 -4.548 11.230 3.258 1.00 14.50 H new ATOM 0 HB3 MET A 22 -3.823 12.276 4.462 1.00 14.50 H new ATOM 0 HG2 MET A 22 -1.608 11.975 3.409 1.00 44.31 H new ATOM 0 HG3 MET A 22 -2.309 10.894 2.221 1.00 44.31 H new ATOM 0 HE1 MET A 22 -4.504 13.190 0.007 1.00 32.42 H new ATOM 0 HE2 MET A 22 -4.214 11.545 0.621 1.00 32.42 H new ATOM 0 HE3 MET A 22 -5.238 12.671 1.543 1.00 32.42 H new ATOM 319 N ILE A 23 -1.945 8.401 3.764 1.00 1.51 N ATOM 320 CA ILE A 23 -1.695 7.066 3.177 1.00 53.31 C ATOM 321 C ILE A 23 -2.212 5.986 4.148 1.00 40.31 C ATOM 322 O ILE A 23 -2.845 5.029 3.711 1.00 71.33 O ATOM 323 CB ILE A 23 -0.172 6.810 2.824 1.00 32.30 C ATOM 324 CG1 ILE A 23 0.327 7.809 1.739 1.00 41.21 C ATOM 325 CG2 ILE A 23 0.068 5.347 2.357 1.00 42.41 C ATOM 326 CD1 ILE A 23 1.814 7.743 1.401 1.00 72.34 C ATOM 0 H ILE A 23 -1.101 8.907 4.032 1.00 1.51 H new ATOM 0 HA ILE A 23 -2.233 7.019 2.230 1.00 53.31 H new ATOM 0 HB ILE A 23 0.401 6.973 3.737 1.00 32.30 H new ATOM 0 HG12 ILE A 23 -0.241 7.635 0.825 1.00 41.21 H new ATOM 0 HG13 ILE A 23 0.095 8.821 2.071 1.00 41.21 H new ATOM 0 HG21 ILE A 23 1.124 5.208 2.123 1.00 42.41 H new ATOM 0 HG22 ILE A 23 -0.221 4.659 3.152 1.00 42.41 H new ATOM 0 HG23 ILE A 23 -0.530 5.146 1.468 1.00 42.41 H new ATOM 0 HD11 ILE A 23 2.046 8.483 0.635 1.00 72.34 H new ATOM 0 HD12 ILE A 23 2.400 7.952 2.296 1.00 72.34 H new ATOM 0 HD13 ILE A 23 2.059 6.748 1.031 1.00 72.34 H new ATOM 338 N LYS A 24 -1.972 6.189 5.470 1.00 50.41 N ATOM 339 CA LYS A 24 -2.457 5.278 6.538 1.00 55.55 C ATOM 340 C LYS A 24 -3.970 5.026 6.426 1.00 21.20 C ATOM 341 O LYS A 24 -4.416 3.876 6.541 1.00 52.45 O ATOM 342 CB LYS A 24 -2.137 5.843 7.949 1.00 53.43 C ATOM 343 CG LYS A 24 -0.641 5.932 8.296 1.00 22.14 C ATOM 344 CD LYS A 24 -0.393 6.612 9.662 1.00 44.24 C ATOM 345 CE LYS A 24 1.095 6.720 10.009 1.00 51.55 C ATOM 346 NZ LYS A 24 1.322 7.402 11.313 1.00 41.23 N ATOM 0 H LYS A 24 -1.440 6.984 5.823 1.00 50.41 H new ATOM 0 HA LYS A 24 -1.932 4.332 6.403 1.00 55.55 H new ATOM 0 HB2 LYS A 24 -2.572 6.839 8.031 1.00 53.43 H new ATOM 0 HB3 LYS A 24 -2.630 5.217 8.693 1.00 53.43 H new ATOM 0 HG2 LYS A 24 -0.213 4.929 8.309 1.00 22.14 H new ATOM 0 HG3 LYS A 24 -0.122 6.489 7.516 1.00 22.14 H new ATOM 0 HD2 LYS A 24 -0.832 7.609 9.651 1.00 44.24 H new ATOM 0 HD3 LYS A 24 -0.903 6.047 10.442 1.00 44.24 H new ATOM 0 HE2 LYS A 24 1.532 5.722 10.042 1.00 51.55 H new ATOM 0 HE3 LYS A 24 1.611 7.267 9.220 1.00 51.55 H new ATOM 0 HZ1 LYS A 24 2.343 7.452 11.506 1.00 41.23 H new ATOM 0 HZ2 LYS A 24 0.929 8.364 11.274 1.00 41.23 H new ATOM 0 HZ3 LYS A 24 0.852 6.867 12.071 1.00 41.23 H new ATOM 360 N GLU A 25 -4.751 6.107 6.180 1.00 1.15 N ATOM 361 CA GLU A 25 -6.215 6.004 6.088 1.00 20.01 C ATOM 362 C GLU A 25 -6.621 5.396 4.731 1.00 52.21 C ATOM 363 O GLU A 25 -7.523 4.585 4.695 1.00 33.10 O ATOM 364 CB GLU A 25 -6.917 7.376 6.341 1.00 4.24 C ATOM 365 CG GLU A 25 -6.938 8.353 5.150 1.00 11.01 C ATOM 366 CD GLU A 25 -7.520 9.735 5.488 1.00 64.31 C ATOM 367 OE1 GLU A 25 -8.756 9.913 5.406 1.00 1.41 O ATOM 368 OE2 GLU A 25 -6.747 10.652 5.843 1.00 33.22 O ATOM 0 H GLU A 25 -4.388 7.050 6.044 1.00 1.15 H new ATOM 0 HA GLU A 25 -6.556 5.336 6.879 1.00 20.01 H new ATOM 0 HB2 GLU A 25 -7.946 7.185 6.647 1.00 4.24 H new ATOM 0 HB3 GLU A 25 -6.421 7.866 7.179 1.00 4.24 H new ATOM 0 HG2 GLU A 25 -5.921 8.479 4.778 1.00 11.01 H new ATOM 0 HG3 GLU A 25 -7.521 7.912 4.341 1.00 11.01 H new ATOM 375 N LEU A 26 -5.921 5.761 3.623 1.00 73.52 N ATOM 376 CA LEU A 26 -6.213 5.213 2.270 1.00 33.13 C ATOM 377 C LEU A 26 -5.970 3.690 2.212 1.00 74.21 C ATOM 378 O LEU A 26 -6.620 2.977 1.436 1.00 42.34 O ATOM 379 CB LEU A 26 -5.375 5.954 1.190 1.00 53.44 C ATOM 380 CG LEU A 26 -5.767 7.445 0.947 1.00 23.23 C ATOM 381 CD1 LEU A 26 -4.782 8.144 -0.008 1.00 12.05 C ATOM 382 CD2 LEU A 26 -7.217 7.551 0.439 1.00 43.12 C ATOM 0 H LEU A 26 -5.152 6.431 3.640 1.00 73.52 H new ATOM 0 HA LEU A 26 -7.269 5.381 2.061 1.00 33.13 H new ATOM 0 HB2 LEU A 26 -4.325 5.914 1.479 1.00 53.44 H new ATOM 0 HB3 LEU A 26 -5.467 5.413 0.248 1.00 53.44 H new ATOM 0 HG LEU A 26 -5.706 7.965 1.903 1.00 23.23 H new ATOM 0 HD11 LEU A 26 -5.088 9.180 -0.152 1.00 12.05 H new ATOM 0 HD12 LEU A 26 -3.780 8.118 0.420 1.00 12.05 H new ATOM 0 HD13 LEU A 26 -4.779 7.629 -0.969 1.00 12.05 H new ATOM 0 HD21 LEU A 26 -7.470 8.599 0.276 1.00 43.12 H new ATOM 0 HD22 LEU A 26 -7.315 7.004 -0.499 1.00 43.12 H new ATOM 0 HD23 LEU A 26 -7.894 7.125 1.180 1.00 43.12 H new ATOM 394 N LEU A 27 -5.036 3.208 3.049 1.00 54.14 N ATOM 395 CA LEU A 27 -4.810 1.776 3.256 1.00 31.22 C ATOM 396 C LEU A 27 -5.966 1.201 4.085 1.00 63.52 C ATOM 397 O LEU A 27 -6.668 0.306 3.643 1.00 11.40 O ATOM 398 CB LEU A 27 -3.461 1.535 3.982 1.00 75.14 C ATOM 399 CG LEU A 27 -2.184 1.997 3.220 1.00 41.54 C ATOM 400 CD1 LEU A 27 -0.931 1.881 4.107 1.00 41.44 C ATOM 401 CD2 LEU A 27 -2.010 1.225 1.897 1.00 22.51 C ATOM 0 H LEU A 27 -4.418 3.804 3.599 1.00 54.14 H new ATOM 0 HA LEU A 27 -4.768 1.276 2.288 1.00 31.22 H new ATOM 0 HB2 LEU A 27 -3.492 2.048 4.943 1.00 75.14 H new ATOM 0 HB3 LEU A 27 -3.369 0.469 4.192 1.00 75.14 H new ATOM 0 HG LEU A 27 -2.313 3.050 2.970 1.00 41.54 H new ATOM 0 HD11 LEU A 27 -0.056 2.211 3.546 1.00 41.44 H new ATOM 0 HD12 LEU A 27 -1.052 2.506 4.991 1.00 41.44 H new ATOM 0 HD13 LEU A 27 -0.796 0.843 4.412 1.00 41.44 H new ATOM 0 HD21 LEU A 27 -1.110 1.571 1.389 1.00 22.51 H new ATOM 0 HD22 LEU A 27 -1.921 0.159 2.107 1.00 22.51 H new ATOM 0 HD23 LEU A 27 -2.876 1.398 1.258 1.00 22.51 H new ATOM 413 N ASP A 28 -6.195 1.800 5.265 1.00 3.24 N ATOM 414 CA ASP A 28 -7.098 1.246 6.296 1.00 64.44 C ATOM 415 C ASP A 28 -8.568 1.199 5.824 1.00 34.23 C ATOM 416 O ASP A 28 -9.315 0.292 6.198 1.00 41.30 O ATOM 417 CB ASP A 28 -6.970 2.064 7.609 1.00 24.53 C ATOM 418 CG ASP A 28 -7.677 1.407 8.809 1.00 11.34 C ATOM 419 OD1 ASP A 28 -7.100 0.465 9.398 1.00 61.32 O ATOM 420 OD2 ASP A 28 -8.805 1.817 9.169 1.00 1.34 O ATOM 0 H ASP A 28 -5.761 2.683 5.534 1.00 3.24 H new ATOM 0 HA ASP A 28 -6.793 0.216 6.482 1.00 64.44 H new ATOM 0 HB2 ASP A 28 -5.914 2.195 7.846 1.00 24.53 H new ATOM 0 HB3 ASP A 28 -7.387 3.059 7.451 1.00 24.53 H new ATOM 425 N THR A 29 -8.955 2.163 4.981 1.00 54.32 N ATOM 426 CA THR A 29 -10.337 2.310 4.499 1.00 34.25 C ATOM 427 C THR A 29 -10.588 1.450 3.245 1.00 1.14 C ATOM 428 O THR A 29 -11.663 0.865 3.104 1.00 5.24 O ATOM 429 CB THR A 29 -10.669 3.810 4.199 1.00 12.33 C ATOM 430 OG1 THR A 29 -9.774 4.329 3.195 1.00 21.42 O ATOM 431 CG2 THR A 29 -10.576 4.679 5.471 1.00 30.43 C ATOM 0 H THR A 29 -8.317 2.867 4.611 1.00 54.32 H new ATOM 0 HA THR A 29 -10.997 1.959 5.292 1.00 34.25 H new ATOM 0 HB THR A 29 -11.695 3.850 3.832 1.00 12.33 H new ATOM 0 HG1 THR A 29 -8.865 4.376 3.559 1.00 21.42 H new ATOM 0 HG21 THR A 29 -10.813 5.714 5.223 1.00 30.43 H new ATOM 0 HG22 THR A 29 -11.284 4.313 6.214 1.00 30.43 H new ATOM 0 HG23 THR A 29 -9.565 4.625 5.875 1.00 30.43 H new ATOM 439 N ARG A 30 -9.588 1.366 2.345 1.00 1.13 N ATOM 440 CA ARG A 30 -9.754 0.697 1.034 1.00 41.31 C ATOM 441 C ARG A 30 -8.995 -0.638 0.973 1.00 35.41 C ATOM 442 O ARG A 30 -9.603 -1.700 0.785 1.00 44.33 O ATOM 443 CB ARG A 30 -9.285 1.624 -0.123 1.00 31.31 C ATOM 444 CG ARG A 30 -9.948 3.029 -0.148 1.00 75.25 C ATOM 445 CD ARG A 30 -9.632 3.824 -1.436 1.00 43.31 C ATOM 446 NE ARG A 30 -10.380 3.314 -2.613 1.00 0.40 N ATOM 447 CZ ARG A 30 -9.892 2.505 -3.577 1.00 2.43 C ATOM 448 NH1 ARG A 30 -8.631 2.072 -3.540 1.00 72.13 N ATOM 449 NH2 ARG A 30 -10.665 2.138 -4.584 1.00 4.32 N ATOM 0 H ARG A 30 -8.657 1.752 2.500 1.00 1.13 H new ATOM 0 HA ARG A 30 -10.817 0.487 0.915 1.00 41.31 H new ATOM 0 HB2 ARG A 30 -8.205 1.750 -0.053 1.00 31.31 H new ATOM 0 HB3 ARG A 30 -9.487 1.127 -1.072 1.00 31.31 H new ATOM 0 HG2 ARG A 30 -11.028 2.917 -0.053 1.00 75.25 H new ATOM 0 HG3 ARG A 30 -9.610 3.600 0.717 1.00 75.25 H new ATOM 0 HD2 ARG A 30 -9.877 4.875 -1.281 1.00 43.31 H new ATOM 0 HD3 ARG A 30 -8.562 3.773 -1.638 1.00 43.31 H new ATOM 0 HE ARG A 30 -11.354 3.602 -2.701 1.00 0.40 H new ATOM 0 HH11 ARG A 30 -8.018 2.352 -2.774 1.00 72.13 H new ATOM 0 HH12 ARG A 30 -8.280 1.461 -4.277 1.00 72.13 H new ATOM 0 HH21 ARG A 30 -11.630 2.466 -4.632 1.00 4.32 H new ATOM 0 HH22 ARG A 30 -10.297 1.527 -5.313 1.00 4.32 H new ATOM 463 N ILE A 31 -7.666 -0.582 1.186 1.00 35.43 N ATOM 464 CA ILE A 31 -6.751 -1.698 0.873 1.00 60.54 C ATOM 465 C ILE A 31 -6.836 -2.817 1.925 1.00 30.11 C ATOM 466 O ILE A 31 -7.146 -3.950 1.573 1.00 62.31 O ATOM 467 CB ILE A 31 -5.266 -1.187 0.733 1.00 34.10 C ATOM 468 CG1 ILE A 31 -5.162 -0.058 -0.339 1.00 35.01 C ATOM 469 CG2 ILE A 31 -4.282 -2.340 0.417 1.00 33.23 C ATOM 470 CD1 ILE A 31 -5.576 -0.449 -1.756 1.00 53.51 C ATOM 0 H ILE A 31 -7.197 0.235 1.578 1.00 35.43 H new ATOM 0 HA ILE A 31 -7.067 -2.115 -0.083 1.00 60.54 H new ATOM 0 HB ILE A 31 -4.978 -0.772 1.699 1.00 34.10 H new ATOM 0 HG12 ILE A 31 -5.780 0.780 -0.018 1.00 35.01 H new ATOM 0 HG13 ILE A 31 -4.132 0.298 -0.366 1.00 35.01 H new ATOM 0 HG21 ILE A 31 -3.271 -1.942 0.329 1.00 33.23 H new ATOM 0 HG22 ILE A 31 -4.314 -3.076 1.221 1.00 33.23 H new ATOM 0 HG23 ILE A 31 -4.568 -2.815 -0.522 1.00 33.23 H new ATOM 0 HD11 ILE A 31 -5.464 0.410 -2.418 1.00 53.51 H new ATOM 0 HD12 ILE A 31 -4.943 -1.263 -2.108 1.00 53.51 H new ATOM 0 HD13 ILE A 31 -6.617 -0.773 -1.755 1.00 53.51 H new ATOM 482 N ARG A 32 -6.565 -2.480 3.214 1.00 14.55 N ATOM 483 CA ARG A 32 -6.566 -3.456 4.332 1.00 52.22 C ATOM 484 C ARG A 32 -7.841 -4.355 4.350 1.00 1.34 C ATOM 485 O ARG A 32 -7.677 -5.567 4.408 1.00 35.12 O ATOM 486 CB ARG A 32 -6.358 -2.775 5.725 1.00 74.31 C ATOM 487 CG ARG A 32 -5.034 -1.999 5.888 1.00 2.22 C ATOM 488 CD ARG A 32 -4.759 -1.580 7.349 1.00 50.13 C ATOM 489 NE ARG A 32 -4.513 -2.754 8.208 1.00 73.33 N ATOM 490 CZ ARG A 32 -4.870 -2.890 9.496 1.00 53.24 C ATOM 491 NH1 ARG A 32 -5.514 -1.925 10.151 1.00 21.42 N ATOM 492 NH2 ARG A 32 -4.587 -4.025 10.119 1.00 4.41 N ATOM 0 H ARG A 32 -6.341 -1.528 3.504 1.00 14.55 H new ATOM 0 HA ARG A 32 -5.709 -4.104 4.146 1.00 52.22 H new ATOM 0 HB2 ARG A 32 -7.186 -2.089 5.903 1.00 74.31 H new ATOM 0 HB3 ARG A 32 -6.408 -3.542 6.497 1.00 74.31 H new ATOM 0 HG2 ARG A 32 -4.210 -2.617 5.531 1.00 2.22 H new ATOM 0 HG3 ARG A 32 -5.060 -1.109 5.259 1.00 2.22 H new ATOM 0 HD2 ARG A 32 -3.896 -0.916 7.382 1.00 50.13 H new ATOM 0 HD3 ARG A 32 -5.609 -1.017 7.734 1.00 50.13 H new ATOM 0 HE ARG A 32 -4.023 -3.541 7.782 1.00 73.33 H new ATOM 0 HH11 ARG A 32 -5.749 -1.054 9.675 1.00 21.42 H new ATOM 0 HH12 ARG A 32 -5.772 -2.057 11.129 1.00 21.42 H new ATOM 0 HH21 ARG A 32 -4.107 -4.774 9.621 1.00 4.41 H new ATOM 0 HH22 ARG A 32 -4.849 -4.149 11.097 1.00 4.41 H new ATOM 506 N PRO A 33 -9.122 -3.800 4.278 1.00 44.41 N ATOM 507 CA PRO A 33 -10.355 -4.645 4.217 1.00 51.31 C ATOM 508 C PRO A 33 -10.321 -5.694 3.073 1.00 12.33 C ATOM 509 O PRO A 33 -10.752 -6.827 3.257 1.00 24.32 O ATOM 510 CB PRO A 33 -11.497 -3.609 4.016 1.00 51.13 C ATOM 511 CG PRO A 33 -10.960 -2.330 4.590 1.00 41.12 C ATOM 512 CD PRO A 33 -9.484 -2.345 4.283 1.00 32.22 C ATOM 0 HA PRO A 33 -10.477 -5.250 5.116 1.00 51.31 H new ATOM 0 HB2 PRO A 33 -11.747 -3.495 2.961 1.00 51.13 H new ATOM 0 HB3 PRO A 33 -12.408 -3.920 4.527 1.00 51.13 H new ATOM 0 HG2 PRO A 33 -11.446 -1.463 4.142 1.00 41.12 H new ATOM 0 HG3 PRO A 33 -11.138 -2.276 5.664 1.00 41.12 H new ATOM 0 HD2 PRO A 33 -9.273 -1.879 3.320 1.00 32.22 H new ATOM 0 HD3 PRO A 33 -8.916 -1.796 5.034 1.00 32.22 H new ATOM 520 N THR A 34 -9.755 -5.294 1.911 1.00 31.11 N ATOM 521 CA THR A 34 -9.643 -6.154 0.712 1.00 42.40 C ATOM 522 C THR A 34 -8.631 -7.302 0.933 1.00 4.31 C ATOM 523 O THR A 34 -8.932 -8.473 0.672 1.00 63.43 O ATOM 524 CB THR A 34 -9.212 -5.298 -0.536 1.00 72.24 C ATOM 525 OG1 THR A 34 -10.122 -4.203 -0.715 1.00 45.32 O ATOM 526 CG2 THR A 34 -9.153 -6.125 -1.834 1.00 64.11 C ATOM 0 H THR A 34 -9.362 -4.362 1.779 1.00 31.11 H new ATOM 0 HA THR A 34 -10.623 -6.594 0.528 1.00 42.40 H new ATOM 0 HB THR A 34 -8.206 -4.930 -0.334 1.00 72.24 H new ATOM 0 HG1 THR A 34 -9.826 -3.440 -0.176 1.00 45.32 H new ATOM 0 HG21 THR A 34 -8.850 -5.483 -2.661 1.00 64.11 H new ATOM 0 HG22 THR A 34 -8.430 -6.933 -1.718 1.00 64.11 H new ATOM 0 HG23 THR A 34 -10.137 -6.546 -2.042 1.00 64.11 H new ATOM 534 N VAL A 35 -7.433 -6.943 1.425 1.00 61.41 N ATOM 535 CA VAL A 35 -6.313 -7.887 1.587 1.00 11.35 C ATOM 536 C VAL A 35 -6.590 -8.875 2.745 1.00 53.03 C ATOM 537 O VAL A 35 -6.178 -10.034 2.689 1.00 11.22 O ATOM 538 CB VAL A 35 -4.947 -7.125 1.813 1.00 4.03 C ATOM 539 CG1 VAL A 35 -3.735 -8.078 1.720 1.00 60.52 C ATOM 540 CG2 VAL A 35 -4.785 -5.970 0.806 1.00 31.23 C ATOM 0 H VAL A 35 -7.214 -5.992 1.721 1.00 61.41 H new ATOM 0 HA VAL A 35 -6.225 -8.459 0.663 1.00 11.35 H new ATOM 0 HB VAL A 35 -4.977 -6.713 2.822 1.00 4.03 H new ATOM 0 HG11 VAL A 35 -2.816 -7.515 1.881 1.00 60.52 H new ATOM 0 HG12 VAL A 35 -3.823 -8.854 2.480 1.00 60.52 H new ATOM 0 HG13 VAL A 35 -3.710 -8.539 0.733 1.00 60.52 H new ATOM 0 HG21 VAL A 35 -3.837 -5.463 0.984 1.00 31.23 H new ATOM 0 HG22 VAL A 35 -4.799 -6.367 -0.209 1.00 31.23 H new ATOM 0 HG23 VAL A 35 -5.604 -5.262 0.930 1.00 31.23 H new ATOM 550 N GLN A 36 -7.335 -8.411 3.770 1.00 10.13 N ATOM 551 CA GLN A 36 -7.767 -9.255 4.910 1.00 45.51 C ATOM 552 C GLN A 36 -8.806 -10.302 4.466 1.00 21.24 C ATOM 553 O GLN A 36 -8.903 -11.378 5.071 1.00 55.20 O ATOM 554 CB GLN A 36 -8.309 -8.376 6.071 1.00 55.23 C ATOM 555 CG GLN A 36 -7.220 -7.525 6.774 1.00 44.41 C ATOM 556 CD GLN A 36 -7.773 -6.527 7.798 1.00 21.13 C ATOM 557 OE1 GLN A 36 -8.804 -6.758 8.428 1.00 32.31 O ATOM 558 NE2 GLN A 36 -7.084 -5.406 7.974 1.00 61.12 N ATOM 0 H GLN A 36 -7.654 -7.444 3.833 1.00 10.13 H new ATOM 0 HA GLN A 36 -6.896 -9.797 5.279 1.00 45.51 H new ATOM 0 HB2 GLN A 36 -9.080 -7.712 5.681 1.00 55.23 H new ATOM 0 HB3 GLN A 36 -8.786 -9.020 6.810 1.00 55.23 H new ATOM 0 HG2 GLN A 36 -6.519 -8.193 7.275 1.00 44.41 H new ATOM 0 HG3 GLN A 36 -6.656 -6.979 6.018 1.00 44.41 H new ATOM 0 HE21 GLN A 36 -6.232 -5.241 7.437 1.00 61.12 H new ATOM 0 HE22 GLN A 36 -7.406 -4.709 8.646 1.00 61.12 H new ATOM 567 N GLU A 37 -9.577 -9.985 3.406 1.00 51.35 N ATOM 568 CA GLU A 37 -10.457 -10.967 2.745 1.00 23.24 C ATOM 569 C GLU A 37 -9.615 -11.979 1.940 1.00 32.32 C ATOM 570 O GLU A 37 -9.945 -13.170 1.881 1.00 61.12 O ATOM 571 CB GLU A 37 -11.480 -10.254 1.819 1.00 42.02 C ATOM 572 CG GLU A 37 -12.503 -9.354 2.544 1.00 63.32 C ATOM 573 CD GLU A 37 -13.502 -10.127 3.425 1.00 1.30 C ATOM 574 OE1 GLU A 37 -14.550 -10.569 2.902 1.00 42.02 O ATOM 575 OE2 GLU A 37 -13.247 -10.311 4.638 1.00 33.44 O ATOM 0 H GLU A 37 -9.607 -9.054 2.990 1.00 51.35 H new ATOM 0 HA GLU A 37 -11.012 -11.505 3.513 1.00 23.24 H new ATOM 0 HB2 GLU A 37 -10.932 -9.647 1.098 1.00 42.02 H new ATOM 0 HB3 GLU A 37 -12.023 -11.011 1.252 1.00 42.02 H new ATOM 0 HG2 GLU A 37 -11.965 -8.637 3.165 1.00 63.32 H new ATOM 0 HG3 GLU A 37 -13.057 -8.780 1.801 1.00 63.32 H new ATOM 582 N ASP A 38 -8.513 -11.485 1.333 1.00 4.23 N ATOM 583 CA ASP A 38 -7.597 -12.314 0.507 1.00 33.50 C ATOM 584 C ASP A 38 -6.723 -13.240 1.392 1.00 52.43 C ATOM 585 O ASP A 38 -6.194 -14.249 0.913 1.00 71.42 O ATOM 586 CB ASP A 38 -6.714 -11.392 -0.391 1.00 13.25 C ATOM 587 CG ASP A 38 -5.924 -12.148 -1.490 1.00 43.10 C ATOM 588 OD1 ASP A 38 -4.781 -12.596 -1.237 1.00 12.13 O ATOM 589 OD2 ASP A 38 -6.450 -12.299 -2.620 1.00 13.00 O ATOM 0 H ASP A 38 -8.232 -10.507 1.399 1.00 4.23 H new ATOM 0 HA ASP A 38 -8.196 -12.958 -0.137 1.00 33.50 H new ATOM 0 HB2 ASP A 38 -7.352 -10.646 -0.865 1.00 13.25 H new ATOM 0 HB3 ASP A 38 -6.009 -10.853 0.242 1.00 13.25 H new ATOM 594 N GLY A 39 -6.590 -12.905 2.687 1.00 32.33 N ATOM 595 CA GLY A 39 -5.867 -13.751 3.648 1.00 51.40 C ATOM 596 C GLY A 39 -4.555 -13.138 4.121 1.00 35.53 C ATOM 597 O GLY A 39 -3.803 -13.787 4.857 1.00 70.04 O ATOM 0 H GLY A 39 -6.975 -12.052 3.092 1.00 32.33 H new ATOM 0 HA2 GLY A 39 -6.506 -13.936 4.511 1.00 51.40 H new ATOM 0 HA3 GLY A 39 -5.664 -14.718 3.189 1.00 51.40 H new ATOM 601 N GLY A 40 -4.270 -11.902 3.681 1.00 44.10 N ATOM 602 CA GLY A 40 -3.096 -11.134 4.128 1.00 1.45 C ATOM 603 C GLY A 40 -3.485 -9.833 4.821 1.00 22.13 C ATOM 604 O GLY A 40 -4.566 -9.739 5.402 1.00 21.22 O ATOM 0 H GLY A 40 -4.849 -11.406 3.003 1.00 44.10 H new ATOM 0 HA2 GLY A 40 -2.504 -11.744 4.811 1.00 1.45 H new ATOM 0 HA3 GLY A 40 -2.463 -10.910 3.270 1.00 1.45 H new ATOM 608 N ASP A 41 -2.588 -8.834 4.750 1.00 15.44 N ATOM 609 CA ASP A 41 -2.806 -7.471 5.289 1.00 22.54 C ATOM 610 C ASP A 41 -1.630 -6.570 4.851 1.00 21.50 C ATOM 611 O ASP A 41 -0.581 -7.082 4.427 1.00 44.51 O ATOM 612 CB ASP A 41 -2.957 -7.485 6.846 1.00 55.24 C ATOM 613 CG ASP A 41 -3.310 -6.116 7.464 1.00 60.34 C ATOM 614 OD1 ASP A 41 -4.203 -5.423 6.927 1.00 63.33 O ATOM 615 OD2 ASP A 41 -2.683 -5.712 8.466 1.00 64.22 O ATOM 0 H ASP A 41 -1.675 -8.948 4.310 1.00 15.44 H new ATOM 0 HA ASP A 41 -3.739 -7.074 4.889 1.00 22.54 H new ATOM 0 HB2 ASP A 41 -3.731 -8.203 7.117 1.00 55.24 H new ATOM 0 HB3 ASP A 41 -2.025 -7.839 7.286 1.00 55.24 H new ATOM 620 N VAL A 42 -1.803 -5.235 4.938 1.00 20.13 N ATOM 621 CA VAL A 42 -0.758 -4.262 4.564 1.00 35.34 C ATOM 622 C VAL A 42 -0.438 -3.353 5.781 1.00 33.21 C ATOM 623 O VAL A 42 -1.319 -2.685 6.334 1.00 62.23 O ATOM 624 CB VAL A 42 -1.148 -3.414 3.283 1.00 72.33 C ATOM 625 CG1 VAL A 42 -1.390 -4.336 2.064 1.00 72.50 C ATOM 626 CG2 VAL A 42 -2.378 -2.508 3.516 1.00 42.31 C ATOM 0 H VAL A 42 -2.667 -4.804 5.268 1.00 20.13 H new ATOM 0 HA VAL A 42 0.140 -4.816 4.289 1.00 35.34 H new ATOM 0 HB VAL A 42 -0.300 -2.760 3.077 1.00 72.33 H new ATOM 0 HG11 VAL A 42 -1.656 -3.731 1.197 1.00 72.50 H new ATOM 0 HG12 VAL A 42 -0.482 -4.900 1.848 1.00 72.50 H new ATOM 0 HG13 VAL A 42 -2.202 -5.028 2.287 1.00 72.50 H new ATOM 0 HG21 VAL A 42 -2.598 -1.952 2.605 1.00 42.31 H new ATOM 0 HG22 VAL A 42 -3.238 -3.123 3.782 1.00 42.31 H new ATOM 0 HG23 VAL A 42 -2.167 -1.809 4.326 1.00 42.31 H new ATOM 636 N ILE A 43 0.826 -3.396 6.233 1.00 15.52 N ATOM 637 CA ILE A 43 1.325 -2.577 7.354 1.00 21.42 C ATOM 638 C ILE A 43 2.196 -1.460 6.766 1.00 32.34 C ATOM 639 O ILE A 43 3.092 -1.738 5.975 1.00 43.35 O ATOM 640 CB ILE A 43 2.191 -3.410 8.397 1.00 65.54 C ATOM 641 CG1 ILE A 43 1.382 -4.568 9.095 1.00 52.14 C ATOM 642 CG2 ILE A 43 2.813 -2.474 9.471 1.00 22.32 C ATOM 643 CD1 ILE A 43 0.976 -5.729 8.202 1.00 63.14 C ATOM 0 H ILE A 43 1.537 -4.005 5.828 1.00 15.52 H new ATOM 0 HA ILE A 43 0.464 -2.187 7.897 1.00 21.42 H new ATOM 0 HB ILE A 43 2.985 -3.882 7.819 1.00 65.54 H new ATOM 0 HG12 ILE A 43 1.982 -4.960 9.916 1.00 52.14 H new ATOM 0 HG13 ILE A 43 0.481 -4.141 9.534 1.00 52.14 H new ATOM 0 HG21 ILE A 43 3.401 -3.066 10.173 1.00 22.32 H new ATOM 0 HG22 ILE A 43 3.458 -1.741 8.986 1.00 22.32 H new ATOM 0 HG23 ILE A 43 2.018 -1.958 10.008 1.00 22.32 H new ATOM 0 HD11 ILE A 43 0.426 -6.464 8.789 1.00 63.14 H new ATOM 0 HD12 ILE A 43 0.343 -5.362 7.394 1.00 63.14 H new ATOM 0 HD13 ILE A 43 1.868 -6.194 7.782 1.00 63.14 H new ATOM 655 N TYR A 44 1.940 -0.205 7.143 1.00 20.11 N ATOM 656 CA TYR A 44 2.739 0.931 6.669 1.00 52.25 C ATOM 657 C TYR A 44 4.056 1.001 7.475 1.00 1.12 C ATOM 658 O TYR A 44 4.035 1.052 8.707 1.00 20.02 O ATOM 659 CB TYR A 44 1.922 2.247 6.776 1.00 23.40 C ATOM 660 CG TYR A 44 2.452 3.450 5.965 1.00 41.31 C ATOM 661 CD1 TYR A 44 3.644 3.408 5.232 1.00 54.35 C ATOM 662 CD2 TYR A 44 1.732 4.634 5.931 1.00 71.41 C ATOM 663 CE1 TYR A 44 4.087 4.497 4.526 1.00 15.30 C ATOM 664 CE2 TYR A 44 2.182 5.721 5.226 1.00 14.50 C ATOM 665 CZ TYR A 44 3.355 5.648 4.520 1.00 21.31 C ATOM 666 OH TYR A 44 3.804 6.744 3.818 1.00 30.23 O ATOM 0 H TYR A 44 1.184 0.052 7.777 1.00 20.11 H new ATOM 0 HA TYR A 44 2.991 0.794 5.617 1.00 52.25 H new ATOM 0 HB2 TYR A 44 0.900 2.042 6.456 1.00 23.40 H new ATOM 0 HB3 TYR A 44 1.875 2.536 7.826 1.00 23.40 H new ATOM 0 HD1 TYR A 44 4.227 2.499 5.222 1.00 54.35 H new ATOM 0 HD2 TYR A 44 0.799 4.702 6.470 1.00 71.41 H new ATOM 0 HE1 TYR A 44 5.015 4.443 3.975 1.00 15.30 H new ATOM 0 HE2 TYR A 44 1.610 6.637 5.227 1.00 14.50 H new ATOM 0 HH TYR A 44 3.860 6.522 2.865 1.00 30.23 H new ATOM 676 N LYS A 45 5.194 0.966 6.754 1.00 13.21 N ATOM 677 CA LYS A 45 6.547 0.990 7.346 1.00 61.32 C ATOM 678 C LYS A 45 7.214 2.366 7.186 1.00 3.31 C ATOM 679 O LYS A 45 7.753 2.905 8.164 1.00 42.21 O ATOM 680 CB LYS A 45 7.415 -0.132 6.705 1.00 11.31 C ATOM 681 CG LYS A 45 7.012 -1.556 7.151 1.00 0.31 C ATOM 682 CD LYS A 45 7.342 -1.816 8.647 1.00 73.20 C ATOM 683 CE LYS A 45 6.778 -3.144 9.162 1.00 64.44 C ATOM 684 NZ LYS A 45 7.256 -3.468 10.537 1.00 63.11 N ATOM 0 H LYS A 45 5.200 0.920 5.735 1.00 13.21 H new ATOM 0 HA LYS A 45 6.459 0.806 8.417 1.00 61.32 H new ATOM 0 HB2 LYS A 45 7.338 -0.065 5.620 1.00 11.31 H new ATOM 0 HB3 LYS A 45 8.461 0.038 6.961 1.00 11.31 H new ATOM 0 HG2 LYS A 45 5.944 -1.698 6.986 1.00 0.31 H new ATOM 0 HG3 LYS A 45 7.531 -2.289 6.533 1.00 0.31 H new ATOM 0 HD2 LYS A 45 8.424 -1.811 8.781 1.00 73.20 H new ATOM 0 HD3 LYS A 45 6.942 -1.000 9.249 1.00 73.20 H new ATOM 0 HE2 LYS A 45 5.689 -3.099 9.160 1.00 64.44 H new ATOM 0 HE3 LYS A 45 7.065 -3.946 8.482 1.00 64.44 H new ATOM 0 HZ1 LYS A 45 7.859 -4.315 10.504 1.00 63.11 H new ATOM 0 HZ2 LYS A 45 7.803 -2.667 10.912 1.00 63.11 H new ATOM 0 HZ3 LYS A 45 6.439 -3.649 11.155 1.00 63.11 H new ATOM 698 N GLY A 46 7.173 2.937 5.965 1.00 34.21 N ATOM 699 CA GLY A 46 7.850 4.225 5.714 1.00 43.02 C ATOM 700 C GLY A 46 7.649 4.770 4.308 1.00 24.13 C ATOM 701 O GLY A 46 6.996 4.137 3.480 1.00 35.25 O ATOM 0 H GLY A 46 6.692 2.540 5.158 1.00 34.21 H new ATOM 0 HA2 GLY A 46 7.487 4.960 6.432 1.00 43.02 H new ATOM 0 HA3 GLY A 46 8.918 4.103 5.895 1.00 43.02 H new ATOM 705 N PHE A 47 8.255 5.944 4.043 1.00 4.24 N ATOM 706 CA PHE A 47 8.098 6.684 2.780 1.00 5.52 C ATOM 707 C PHE A 47 9.375 7.505 2.517 1.00 40.12 C ATOM 708 O PHE A 47 9.718 8.388 3.309 1.00 51.10 O ATOM 709 CB PHE A 47 6.846 7.616 2.843 1.00 25.12 C ATOM 710 CG PHE A 47 6.590 8.414 1.560 1.00 25.35 C ATOM 711 CD1 PHE A 47 6.013 7.806 0.448 1.00 54.31 C ATOM 712 CD2 PHE A 47 6.948 9.760 1.460 1.00 62.31 C ATOM 713 CE1 PHE A 47 5.796 8.516 -0.717 1.00 64.51 C ATOM 714 CE2 PHE A 47 6.735 10.464 0.294 1.00 3.35 C ATOM 715 CZ PHE A 47 6.162 9.842 -0.795 1.00 33.31 C ATOM 0 H PHE A 47 8.873 6.408 4.708 1.00 4.24 H new ATOM 0 HA PHE A 47 7.947 5.979 1.962 1.00 5.52 H new ATOM 0 HB2 PHE A 47 5.967 7.010 3.062 1.00 25.12 H new ATOM 0 HB3 PHE A 47 6.967 8.313 3.672 1.00 25.12 H new ATOM 0 HD1 PHE A 47 5.731 6.765 0.497 1.00 54.31 H new ATOM 0 HD2 PHE A 47 7.398 10.256 2.307 1.00 62.31 H new ATOM 0 HE1 PHE A 47 5.339 8.031 -1.567 1.00 64.51 H new ATOM 0 HE2 PHE A 47 7.017 11.505 0.233 1.00 3.35 H new ATOM 0 HZ PHE A 47 6.000 10.394 -1.709 1.00 33.31 H new ATOM 725 N GLU A 48 10.069 7.210 1.413 1.00 52.03 N ATOM 726 CA GLU A 48 11.306 7.918 1.024 1.00 22.12 C ATOM 727 C GLU A 48 11.364 8.064 -0.504 1.00 51.33 C ATOM 728 O GLU A 48 10.971 7.137 -1.226 1.00 55.21 O ATOM 729 CB GLU A 48 12.550 7.173 1.574 1.00 31.32 C ATOM 730 CG GLU A 48 12.657 5.693 1.152 1.00 0.34 C ATOM 731 CD GLU A 48 13.864 4.979 1.785 1.00 25.32 C ATOM 732 OE1 GLU A 48 14.974 5.025 1.213 1.00 10.32 O ATOM 733 OE2 GLU A 48 13.704 4.372 2.863 1.00 72.23 O ATOM 0 H GLU A 48 9.794 6.476 0.761 1.00 52.03 H new ATOM 0 HA GLU A 48 11.303 8.917 1.459 1.00 22.12 H new ATOM 0 HB2 GLU A 48 13.446 7.697 1.241 1.00 31.32 H new ATOM 0 HB3 GLU A 48 12.536 7.226 2.663 1.00 31.32 H new ATOM 0 HG2 GLU A 48 11.743 5.172 1.436 1.00 0.34 H new ATOM 0 HG3 GLU A 48 12.734 5.634 0.066 1.00 0.34 H new ATOM 740 N ASP A 49 11.875 9.238 -0.964 1.00 64.20 N ATOM 741 CA ASP A 49 11.874 9.679 -2.385 1.00 21.21 C ATOM 742 C ASP A 49 10.432 9.868 -2.893 1.00 21.44 C ATOM 743 O ASP A 49 9.928 10.997 -2.979 1.00 70.41 O ATOM 744 CB ASP A 49 12.693 8.721 -3.306 1.00 52.13 C ATOM 745 CG ASP A 49 14.182 8.657 -2.927 1.00 75.11 C ATOM 746 OD1 ASP A 49 14.557 7.835 -2.059 1.00 61.44 O ATOM 747 OD2 ASP A 49 14.984 9.437 -3.488 1.00 70.42 O ATOM 0 H ASP A 49 12.309 9.920 -0.342 1.00 64.20 H new ATOM 0 HA ASP A 49 12.378 10.645 -2.428 1.00 21.21 H new ATOM 0 HB2 ASP A 49 12.266 7.720 -3.252 1.00 52.13 H new ATOM 0 HB3 ASP A 49 12.600 9.052 -4.340 1.00 52.13 H new ATOM 752 N GLY A 50 9.779 8.744 -3.208 1.00 21.32 N ATOM 753 CA GLY A 50 8.376 8.708 -3.606 1.00 61.32 C ATOM 754 C GLY A 50 7.797 7.313 -3.447 1.00 50.52 C ATOM 755 O GLY A 50 6.708 7.020 -3.934 1.00 13.11 O ATOM 0 H GLY A 50 10.220 7.824 -3.192 1.00 21.32 H new ATOM 0 HA2 GLY A 50 7.805 9.413 -3.001 1.00 61.32 H new ATOM 0 HA3 GLY A 50 8.281 9.028 -4.644 1.00 61.32 H new ATOM 759 N ILE A 51 8.530 6.446 -2.738 1.00 40.15 N ATOM 760 CA ILE A 51 8.201 5.029 -2.623 1.00 52.32 C ATOM 761 C ILE A 51 7.581 4.751 -1.249 1.00 65.21 C ATOM 762 O ILE A 51 8.207 5.003 -0.210 1.00 23.02 O ATOM 763 CB ILE A 51 9.475 4.140 -2.838 1.00 1.21 C ATOM 764 CG1 ILE A 51 10.183 4.489 -4.190 1.00 32.24 C ATOM 765 CG2 ILE A 51 9.122 2.639 -2.771 1.00 53.44 C ATOM 766 CD1 ILE A 51 9.359 4.248 -5.448 1.00 41.34 C ATOM 0 H ILE A 51 9.371 6.714 -2.227 1.00 40.15 H new ATOM 0 HA ILE A 51 7.479 4.775 -3.399 1.00 52.32 H new ATOM 0 HB ILE A 51 10.172 4.356 -2.029 1.00 1.21 H new ATOM 0 HG12 ILE A 51 10.476 5.539 -4.165 1.00 32.24 H new ATOM 0 HG13 ILE A 51 11.100 3.904 -4.261 1.00 32.24 H new ATOM 0 HG21 ILE A 51 10.024 2.046 -2.923 1.00 53.44 H new ATOM 0 HG22 ILE A 51 8.697 2.408 -1.794 1.00 53.44 H new ATOM 0 HG23 ILE A 51 8.396 2.401 -3.548 1.00 53.44 H new ATOM 0 HD11 ILE A 51 9.945 4.523 -6.325 1.00 41.34 H new ATOM 0 HD12 ILE A 51 9.087 3.194 -5.509 1.00 41.34 H new ATOM 0 HD13 ILE A 51 8.454 4.854 -5.412 1.00 41.34 H new ATOM 778 N VAL A 52 6.338 4.253 -1.267 1.00 61.52 N ATOM 779 CA VAL A 52 5.588 3.900 -0.063 1.00 44.35 C ATOM 780 C VAL A 52 5.937 2.455 0.331 1.00 72.43 C ATOM 781 O VAL A 52 5.452 1.499 -0.283 1.00 12.34 O ATOM 782 CB VAL A 52 4.038 4.041 -0.302 1.00 24.12 C ATOM 783 CG1 VAL A 52 3.239 3.825 1.002 1.00 34.52 C ATOM 784 CG2 VAL A 52 3.698 5.405 -0.938 1.00 65.01 C ATOM 0 H VAL A 52 5.822 4.083 -2.130 1.00 61.52 H new ATOM 0 HA VAL A 52 5.862 4.582 0.742 1.00 44.35 H new ATOM 0 HB VAL A 52 3.743 3.258 -1.000 1.00 24.12 H new ATOM 0 HG11 VAL A 52 2.174 3.930 0.798 1.00 34.52 H new ATOM 0 HG12 VAL A 52 3.437 2.825 1.389 1.00 34.52 H new ATOM 0 HG13 VAL A 52 3.541 4.567 1.741 1.00 34.52 H new ATOM 0 HG21 VAL A 52 2.621 5.476 -1.092 1.00 65.01 H new ATOM 0 HG22 VAL A 52 4.023 6.207 -0.275 1.00 65.01 H new ATOM 0 HG23 VAL A 52 4.209 5.497 -1.897 1.00 65.01 H new ATOM 794 N GLN A 53 6.805 2.307 1.334 1.00 41.25 N ATOM 795 CA GLN A 53 7.263 0.998 1.810 1.00 23.42 C ATOM 796 C GLN A 53 6.202 0.373 2.737 1.00 45.03 C ATOM 797 O GLN A 53 5.909 0.906 3.823 1.00 14.13 O ATOM 798 CB GLN A 53 8.636 1.143 2.516 1.00 65.21 C ATOM 799 CG GLN A 53 9.802 1.444 1.545 1.00 14.11 C ATOM 800 CD GLN A 53 11.164 1.602 2.229 1.00 41.54 C ATOM 801 OE1 GLN A 53 11.403 1.062 3.307 1.00 52.31 O ATOM 802 NE2 GLN A 53 12.083 2.299 1.585 1.00 72.23 N ATOM 0 H GLN A 53 7.212 3.093 1.841 1.00 41.25 H new ATOM 0 HA GLN A 53 7.396 0.326 0.963 1.00 23.42 H new ATOM 0 HB2 GLN A 53 8.573 1.943 3.254 1.00 65.21 H new ATOM 0 HB3 GLN A 53 8.855 0.224 3.060 1.00 65.21 H new ATOM 0 HG2 GLN A 53 9.867 0.639 0.813 1.00 14.11 H new ATOM 0 HG3 GLN A 53 9.576 2.358 0.995 1.00 14.11 H new ATOM 0 HE21 GLN A 53 11.858 2.737 0.692 1.00 72.23 H new ATOM 0 HE22 GLN A 53 13.018 2.399 1.981 1.00 72.23 H new ATOM 811 N LEU A 54 5.622 -0.743 2.265 1.00 40.01 N ATOM 812 CA LEU A 54 4.538 -1.475 2.937 1.00 72.33 C ATOM 813 C LEU A 54 4.955 -2.931 3.169 1.00 63.34 C ATOM 814 O LEU A 54 5.511 -3.573 2.272 1.00 0.41 O ATOM 815 CB LEU A 54 3.246 -1.450 2.070 1.00 62.12 C ATOM 816 CG LEU A 54 2.664 -0.044 1.738 1.00 52.54 C ATOM 817 CD1 LEU A 54 1.403 -0.158 0.872 1.00 1.03 C ATOM 818 CD2 LEU A 54 2.383 0.756 3.017 1.00 62.44 C ATOM 0 H LEU A 54 5.902 -1.171 1.383 1.00 40.01 H new ATOM 0 HA LEU A 54 4.340 -0.991 3.893 1.00 72.33 H new ATOM 0 HB2 LEU A 54 3.454 -1.964 1.132 1.00 62.12 H new ATOM 0 HB3 LEU A 54 2.477 -2.025 2.585 1.00 62.12 H new ATOM 0 HG LEU A 54 3.416 0.498 1.164 1.00 52.54 H new ATOM 0 HD11 LEU A 54 1.019 0.839 0.656 1.00 1.03 H new ATOM 0 HD12 LEU A 54 1.648 -0.663 -0.062 1.00 1.03 H new ATOM 0 HD13 LEU A 54 0.645 -0.731 1.406 1.00 1.03 H new ATOM 0 HD21 LEU A 54 1.978 1.733 2.753 1.00 62.44 H new ATOM 0 HD22 LEU A 54 1.662 0.218 3.632 1.00 62.44 H new ATOM 0 HD23 LEU A 54 3.310 0.887 3.575 1.00 62.44 H new ATOM 830 N LYS A 55 4.681 -3.443 4.375 1.00 50.10 N ATOM 831 CA LYS A 55 4.881 -4.851 4.705 1.00 61.21 C ATOM 832 C LYS A 55 3.614 -5.643 4.361 1.00 62.15 C ATOM 833 O LYS A 55 2.570 -5.477 5.007 1.00 23.24 O ATOM 834 CB LYS A 55 5.259 -5.032 6.196 1.00 62.40 C ATOM 835 CG LYS A 55 5.589 -6.498 6.591 1.00 74.12 C ATOM 836 CD LYS A 55 6.159 -6.607 8.021 1.00 44.32 C ATOM 837 CE LYS A 55 6.611 -8.027 8.397 1.00 64.12 C ATOM 838 NZ LYS A 55 7.288 -8.054 9.722 1.00 75.11 N ATOM 0 H LYS A 55 4.314 -2.888 5.148 1.00 50.10 H new ATOM 0 HA LYS A 55 5.712 -5.234 4.113 1.00 61.21 H new ATOM 0 HB2 LYS A 55 6.121 -4.403 6.421 1.00 62.40 H new ATOM 0 HB3 LYS A 55 4.435 -4.677 6.815 1.00 62.40 H new ATOM 0 HG2 LYS A 55 4.686 -7.104 6.515 1.00 74.12 H new ATOM 0 HG3 LYS A 55 6.309 -6.909 5.883 1.00 74.12 H new ATOM 0 HD2 LYS A 55 7.006 -5.928 8.118 1.00 44.32 H new ATOM 0 HD3 LYS A 55 5.401 -6.276 8.731 1.00 44.32 H new ATOM 0 HE2 LYS A 55 5.747 -8.691 8.416 1.00 64.12 H new ATOM 0 HE3 LYS A 55 7.289 -8.408 7.633 1.00 64.12 H new ATOM 0 HZ1 LYS A 55 8.292 -8.292 9.594 1.00 75.11 H new ATOM 0 HZ2 LYS A 55 7.208 -7.120 10.172 1.00 75.11 H new ATOM 0 HZ3 LYS A 55 6.837 -8.769 10.328 1.00 75.11 H new ATOM 852 N LEU A 56 3.714 -6.479 3.323 1.00 74.31 N ATOM 853 CA LEU A 56 2.613 -7.347 2.895 1.00 14.14 C ATOM 854 C LEU A 56 2.655 -8.643 3.734 1.00 4.41 C ATOM 855 O LEU A 56 3.738 -9.154 4.035 1.00 13.54 O ATOM 856 CB LEU A 56 2.725 -7.659 1.371 1.00 72.15 C ATOM 857 CG LEU A 56 2.888 -6.430 0.411 1.00 52.51 C ATOM 858 CD1 LEU A 56 2.898 -6.866 -1.065 1.00 44.41 C ATOM 859 CD2 LEU A 56 1.812 -5.358 0.653 1.00 74.41 C ATOM 0 H LEU A 56 4.558 -6.573 2.757 1.00 74.31 H new ATOM 0 HA LEU A 56 1.659 -6.845 3.054 1.00 14.14 H new ATOM 0 HB2 LEU A 56 3.576 -8.323 1.221 1.00 72.15 H new ATOM 0 HB3 LEU A 56 1.834 -8.210 1.070 1.00 72.15 H new ATOM 0 HG LEU A 56 3.854 -5.981 0.641 1.00 52.51 H new ATOM 0 HD11 LEU A 56 3.012 -5.989 -1.703 1.00 44.41 H new ATOM 0 HD12 LEU A 56 3.729 -7.550 -1.237 1.00 44.41 H new ATOM 0 HD13 LEU A 56 1.960 -7.367 -1.303 1.00 44.41 H new ATOM 0 HD21 LEU A 56 1.966 -4.527 -0.035 1.00 74.41 H new ATOM 0 HD22 LEU A 56 0.825 -5.789 0.486 1.00 74.41 H new ATOM 0 HD23 LEU A 56 1.882 -4.998 1.679 1.00 74.41 H new ATOM 871 N GLN A 57 1.480 -9.149 4.128 1.00 64.30 N ATOM 872 CA GLN A 57 1.351 -10.394 4.932 1.00 0.00 C ATOM 873 C GLN A 57 1.080 -11.610 4.023 1.00 33.34 C ATOM 874 O GLN A 57 0.909 -11.453 2.804 1.00 22.12 O ATOM 875 CB GLN A 57 0.221 -10.230 5.990 1.00 30.24 C ATOM 876 CG GLN A 57 0.556 -9.264 7.147 1.00 52.24 C ATOM 877 CD GLN A 57 1.623 -9.800 8.111 1.00 32.20 C ATOM 878 OE1 GLN A 57 1.738 -11.009 8.325 1.00 23.15 O ATOM 879 NE2 GLN A 57 2.419 -8.915 8.697 1.00 70.33 N ATOM 0 H GLN A 57 0.585 -8.714 3.904 1.00 64.30 H new ATOM 0 HA GLN A 57 2.292 -10.572 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.679 -9.876 5.488 1.00 30.24 H new ATOM 0 HB3 GLN A 57 -0.012 -11.209 6.408 1.00 30.24 H new ATOM 0 HG2 GLN A 57 0.899 -8.317 6.730 1.00 52.24 H new ATOM 0 HG3 GLN A 57 -0.355 -9.054 7.708 1.00 52.24 H new ATOM 0 HE21 GLN A 57 2.305 -7.920 8.504 1.00 70.33 H new ATOM 0 HE22 GLN A 57 3.145 -9.230 9.340 1.00 70.33 H new ATOM 888 N GLY A 58 1.032 -12.812 4.650 1.00 72.40 N ATOM 889 CA GLY A 58 0.881 -14.101 3.951 1.00 20.11 C ATOM 890 C GLY A 58 -0.315 -14.196 3.006 1.00 52.00 C ATOM 891 O GLY A 58 -1.173 -13.309 2.998 1.00 41.23 O ATOM 0 H GLY A 58 1.098 -12.908 5.663 1.00 72.40 H new ATOM 0 HA2 GLY A 58 1.790 -14.295 3.381 1.00 20.11 H new ATOM 0 HA3 GLY A 58 0.798 -14.892 4.696 1.00 20.11 H new ATOM 895 N SER A 59 -0.360 -15.306 2.230 1.00 40.34 N ATOM 896 CA SER A 59 -1.310 -15.540 1.113 1.00 34.41 C ATOM 897 C SER A 59 -0.917 -14.687 -0.108 1.00 22.23 C ATOM 898 O SER A 59 -0.558 -15.231 -1.157 1.00 2.12 O ATOM 899 CB SER A 59 -2.796 -15.318 1.526 1.00 2.40 C ATOM 900 OG SER A 59 -3.094 -16.014 2.727 1.00 42.10 O ATOM 0 H SER A 59 0.282 -16.087 2.367 1.00 40.34 H new ATOM 0 HA SER A 59 -1.238 -16.592 0.836 1.00 34.41 H new ATOM 0 HB2 SER A 59 -2.986 -14.253 1.661 1.00 2.40 H new ATOM 0 HB3 SER A 59 -3.455 -15.661 0.728 1.00 2.40 H new ATOM 0 HG SER A 59 -3.290 -15.369 3.439 1.00 42.10 H new ATOM 906 N CYS A 60 -0.938 -13.353 0.060 1.00 45.13 N ATOM 907 CA CYS A 60 -0.524 -12.394 -0.978 1.00 3.21 C ATOM 908 C CYS A 60 0.968 -12.575 -1.337 1.00 41.24 C ATOM 909 O CYS A 60 1.341 -12.569 -2.517 1.00 71.24 O ATOM 910 CB CYS A 60 -0.786 -10.964 -0.472 1.00 62.03 C ATOM 911 SG CYS A 60 -2.475 -10.701 0.104 1.00 43.22 S ATOM 0 H CYS A 60 -1.245 -12.908 0.925 1.00 45.13 H new ATOM 0 HA CYS A 60 -1.105 -12.575 -1.883 1.00 3.21 H new ATOM 0 HB2 CYS A 60 -0.095 -10.743 0.341 1.00 62.03 H new ATOM 0 HB3 CYS A 60 -0.570 -10.258 -1.274 1.00 62.03 H new ATOM 0 HG CYS A 60 -3.276 -11.517 -0.514 1.00 43.22 H new ATOM 917 N THR A 61 1.805 -12.759 -0.296 1.00 55.44 N ATOM 918 CA THR A 61 3.263 -12.920 -0.442 1.00 4.44 C ATOM 919 C THR A 61 3.651 -14.327 -0.919 1.00 14.43 C ATOM 920 O THR A 61 4.760 -14.530 -1.439 1.00 50.14 O ATOM 921 CB THR A 61 3.981 -12.612 0.902 1.00 71.12 C ATOM 922 OG1 THR A 61 3.477 -13.478 1.930 1.00 51.14 O ATOM 923 CG2 THR A 61 3.776 -11.159 1.324 1.00 63.41 C ATOM 0 H THR A 61 1.486 -12.800 0.672 1.00 55.44 H new ATOM 0 HA THR A 61 3.583 -12.209 -1.204 1.00 4.44 H new ATOM 0 HB THR A 61 5.048 -12.781 0.758 1.00 71.12 H new ATOM 0 HG1 THR A 61 3.933 -13.282 2.775 1.00 51.14 H new ATOM 0 HG21 THR A 61 4.291 -10.978 2.267 1.00 63.41 H new ATOM 0 HG22 THR A 61 4.179 -10.497 0.558 1.00 63.41 H new ATOM 0 HG23 THR A 61 2.711 -10.963 1.449 1.00 63.41 H new ATOM 931 N SER A 62 2.722 -15.282 -0.758 1.00 24.25 N ATOM 932 CA SER A 62 2.949 -16.698 -1.088 1.00 51.45 C ATOM 933 C SER A 62 2.960 -16.926 -2.619 1.00 40.13 C ATOM 934 O SER A 62 3.352 -17.998 -3.088 1.00 21.32 O ATOM 935 CB SER A 62 1.859 -17.553 -0.403 1.00 75.05 C ATOM 936 OG SER A 62 1.803 -17.279 0.993 1.00 33.10 O ATOM 0 H SER A 62 1.788 -15.093 -0.394 1.00 24.25 H new ATOM 0 HA SER A 62 3.929 -16.999 -0.718 1.00 51.45 H new ATOM 0 HB2 SER A 62 0.890 -17.347 -0.858 1.00 75.05 H new ATOM 0 HB3 SER A 62 2.067 -18.611 -0.562 1.00 75.05 H new ATOM 0 HG SER A 62 1.106 -17.829 1.407 1.00 33.10 H new ATOM 942 N CYS A 63 2.536 -15.895 -3.376 1.00 24.35 N ATOM 943 CA CYS A 63 2.469 -15.912 -4.842 1.00 70.50 C ATOM 944 C CYS A 63 3.106 -14.598 -5.399 1.00 73.21 C ATOM 945 O CYS A 63 2.508 -13.525 -5.261 1.00 33.43 O ATOM 946 CB CYS A 63 0.987 -16.104 -5.256 1.00 34.41 C ATOM 947 SG CYS A 63 -0.192 -15.204 -4.226 1.00 53.34 S ATOM 0 H CYS A 63 2.225 -15.011 -2.973 1.00 24.35 H new ATOM 0 HA CYS A 63 3.039 -16.738 -5.268 1.00 70.50 H new ATOM 0 HB2 CYS A 63 0.866 -15.784 -6.291 1.00 34.41 H new ATOM 0 HB3 CYS A 63 0.746 -17.166 -5.221 1.00 34.41 H new ATOM 0 HG CYS A 63 -0.000 -15.511 -2.977 1.00 53.34 H new ATOM 953 N PRO A 64 4.352 -14.674 -6.005 1.00 54.13 N ATOM 954 CA PRO A 64 5.163 -13.477 -6.408 1.00 33.43 C ATOM 955 C PRO A 64 4.452 -12.484 -7.355 1.00 1.40 C ATOM 956 O PRO A 64 4.621 -11.266 -7.211 1.00 2.23 O ATOM 957 CB PRO A 64 6.416 -14.093 -7.082 1.00 41.33 C ATOM 958 CG PRO A 64 6.515 -15.470 -6.495 1.00 13.54 C ATOM 959 CD PRO A 64 5.085 -15.935 -6.328 1.00 53.31 C ATOM 0 HA PRO A 64 5.378 -12.859 -5.536 1.00 33.43 H new ATOM 0 HB2 PRO A 64 6.307 -14.130 -8.166 1.00 41.33 H new ATOM 0 HB3 PRO A 64 7.310 -13.506 -6.871 1.00 41.33 H new ATOM 0 HG2 PRO A 64 7.072 -16.139 -7.151 1.00 13.54 H new ATOM 0 HG3 PRO A 64 7.038 -15.454 -5.539 1.00 13.54 H new ATOM 0 HD2 PRO A 64 4.704 -16.401 -7.237 1.00 53.31 H new ATOM 0 HD3 PRO A 64 4.991 -16.671 -5.530 1.00 53.31 H new ATOM 967 N SER A 65 3.664 -12.994 -8.319 1.00 23.53 N ATOM 968 CA SER A 65 2.938 -12.134 -9.279 1.00 43.31 C ATOM 969 C SER A 65 1.788 -11.377 -8.575 1.00 22.42 C ATOM 970 O SER A 65 1.487 -10.229 -8.928 1.00 14.03 O ATOM 971 CB SER A 65 2.387 -12.969 -10.454 1.00 44.12 C ATOM 972 OG SER A 65 3.417 -13.696 -11.101 1.00 60.35 O ATOM 0 H SER A 65 3.512 -13.993 -8.456 1.00 23.53 H new ATOM 0 HA SER A 65 3.643 -11.403 -9.675 1.00 43.31 H new ATOM 0 HB2 SER A 65 1.628 -13.660 -10.087 1.00 44.12 H new ATOM 0 HB3 SER A 65 1.898 -12.311 -11.172 1.00 44.12 H new ATOM 0 HG SER A 65 3.036 -14.216 -11.839 1.00 60.35 H new ATOM 978 N SER A 66 1.167 -12.033 -7.570 1.00 4.31 N ATOM 979 CA SER A 66 0.062 -11.447 -6.788 1.00 53.21 C ATOM 980 C SER A 66 0.568 -10.284 -5.909 1.00 54.13 C ATOM 981 O SER A 66 -0.177 -9.334 -5.658 1.00 10.10 O ATOM 982 CB SER A 66 -0.615 -12.533 -5.927 1.00 34.32 C ATOM 983 OG SER A 66 -1.807 -12.063 -5.310 1.00 12.23 O ATOM 0 H SER A 66 1.418 -12.979 -7.281 1.00 4.31 H new ATOM 0 HA SER A 66 -0.677 -11.044 -7.480 1.00 53.21 H new ATOM 0 HB2 SER A 66 -0.847 -13.397 -6.550 1.00 34.32 H new ATOM 0 HB3 SER A 66 0.081 -12.872 -5.159 1.00 34.32 H new ATOM 0 HG SER A 66 -2.204 -12.782 -4.776 1.00 12.23 H new ATOM 989 N ILE A 67 1.844 -10.385 -5.456 1.00 52.13 N ATOM 990 CA ILE A 67 2.553 -9.298 -4.751 1.00 53.32 C ATOM 991 C ILE A 67 2.584 -8.035 -5.625 1.00 30.35 C ATOM 992 O ILE A 67 2.179 -6.954 -5.190 1.00 40.12 O ATOM 993 CB ILE A 67 4.039 -9.706 -4.413 1.00 62.41 C ATOM 994 CG1 ILE A 67 4.089 -10.957 -3.488 1.00 54.03 C ATOM 995 CG2 ILE A 67 4.831 -8.527 -3.798 1.00 60.11 C ATOM 996 CD1 ILE A 67 5.491 -11.471 -3.189 1.00 53.20 C ATOM 0 H ILE A 67 2.407 -11.227 -5.572 1.00 52.13 H new ATOM 0 HA ILE A 67 2.015 -9.106 -3.823 1.00 53.32 H new ATOM 0 HB ILE A 67 4.521 -9.969 -5.355 1.00 62.41 H new ATOM 0 HG12 ILE A 67 3.597 -10.716 -2.546 1.00 54.03 H new ATOM 0 HG13 ILE A 67 3.514 -11.758 -3.952 1.00 54.03 H new ATOM 0 HG21 ILE A 67 5.849 -8.848 -3.579 1.00 60.11 H new ATOM 0 HG22 ILE A 67 4.856 -7.697 -4.505 1.00 60.11 H new ATOM 0 HG23 ILE A 67 4.346 -8.204 -2.877 1.00 60.11 H new ATOM 0 HD11 ILE A 67 5.428 -12.343 -2.538 1.00 53.20 H new ATOM 0 HD12 ILE A 67 5.983 -11.749 -4.121 1.00 53.20 H new ATOM 0 HD13 ILE A 67 6.067 -10.690 -2.693 1.00 53.20 H new ATOM 1008 N ILE A 68 3.071 -8.222 -6.868 1.00 2.01 N ATOM 1009 CA ILE A 68 3.274 -7.143 -7.842 1.00 21.14 C ATOM 1010 C ILE A 68 1.935 -6.451 -8.171 1.00 14.14 C ATOM 1011 O ILE A 68 1.845 -5.223 -8.134 1.00 33.41 O ATOM 1012 CB ILE A 68 3.946 -7.702 -9.156 1.00 44.33 C ATOM 1013 CG1 ILE A 68 5.300 -8.422 -8.827 1.00 51.31 C ATOM 1014 CG2 ILE A 68 4.157 -6.584 -10.208 1.00 1.43 C ATOM 1015 CD1 ILE A 68 5.943 -9.149 -10.005 1.00 74.52 C ATOM 0 H ILE A 68 3.336 -9.141 -7.223 1.00 2.01 H new ATOM 0 HA ILE A 68 3.943 -6.404 -7.401 1.00 21.14 H new ATOM 0 HB ILE A 68 3.264 -8.435 -9.588 1.00 44.33 H new ATOM 0 HG12 ILE A 68 6.005 -7.683 -8.446 1.00 51.31 H new ATOM 0 HG13 ILE A 68 5.128 -9.140 -8.026 1.00 51.31 H new ATOM 0 HG21 ILE A 68 4.622 -7.006 -11.099 1.00 1.43 H new ATOM 0 HG22 ILE A 68 3.194 -6.147 -10.473 1.00 1.43 H new ATOM 0 HG23 ILE A 68 4.804 -5.811 -9.793 1.00 1.43 H new ATOM 0 HD11 ILE A 68 6.873 -9.615 -9.681 1.00 74.52 H new ATOM 0 HD12 ILE A 68 5.262 -9.916 -10.375 1.00 74.52 H new ATOM 0 HD13 ILE A 68 6.153 -8.436 -10.802 1.00 74.52 H new ATOM 1027 N THR A 69 0.899 -7.272 -8.438 1.00 43.51 N ATOM 1028 CA THR A 69 -0.447 -6.800 -8.807 1.00 72.33 C ATOM 1029 C THR A 69 -1.116 -6.023 -7.643 1.00 10.11 C ATOM 1030 O THR A 69 -1.752 -4.983 -7.875 1.00 52.21 O ATOM 1031 CB THR A 69 -1.338 -8.006 -9.254 1.00 53.02 C ATOM 1032 OG1 THR A 69 -0.699 -8.694 -10.344 1.00 74.45 O ATOM 1033 CG2 THR A 69 -2.750 -7.582 -9.694 1.00 22.15 C ATOM 0 H THR A 69 0.976 -8.288 -8.403 1.00 43.51 H new ATOM 0 HA THR A 69 -0.345 -6.109 -9.644 1.00 72.33 H new ATOM 0 HB THR A 69 -1.448 -8.656 -8.386 1.00 53.02 H new ATOM 0 HG1 THR A 69 0.033 -9.247 -9.998 1.00 74.45 H new ATOM 0 HG21 THR A 69 -3.318 -8.463 -9.992 1.00 22.15 H new ATOM 0 HG22 THR A 69 -3.256 -7.087 -8.865 1.00 22.15 H new ATOM 0 HG23 THR A 69 -2.677 -6.895 -10.537 1.00 22.15 H new ATOM 1041 N LEU A 70 -0.942 -6.526 -6.397 1.00 42.21 N ATOM 1042 CA LEU A 70 -1.457 -5.864 -5.179 1.00 34.53 C ATOM 1043 C LEU A 70 -0.789 -4.485 -5.009 1.00 51.32 C ATOM 1044 O LEU A 70 -1.472 -3.472 -4.856 1.00 74.40 O ATOM 1045 CB LEU A 70 -1.199 -6.752 -3.927 1.00 72.02 C ATOM 1046 CG LEU A 70 -1.652 -6.159 -2.549 1.00 53.42 C ATOM 1047 CD1 LEU A 70 -3.165 -5.873 -2.527 1.00 53.04 C ATOM 1048 CD2 LEU A 70 -1.236 -7.078 -1.377 1.00 63.14 C ATOM 0 H LEU A 70 -0.444 -7.396 -6.211 1.00 42.21 H new ATOM 0 HA LEU A 70 -2.533 -5.724 -5.282 1.00 34.53 H new ATOM 0 HB2 LEU A 70 -1.708 -7.705 -4.073 1.00 72.02 H new ATOM 0 HB3 LEU A 70 -0.131 -6.965 -3.873 1.00 72.02 H new ATOM 0 HG LEU A 70 -1.138 -5.206 -2.419 1.00 53.42 H new ATOM 0 HD11 LEU A 70 -3.444 -5.463 -1.556 1.00 53.04 H new ATOM 0 HD12 LEU A 70 -3.411 -5.154 -3.309 1.00 53.04 H new ATOM 0 HD13 LEU A 70 -3.713 -6.799 -2.700 1.00 53.04 H new ATOM 0 HD21 LEU A 70 -1.565 -6.638 -0.435 1.00 63.14 H new ATOM 0 HD22 LEU A 70 -1.698 -8.057 -1.501 1.00 63.14 H new ATOM 0 HD23 LEU A 70 -0.151 -7.187 -1.367 1.00 63.14 H new ATOM 1060 N LYS A 71 0.553 -4.493 -5.087 1.00 31.42 N ATOM 1061 CA LYS A 71 1.416 -3.303 -4.984 1.00 44.12 C ATOM 1062 C LYS A 71 1.033 -2.240 -6.036 1.00 65.33 C ATOM 1063 O LYS A 71 1.045 -1.042 -5.745 1.00 13.43 O ATOM 1064 CB LYS A 71 2.905 -3.782 -5.106 1.00 24.42 C ATOM 1065 CG LYS A 71 4.017 -2.698 -5.160 1.00 73.44 C ATOM 1066 CD LYS A 71 4.309 -2.149 -6.588 1.00 61.11 C ATOM 1067 CE LYS A 71 4.720 -3.252 -7.579 1.00 51.43 C ATOM 1068 NZ LYS A 71 5.077 -2.709 -8.908 1.00 13.24 N ATOM 0 H LYS A 71 1.083 -5.353 -5.228 1.00 31.42 H new ATOM 0 HA LYS A 71 1.282 -2.810 -4.021 1.00 44.12 H new ATOM 0 HB2 LYS A 71 3.116 -4.435 -4.259 1.00 24.42 H new ATOM 0 HB3 LYS A 71 2.988 -4.390 -6.007 1.00 24.42 H new ATOM 0 HG2 LYS A 71 3.729 -1.867 -4.516 1.00 73.44 H new ATOM 0 HG3 LYS A 71 4.936 -3.116 -4.749 1.00 73.44 H new ATOM 0 HD2 LYS A 71 3.422 -1.640 -6.965 1.00 61.11 H new ATOM 0 HD3 LYS A 71 5.103 -1.404 -6.531 1.00 61.11 H new ATOM 0 HE2 LYS A 71 5.569 -3.803 -7.174 1.00 51.43 H new ATOM 0 HE3 LYS A 71 3.901 -3.963 -7.688 1.00 51.43 H new ATOM 0 HZ1 LYS A 71 5.640 -3.410 -9.430 1.00 13.24 H new ATOM 0 HZ2 LYS A 71 4.209 -2.496 -9.441 1.00 13.24 H new ATOM 0 HZ3 LYS A 71 5.633 -1.838 -8.789 1.00 13.24 H new ATOM 1082 N ASN A 72 0.691 -2.705 -7.252 1.00 42.32 N ATOM 1083 CA ASN A 72 0.262 -1.840 -8.373 1.00 1.53 C ATOM 1084 C ASN A 72 -1.104 -1.195 -8.093 1.00 71.31 C ATOM 1085 O ASN A 72 -1.308 -0.026 -8.416 1.00 31.22 O ATOM 1086 CB ASN A 72 0.212 -2.648 -9.699 1.00 64.54 C ATOM 1087 CG ASN A 72 1.591 -3.006 -10.265 1.00 23.32 C ATOM 1088 OD1 ASN A 72 2.559 -2.261 -10.105 1.00 63.32 O ATOM 1089 ND2 ASN A 72 1.692 -4.155 -10.923 1.00 30.32 N ATOM 0 H ASN A 72 0.704 -3.697 -7.488 1.00 42.32 H new ATOM 0 HA ASN A 72 0.998 -1.042 -8.474 1.00 1.53 H new ATOM 0 HB2 ASN A 72 -0.350 -3.567 -9.531 1.00 64.54 H new ATOM 0 HB3 ASN A 72 -0.336 -2.071 -10.444 1.00 64.54 H new ATOM 0 HD21 ASN A 72 2.590 -4.442 -11.313 1.00 30.32 H new ATOM 0 HD22 ASN A 72 0.872 -4.750 -11.039 1.00 30.32 H new ATOM 1096 N GLY A 73 -2.027 -1.971 -7.496 1.00 3.23 N ATOM 1097 CA GLY A 73 -3.358 -1.472 -7.147 1.00 42.11 C ATOM 1098 C GLY A 73 -3.303 -0.355 -6.107 1.00 12.31 C ATOM 1099 O GLY A 73 -3.939 0.702 -6.271 1.00 12.12 O ATOM 0 H GLY A 73 -1.869 -2.948 -7.247 1.00 3.23 H new ATOM 0 HA2 GLY A 73 -3.853 -1.105 -8.046 1.00 42.11 H new ATOM 0 HA3 GLY A 73 -3.963 -2.294 -6.763 1.00 42.11 H new ATOM 1103 N ILE A 74 -2.490 -0.595 -5.057 1.00 51.02 N ATOM 1104 CA ILE A 74 -2.231 0.371 -3.977 1.00 60.03 C ATOM 1105 C ILE A 74 -1.575 1.640 -4.555 1.00 14.41 C ATOM 1106 O ILE A 74 -1.939 2.758 -4.195 1.00 12.43 O ATOM 1107 CB ILE A 74 -1.281 -0.244 -2.874 1.00 55.12 C ATOM 1108 CG1 ILE A 74 -1.854 -1.583 -2.305 1.00 22.23 C ATOM 1109 CG2 ILE A 74 -1.026 0.770 -1.734 1.00 53.13 C ATOM 1110 CD1 ILE A 74 -0.915 -2.336 -1.362 1.00 20.25 C ATOM 0 H ILE A 74 -1.991 -1.476 -4.937 1.00 51.02 H new ATOM 0 HA ILE A 74 -3.187 0.620 -3.516 1.00 60.03 H new ATOM 0 HB ILE A 74 -0.328 -0.468 -3.353 1.00 55.12 H new ATOM 0 HG12 ILE A 74 -2.782 -1.368 -1.775 1.00 22.23 H new ATOM 0 HG13 ILE A 74 -2.108 -2.236 -3.140 1.00 22.23 H new ATOM 0 HG21 ILE A 74 -0.369 0.322 -0.988 1.00 53.13 H new ATOM 0 HG22 ILE A 74 -0.555 1.665 -2.141 1.00 53.13 H new ATOM 0 HG23 ILE A 74 -1.974 1.039 -1.268 1.00 53.13 H new ATOM 0 HD11 ILE A 74 -1.400 -3.250 -1.020 1.00 20.25 H new ATOM 0 HD12 ILE A 74 0.005 -2.589 -1.890 1.00 20.25 H new ATOM 0 HD13 ILE A 74 -0.680 -1.707 -0.504 1.00 20.25 H new ATOM 1122 N GLN A 75 -0.612 1.416 -5.467 1.00 34.33 N ATOM 1123 CA GLN A 75 0.173 2.476 -6.109 1.00 23.41 C ATOM 1124 C GLN A 75 -0.728 3.433 -6.904 1.00 71.35 C ATOM 1125 O GLN A 75 -0.736 4.625 -6.634 1.00 11.25 O ATOM 1126 CB GLN A 75 1.239 1.842 -7.031 1.00 61.55 C ATOM 1127 CG GLN A 75 2.216 2.841 -7.675 1.00 31.53 C ATOM 1128 CD GLN A 75 3.180 2.213 -8.681 1.00 22.34 C ATOM 1129 OE1 GLN A 75 3.596 2.864 -9.637 1.00 42.44 O ATOM 1130 NE2 GLN A 75 3.581 0.966 -8.461 1.00 54.23 N ATOM 0 H GLN A 75 -0.357 0.480 -5.780 1.00 34.33 H new ATOM 0 HA GLN A 75 0.668 3.060 -5.333 1.00 23.41 H new ATOM 0 HB2 GLN A 75 1.812 1.116 -6.454 1.00 61.55 H new ATOM 0 HB3 GLN A 75 0.732 1.291 -7.823 1.00 61.55 H new ATOM 0 HG2 GLN A 75 1.643 3.621 -8.176 1.00 31.53 H new ATOM 0 HG3 GLN A 75 2.794 3.326 -6.888 1.00 31.53 H new ATOM 0 HE21 GLN A 75 3.220 0.448 -7.660 1.00 54.23 H new ATOM 0 HE22 GLN A 75 4.250 0.526 -9.093 1.00 54.23 H new ATOM 1139 N ASN A 76 -1.514 2.871 -7.844 1.00 31.31 N ATOM 1140 CA ASN A 76 -2.407 3.644 -8.739 1.00 2.31 C ATOM 1141 C ASN A 76 -3.477 4.413 -7.937 1.00 52.33 C ATOM 1142 O ASN A 76 -3.893 5.507 -8.338 1.00 63.32 O ATOM 1143 CB ASN A 76 -3.069 2.700 -9.780 1.00 52.05 C ATOM 1144 CG ASN A 76 -2.061 2.027 -10.731 1.00 74.45 C ATOM 1145 OD1 ASN A 76 -1.012 2.586 -11.057 1.00 13.30 O ATOM 1146 ND2 ASN A 76 -2.373 0.818 -11.171 1.00 45.11 N ATOM 0 H ASN A 76 -1.549 1.865 -8.007 1.00 31.31 H new ATOM 0 HA ASN A 76 -1.803 4.381 -9.269 1.00 2.31 H new ATOM 0 HB2 ASN A 76 -3.630 1.928 -9.253 1.00 52.05 H new ATOM 0 HB3 ASN A 76 -3.787 3.270 -10.369 1.00 52.05 H new ATOM 0 HD21 ASN A 76 -1.738 0.324 -11.797 1.00 45.11 H new ATOM 0 HD22 ASN A 76 -3.249 0.381 -10.884 1.00 45.11 H new ATOM 1153 N MET A 77 -3.903 3.832 -6.796 1.00 22.42 N ATOM 1154 CA MET A 77 -4.785 4.507 -5.833 1.00 12.23 C ATOM 1155 C MET A 77 -4.084 5.754 -5.253 1.00 72.21 C ATOM 1156 O MET A 77 -4.596 6.876 -5.351 1.00 73.52 O ATOM 1157 CB MET A 77 -5.164 3.539 -4.684 1.00 63.21 C ATOM 1158 CG MET A 77 -6.095 4.139 -3.616 1.00 4.34 C ATOM 1159 SD MET A 77 -6.185 3.131 -2.121 1.00 74.11 S ATOM 1160 CE MET A 77 -4.517 3.288 -1.486 1.00 25.43 C ATOM 0 H MET A 77 -3.644 2.885 -6.521 1.00 22.42 H new ATOM 0 HA MET A 77 -5.693 4.817 -6.351 1.00 12.23 H new ATOM 0 HB2 MET A 77 -5.645 2.660 -5.112 1.00 63.21 H new ATOM 0 HB3 MET A 77 -4.250 3.198 -4.199 1.00 63.21 H new ATOM 0 HG2 MET A 77 -5.745 5.138 -3.355 1.00 4.34 H new ATOM 0 HG3 MET A 77 -7.095 4.251 -4.034 1.00 4.34 H new ATOM 0 HE1 MET A 77 -4.523 3.140 -0.406 1.00 25.43 H new ATOM 0 HE2 MET A 77 -3.878 2.537 -1.952 1.00 25.43 H new ATOM 0 HE3 MET A 77 -4.133 4.282 -1.714 1.00 25.43 H new ATOM 1170 N LEU A 78 -2.876 5.531 -4.692 1.00 72.40 N ATOM 1171 CA LEU A 78 -2.087 6.562 -3.996 1.00 71.23 C ATOM 1172 C LEU A 78 -1.600 7.671 -4.951 1.00 73.42 C ATOM 1173 O LEU A 78 -1.381 8.784 -4.510 1.00 62.40 O ATOM 1174 CB LEU A 78 -0.873 5.918 -3.267 1.00 31.20 C ATOM 1175 CG LEU A 78 -1.193 5.035 -2.021 1.00 44.03 C ATOM 1176 CD1 LEU A 78 0.080 4.363 -1.474 1.00 21.14 C ATOM 1177 CD2 LEU A 78 -1.894 5.860 -0.922 1.00 51.13 C ATOM 0 H LEU A 78 -2.419 4.619 -4.712 1.00 72.40 H new ATOM 0 HA LEU A 78 -2.746 7.027 -3.263 1.00 71.23 H new ATOM 0 HB2 LEU A 78 -0.329 5.307 -3.987 1.00 31.20 H new ATOM 0 HB3 LEU A 78 -0.201 6.717 -2.955 1.00 31.20 H new ATOM 0 HG LEU A 78 -1.877 4.248 -2.340 1.00 44.03 H new ATOM 0 HD11 LEU A 78 -0.174 3.754 -0.606 1.00 21.14 H new ATOM 0 HD12 LEU A 78 0.518 3.730 -2.246 1.00 21.14 H new ATOM 0 HD13 LEU A 78 0.799 5.129 -1.182 1.00 21.14 H new ATOM 0 HD21 LEU A 78 -2.105 5.220 -0.065 1.00 51.13 H new ATOM 0 HD22 LEU A 78 -1.245 6.679 -0.612 1.00 51.13 H new ATOM 0 HD23 LEU A 78 -2.828 6.265 -1.311 1.00 51.13 H new ATOM 1189 N GLN A 79 -1.418 7.343 -6.243 1.00 52.22 N ATOM 1190 CA GLN A 79 -0.945 8.305 -7.265 1.00 42.24 C ATOM 1191 C GLN A 79 -2.096 9.181 -7.778 1.00 33.34 C ATOM 1192 O GLN A 79 -1.869 10.313 -8.223 1.00 11.03 O ATOM 1193 CB GLN A 79 -0.251 7.560 -8.435 1.00 62.50 C ATOM 1194 CG GLN A 79 1.051 6.854 -8.020 1.00 61.21 C ATOM 1195 CD GLN A 79 1.767 6.128 -9.157 1.00 23.21 C ATOM 1196 OE1 GLN A 79 1.144 5.645 -10.098 1.00 14.24 O ATOM 1197 NE2 GLN A 79 3.087 6.045 -9.072 1.00 65.14 N ATOM 0 H GLN A 79 -1.593 6.408 -6.611 1.00 52.22 H new ATOM 0 HA GLN A 79 -0.213 8.963 -6.796 1.00 42.24 H new ATOM 0 HB2 GLN A 79 -0.940 6.823 -8.847 1.00 62.50 H new ATOM 0 HB3 GLN A 79 -0.032 8.272 -9.231 1.00 62.50 H new ATOM 0 HG2 GLN A 79 1.730 7.592 -7.593 1.00 61.21 H new ATOM 0 HG3 GLN A 79 0.825 6.135 -7.232 1.00 61.21 H new ATOM 0 HE21 GLN A 79 3.574 6.458 -8.276 1.00 65.14 H new ATOM 0 HE22 GLN A 79 3.616 5.569 -9.802 1.00 65.14 H new ATOM 1206 N PHE A 80 -3.331 8.647 -7.707 1.00 64.31 N ATOM 1207 CA PHE A 80 -4.548 9.393 -8.073 1.00 71.31 C ATOM 1208 C PHE A 80 -4.794 10.529 -7.058 1.00 24.23 C ATOM 1209 O PHE A 80 -5.190 11.639 -7.431 1.00 65.14 O ATOM 1210 CB PHE A 80 -5.763 8.428 -8.137 1.00 50.43 C ATOM 1211 CG PHE A 80 -7.080 9.077 -8.585 1.00 74.23 C ATOM 1212 CD1 PHE A 80 -7.311 9.358 -9.935 1.00 74.43 C ATOM 1213 CD2 PHE A 80 -8.081 9.414 -7.662 1.00 34.11 C ATOM 1214 CE1 PHE A 80 -8.494 9.942 -10.347 1.00 52.31 C ATOM 1215 CE2 PHE A 80 -9.262 9.998 -8.077 1.00 61.44 C ATOM 1216 CZ PHE A 80 -9.465 10.268 -9.418 1.00 2.24 C ATOM 0 H PHE A 80 -3.511 7.692 -7.396 1.00 64.31 H new ATOM 0 HA PHE A 80 -4.416 9.839 -9.059 1.00 71.31 H new ATOM 0 HB2 PHE A 80 -5.526 7.613 -8.820 1.00 50.43 H new ATOM 0 HB3 PHE A 80 -5.909 7.985 -7.152 1.00 50.43 H new ATOM 0 HD1 PHE A 80 -6.554 9.115 -10.666 1.00 74.43 H new ATOM 0 HD2 PHE A 80 -7.926 9.214 -6.612 1.00 34.11 H new ATOM 0 HE1 PHE A 80 -8.660 10.144 -11.395 1.00 52.31 H new ATOM 0 HE2 PHE A 80 -10.026 10.244 -7.355 1.00 61.44 H new ATOM 0 HZ PHE A 80 -10.384 10.735 -9.740 1.00 2.24 H new ATOM 1226 N TYR A 81 -4.544 10.232 -5.768 1.00 3.51 N ATOM 1227 CA TYR A 81 -4.706 11.213 -4.682 1.00 75.13 C ATOM 1228 C TYR A 81 -3.412 12.046 -4.507 1.00 3.41 C ATOM 1229 O TYR A 81 -3.391 13.253 -4.768 1.00 22.10 O ATOM 1230 CB TYR A 81 -5.086 10.497 -3.355 1.00 65.32 C ATOM 1231 CG TYR A 81 -6.396 9.683 -3.413 1.00 4.31 C ATOM 1232 CD1 TYR A 81 -7.630 10.310 -3.616 1.00 51.44 C ATOM 1233 CD2 TYR A 81 -6.401 8.295 -3.233 1.00 42.04 C ATOM 1234 CE1 TYR A 81 -8.810 9.583 -3.648 1.00 0.32 C ATOM 1235 CE2 TYR A 81 -7.575 7.567 -3.268 1.00 62.33 C ATOM 1236 CZ TYR A 81 -8.776 8.212 -3.471 1.00 73.32 C ATOM 1237 OH TYR A 81 -9.949 7.479 -3.490 1.00 34.15 O ATOM 0 H TYR A 81 -4.227 9.315 -5.453 1.00 3.51 H new ATOM 0 HA TYR A 81 -5.516 11.893 -4.946 1.00 75.13 H new ATOM 0 HB2 TYR A 81 -4.272 9.830 -3.072 1.00 65.32 H new ATOM 0 HB3 TYR A 81 -5.174 11.245 -2.567 1.00 65.32 H new ATOM 0 HD1 TYR A 81 -7.664 11.381 -3.750 1.00 51.44 H new ATOM 0 HD2 TYR A 81 -5.466 7.781 -3.063 1.00 42.04 H new ATOM 0 HE1 TYR A 81 -9.752 10.085 -3.811 1.00 0.32 H new ATOM 0 HE2 TYR A 81 -7.552 6.495 -3.137 1.00 62.33 H new ATOM 0 HH TYR A 81 -9.744 6.531 -3.351 1.00 34.15 H new ATOM 1247 N ILE A 82 -2.332 11.365 -4.087 1.00 41.51 N ATOM 1248 CA ILE A 82 -1.042 11.986 -3.723 1.00 42.41 C ATOM 1249 C ILE A 82 -0.037 11.909 -4.906 1.00 22.11 C ATOM 1250 O ILE A 82 0.330 10.808 -5.327 1.00 12.51 O ATOM 1251 CB ILE A 82 -0.441 11.258 -2.467 1.00 3.23 C ATOM 1252 CG1 ILE A 82 -1.503 11.177 -1.328 1.00 62.23 C ATOM 1253 CG2 ILE A 82 0.853 11.949 -1.979 1.00 44.24 C ATOM 1254 CD1 ILE A 82 -1.091 10.347 -0.136 1.00 4.45 C ATOM 0 H ILE A 82 -2.329 10.350 -3.988 1.00 41.51 H new ATOM 0 HA ILE A 82 -1.217 13.036 -3.489 1.00 42.41 H new ATOM 0 HB ILE A 82 -0.173 10.243 -2.759 1.00 3.23 H new ATOM 0 HG12 ILE A 82 -1.729 12.188 -0.989 1.00 62.23 H new ATOM 0 HG13 ILE A 82 -2.425 10.765 -1.739 1.00 62.23 H new ATOM 0 HG21 ILE A 82 1.242 11.420 -1.109 1.00 44.24 H new ATOM 0 HG22 ILE A 82 1.597 11.933 -2.776 1.00 44.24 H new ATOM 0 HG23 ILE A 82 0.634 12.982 -1.708 1.00 44.24 H new ATOM 0 HD11 ILE A 82 -1.892 10.349 0.603 1.00 4.45 H new ATOM 0 HD12 ILE A 82 -0.895 9.324 -0.456 1.00 4.45 H new ATOM 0 HD13 ILE A 82 -0.188 10.768 0.306 1.00 4.45 H new ATOM 1266 N PRO A 83 0.430 13.073 -5.455 1.00 21.43 N ATOM 1267 CA PRO A 83 1.403 13.107 -6.581 1.00 60.21 C ATOM 1268 C PRO A 83 2.841 12.728 -6.156 1.00 55.42 C ATOM 1269 O PRO A 83 3.694 12.459 -7.015 1.00 1.42 O ATOM 1270 CB PRO A 83 1.328 14.583 -7.092 1.00 65.52 C ATOM 1271 CG PRO A 83 0.163 15.203 -6.361 1.00 34.43 C ATOM 1272 CD PRO A 83 0.041 14.449 -5.059 1.00 61.34 C ATOM 0 HA PRO A 83 1.155 12.372 -7.347 1.00 60.21 H new ATOM 0 HB2 PRO A 83 2.254 15.119 -6.882 1.00 65.52 H new ATOM 0 HB3 PRO A 83 1.178 14.618 -8.171 1.00 65.52 H new ATOM 0 HG2 PRO A 83 0.334 16.265 -6.183 1.00 34.43 H new ATOM 0 HG3 PRO A 83 -0.753 15.122 -6.946 1.00 34.43 H new ATOM 0 HD2 PRO A 83 0.701 14.853 -4.291 1.00 61.34 H new ATOM 0 HD3 PRO A 83 -0.973 14.487 -4.660 1.00 61.34 H new ATOM 1280 N GLU A 84 3.098 12.718 -4.833 1.00 30.31 N ATOM 1281 CA GLU A 84 4.439 12.448 -4.270 1.00 3.30 C ATOM 1282 C GLU A 84 4.828 10.974 -4.460 1.00 61.23 C ATOM 1283 O GLU A 84 6.011 10.642 -4.540 1.00 34.42 O ATOM 1284 CB GLU A 84 4.487 12.826 -2.759 1.00 44.31 C ATOM 1285 CG GLU A 84 3.840 14.185 -2.403 1.00 61.50 C ATOM 1286 CD GLU A 84 4.311 15.356 -3.282 1.00 54.04 C ATOM 1287 OE1 GLU A 84 5.424 15.872 -3.056 1.00 45.42 O ATOM 1288 OE2 GLU A 84 3.567 15.758 -4.213 1.00 61.54 O ATOM 0 H GLU A 84 2.385 12.896 -4.125 1.00 30.31 H new ATOM 0 HA GLU A 84 5.158 13.066 -4.808 1.00 3.30 H new ATOM 0 HB2 GLU A 84 3.988 12.043 -2.188 1.00 44.31 H new ATOM 0 HB3 GLU A 84 5.528 12.841 -2.437 1.00 44.31 H new ATOM 0 HG2 GLU A 84 2.757 14.093 -2.489 1.00 61.50 H new ATOM 0 HG3 GLU A 84 4.058 14.417 -1.361 1.00 61.50 H new ATOM 1295 N VAL A 85 3.803 10.107 -4.524 1.00 73.00 N ATOM 1296 CA VAL A 85 3.973 8.666 -4.682 1.00 31.24 C ATOM 1297 C VAL A 85 4.439 8.331 -6.115 1.00 10.53 C ATOM 1298 O VAL A 85 3.650 8.358 -7.062 1.00 61.24 O ATOM 1299 CB VAL A 85 2.637 7.906 -4.331 1.00 31.55 C ATOM 1300 CG1 VAL A 85 2.786 6.371 -4.477 1.00 14.51 C ATOM 1301 CG2 VAL A 85 2.152 8.287 -2.908 1.00 40.32 C ATOM 0 H VAL A 85 2.827 10.397 -4.466 1.00 73.00 H new ATOM 0 HA VAL A 85 4.743 8.331 -3.987 1.00 31.24 H new ATOM 0 HB VAL A 85 1.881 8.221 -5.050 1.00 31.55 H new ATOM 0 HG11 VAL A 85 1.842 5.888 -4.225 1.00 14.51 H new ATOM 0 HG12 VAL A 85 3.055 6.128 -5.505 1.00 14.51 H new ATOM 0 HG13 VAL A 85 3.566 6.015 -3.804 1.00 14.51 H new ATOM 0 HG21 VAL A 85 1.229 7.753 -2.683 1.00 40.32 H new ATOM 0 HG22 VAL A 85 2.915 8.016 -2.179 1.00 40.32 H new ATOM 0 HG23 VAL A 85 1.971 9.361 -2.861 1.00 40.32 H new ATOM 1311 N GLU A 86 5.748 8.107 -6.261 1.00 10.43 N ATOM 1312 CA GLU A 86 6.354 7.573 -7.492 1.00 25.10 C ATOM 1313 C GLU A 86 6.092 6.057 -7.614 1.00 63.23 C ATOM 1314 O GLU A 86 6.015 5.514 -8.730 1.00 13.34 O ATOM 1315 CB GLU A 86 7.880 7.869 -7.490 1.00 40.01 C ATOM 1316 CG GLU A 86 8.235 9.376 -7.535 1.00 12.33 C ATOM 1317 CD GLU A 86 7.823 10.061 -8.856 1.00 15.21 C ATOM 1318 OE1 GLU A 86 8.583 9.967 -9.852 1.00 10.35 O ATOM 1319 OE2 GLU A 86 6.730 10.672 -8.921 1.00 53.43 O ATOM 0 H GLU A 86 6.427 8.292 -5.523 1.00 10.43 H new ATOM 0 HA GLU A 86 5.899 8.061 -8.354 1.00 25.10 H new ATOM 0 HB2 GLU A 86 8.323 7.430 -6.596 1.00 40.01 H new ATOM 0 HB3 GLU A 86 8.336 7.374 -8.348 1.00 40.01 H new ATOM 0 HG2 GLU A 86 7.746 9.882 -6.703 1.00 12.33 H new ATOM 0 HG3 GLU A 86 9.309 9.494 -7.392 1.00 12.33 H new ATOM 1326 N GLY A 87 5.941 5.383 -6.460 1.00 71.30 N ATOM 1327 CA GLY A 87 5.689 3.941 -6.430 1.00 25.12 C ATOM 1328 C GLY A 87 5.437 3.410 -5.029 1.00 13.32 C ATOM 1329 O GLY A 87 5.360 4.180 -4.068 1.00 10.41 O ATOM 0 H GLY A 87 5.990 5.818 -5.539 1.00 71.30 H new ATOM 0 HA2 GLY A 87 4.827 3.715 -7.058 1.00 25.12 H new ATOM 0 HA3 GLY A 87 6.543 3.420 -6.862 1.00 25.12 H new ATOM 1333 N VAL A 88 5.275 2.081 -4.934 1.00 11.30 N ATOM 1334 CA VAL A 88 5.104 1.335 -3.665 1.00 43.42 C ATOM 1335 C VAL A 88 6.117 0.163 -3.659 1.00 64.20 C ATOM 1336 O VAL A 88 6.459 -0.360 -4.725 1.00 44.32 O ATOM 1337 CB VAL A 88 3.613 0.808 -3.510 1.00 12.33 C ATOM 1338 CG1 VAL A 88 3.436 -0.159 -2.309 1.00 41.21 C ATOM 1339 CG2 VAL A 88 2.619 1.988 -3.395 1.00 34.14 C ATOM 0 H VAL A 88 5.258 1.475 -5.754 1.00 11.30 H new ATOM 0 HA VAL A 88 5.294 1.992 -2.817 1.00 43.42 H new ATOM 0 HB VAL A 88 3.394 0.240 -4.414 1.00 12.33 H new ATOM 0 HG11 VAL A 88 2.397 -0.485 -2.255 1.00 41.21 H new ATOM 0 HG12 VAL A 88 4.082 -1.027 -2.442 1.00 41.21 H new ATOM 0 HG13 VAL A 88 3.704 0.355 -1.386 1.00 41.21 H new ATOM 0 HG21 VAL A 88 1.605 1.601 -3.290 1.00 34.14 H new ATOM 0 HG22 VAL A 88 2.870 2.591 -2.522 1.00 34.14 H new ATOM 0 HG23 VAL A 88 2.681 2.604 -4.292 1.00 34.14 H new ATOM 1349 N GLU A 89 6.605 -0.237 -2.470 1.00 61.21 N ATOM 1350 CA GLU A 89 7.597 -1.330 -2.326 1.00 33.15 C ATOM 1351 C GLU A 89 7.121 -2.328 -1.262 1.00 71.01 C ATOM 1352 O GLU A 89 6.516 -1.928 -0.265 1.00 73.31 O ATOM 1353 CB GLU A 89 8.981 -0.737 -1.939 1.00 24.32 C ATOM 1354 CG GLU A 89 10.128 -1.760 -1.778 1.00 61.00 C ATOM 1355 CD GLU A 89 11.492 -1.100 -1.505 1.00 63.40 C ATOM 1356 OE1 GLU A 89 11.752 -0.698 -0.357 1.00 73.42 O ATOM 1357 OE2 GLU A 89 12.306 -0.962 -2.449 1.00 64.44 O ATOM 0 H GLU A 89 6.327 0.183 -1.583 1.00 61.21 H new ATOM 0 HA GLU A 89 7.697 -1.856 -3.276 1.00 33.15 H new ATOM 0 HB2 GLU A 89 9.270 -0.012 -2.699 1.00 24.32 H new ATOM 0 HB3 GLU A 89 8.872 -0.191 -1.002 1.00 24.32 H new ATOM 0 HG2 GLU A 89 9.889 -2.439 -0.959 1.00 61.00 H new ATOM 0 HG3 GLU A 89 10.198 -2.364 -2.683 1.00 61.00 H new ATOM 1364 N GLN A 90 7.368 -3.627 -1.496 1.00 51.04 N ATOM 1365 CA GLN A 90 7.182 -4.671 -0.484 1.00 3.50 C ATOM 1366 C GLN A 90 8.459 -4.763 0.362 1.00 31.45 C ATOM 1367 O GLN A 90 9.531 -5.074 -0.161 1.00 50.35 O ATOM 1368 CB GLN A 90 6.898 -6.046 -1.136 1.00 4.01 C ATOM 1369 CG GLN A 90 6.768 -7.215 -0.117 1.00 24.14 C ATOM 1370 CD GLN A 90 6.821 -8.605 -0.745 1.00 15.40 C ATOM 1371 OE1 GLN A 90 7.455 -8.815 -1.778 1.00 12.42 O ATOM 1372 NE2 GLN A 90 6.179 -9.571 -0.118 1.00 22.52 N ATOM 0 H GLN A 90 7.702 -3.980 -2.393 1.00 51.04 H new ATOM 0 HA GLN A 90 6.324 -4.410 0.136 1.00 3.50 H new ATOM 0 HB2 GLN A 90 5.977 -5.979 -1.715 1.00 4.01 H new ATOM 0 HB3 GLN A 90 7.700 -6.277 -1.837 1.00 4.01 H new ATOM 0 HG2 GLN A 90 7.568 -7.131 0.619 1.00 24.14 H new ATOM 0 HG3 GLN A 90 5.827 -7.108 0.422 1.00 24.14 H new ATOM 0 HE21 GLN A 90 5.661 -9.368 0.737 1.00 22.52 H new ATOM 0 HE22 GLN A 90 6.200 -10.521 -0.488 1.00 22.52 H new ATOM 1381 N VAL A 91 8.338 -4.458 1.654 1.00 23.43 N ATOM 1382 CA VAL A 91 9.409 -4.652 2.649 1.00 62.50 C ATOM 1383 C VAL A 91 8.920 -5.655 3.701 1.00 72.43 C ATOM 1384 O VAL A 91 7.746 -5.653 4.045 1.00 11.20 O ATOM 1385 CB VAL A 91 9.820 -3.289 3.325 1.00 64.51 C ATOM 1386 CG1 VAL A 91 10.589 -2.391 2.330 1.00 51.31 C ATOM 1387 CG2 VAL A 91 8.589 -2.540 3.889 1.00 60.04 C ATOM 0 H VAL A 91 7.485 -4.064 2.051 1.00 23.43 H new ATOM 0 HA VAL A 91 10.297 -5.040 2.150 1.00 62.50 H new ATOM 0 HB VAL A 91 10.479 -3.525 4.161 1.00 64.51 H new ATOM 0 HG11 VAL A 91 10.862 -1.456 2.820 1.00 51.31 H new ATOM 0 HG12 VAL A 91 11.492 -2.904 1.999 1.00 51.31 H new ATOM 0 HG13 VAL A 91 9.956 -2.178 1.468 1.00 51.31 H new ATOM 0 HG21 VAL A 91 8.911 -1.605 4.348 1.00 60.04 H new ATOM 0 HG22 VAL A 91 7.891 -2.326 3.080 1.00 60.04 H new ATOM 0 HG23 VAL A 91 8.097 -3.161 4.638 1.00 60.04 H new ATOM 1397 N MET A 92 9.805 -6.535 4.179 1.00 13.02 N ATOM 1398 CA MET A 92 9.458 -7.538 5.200 1.00 44.45 C ATOM 1399 C MET A 92 10.613 -7.708 6.201 1.00 21.55 C ATOM 1400 O MET A 92 11.600 -8.410 5.937 1.00 1.44 O ATOM 1401 CB MET A 92 9.044 -8.895 4.543 1.00 30.53 C ATOM 1402 CG MET A 92 10.024 -9.459 3.495 1.00 1.35 C ATOM 1403 SD MET A 92 9.615 -11.140 2.973 1.00 13.01 S ATOM 1404 CE MET A 92 9.797 -12.052 4.509 1.00 11.41 C ATOM 0 H MET A 92 10.777 -6.575 3.874 1.00 13.02 H new ATOM 0 HA MET A 92 8.591 -7.181 5.756 1.00 44.45 H new ATOM 0 HB2 MET A 92 8.919 -9.636 5.332 1.00 30.53 H new ATOM 0 HB3 MET A 92 8.070 -8.766 4.070 1.00 30.53 H new ATOM 0 HG2 MET A 92 10.029 -8.805 2.623 1.00 1.35 H new ATOM 0 HG3 MET A 92 11.033 -9.448 3.907 1.00 1.35 H new ATOM 0 HE1 MET A 92 9.947 -13.109 4.289 1.00 11.41 H new ATOM 0 HE2 MET A 92 10.657 -11.671 5.059 1.00 11.41 H new ATOM 0 HE3 MET A 92 8.898 -11.931 5.113 1.00 11.41 H new ATOM 1414 N ASP A 93 10.500 -7.008 7.339 1.00 55.34 N ATOM 1415 CA ASP A 93 11.411 -7.182 8.475 1.00 2.13 C ATOM 1416 C ASP A 93 11.076 -8.523 9.173 1.00 54.24 C ATOM 1417 O ASP A 93 10.106 -8.634 9.939 1.00 35.42 O ATOM 1418 CB ASP A 93 11.345 -5.951 9.442 1.00 51.44 C ATOM 1419 CG ASP A 93 9.959 -5.691 10.071 1.00 32.14 C ATOM 1420 OD1 ASP A 93 8.995 -5.491 9.313 1.00 60.15 O ATOM 1421 OD2 ASP A 93 9.825 -5.671 11.315 1.00 70.54 O ATOM 0 H ASP A 93 9.776 -6.307 7.496 1.00 55.34 H new ATOM 0 HA ASP A 93 12.444 -7.227 8.130 1.00 2.13 H new ATOM 0 HB2 ASP A 93 12.069 -6.098 10.243 1.00 51.44 H new ATOM 0 HB3 ASP A 93 11.652 -5.060 8.894 1.00 51.44 H new ATOM 1426 N ASP A 94 11.823 -9.569 8.793 1.00 62.31 N ATOM 1427 CA ASP A 94 11.693 -10.911 9.372 1.00 64.44 C ATOM 1428 C ASP A 94 12.362 -10.935 10.765 1.00 23.40 C ATOM 1429 O ASP A 94 13.569 -11.143 10.908 1.00 50.54 O ATOM 1430 CB ASP A 94 12.250 -12.002 8.396 1.00 62.33 C ATOM 1431 CG ASP A 94 13.702 -11.775 7.929 1.00 44.24 C ATOM 1432 OD1 ASP A 94 13.928 -10.835 7.131 1.00 12.35 O ATOM 1433 OD2 ASP A 94 14.620 -12.520 8.348 1.00 4.13 O ATOM 0 H ASP A 94 12.539 -9.506 8.070 1.00 62.31 H new ATOM 0 HA ASP A 94 10.640 -11.154 9.512 1.00 64.44 H new ATOM 0 HB2 ASP A 94 12.189 -12.973 8.887 1.00 62.33 H new ATOM 0 HB3 ASP A 94 11.605 -12.048 7.519 1.00 62.33 H new ATOM 1438 N GLU A 95 11.530 -10.658 11.786 1.00 34.33 N ATOM 1439 CA GLU A 95 11.949 -10.463 13.196 1.00 73.04 C ATOM 1440 C GLU A 95 12.530 -11.750 13.815 1.00 75.23 C ATOM 1441 O GLU A 95 13.344 -11.695 14.745 1.00 23.33 O ATOM 1442 CB GLU A 95 10.721 -9.971 14.008 1.00 20.33 C ATOM 1443 CG GLU A 95 10.042 -8.707 13.419 1.00 32.03 C ATOM 1444 CD GLU A 95 8.662 -8.419 14.024 1.00 34.51 C ATOM 1445 OE1 GLU A 95 7.698 -9.131 13.678 1.00 0.34 O ATOM 1446 OE2 GLU A 95 8.521 -7.480 14.837 1.00 25.30 O ATOM 0 H GLU A 95 10.523 -10.560 11.656 1.00 34.33 H new ATOM 0 HA GLU A 95 12.746 -9.720 13.225 1.00 73.04 H new ATOM 0 HB2 GLU A 95 9.987 -10.775 14.060 1.00 20.33 H new ATOM 0 HB3 GLU A 95 11.035 -9.760 15.030 1.00 20.33 H new ATOM 0 HG2 GLU A 95 10.690 -7.846 13.583 1.00 32.03 H new ATOM 0 HG3 GLU A 95 9.940 -8.828 12.341 1.00 32.03 H new ATOM 1453 N SER A 96 12.104 -12.890 13.268 1.00 0.00 N ATOM 1454 CA SER A 96 12.478 -14.226 13.748 1.00 71.14 C ATOM 1455 C SER A 96 12.659 -15.168 12.531 1.00 11.32 C ATOM 1456 O SER A 96 12.494 -16.383 12.649 1.00 71.12 O ATOM 1457 CB SER A 96 11.366 -14.725 14.714 1.00 35.05 C ATOM 1458 OG SER A 96 11.724 -15.930 15.379 1.00 75.12 O ATOM 0 H SER A 96 11.477 -12.913 12.464 1.00 0.00 H new ATOM 0 HA SER A 96 13.422 -14.205 14.292 1.00 71.14 H new ATOM 0 HB2 SER A 96 11.159 -13.953 15.455 1.00 35.05 H new ATOM 0 HB3 SER A 96 10.445 -14.883 14.152 1.00 35.05 H new ATOM 0 HG SER A 96 12.133 -16.548 14.738 1.00 75.12 H new ATOM 1464 N ASP A 97 13.038 -14.569 11.371 1.00 5.11 N ATOM 1465 CA ASP A 97 13.140 -15.263 10.061 1.00 55.33 C ATOM 1466 C ASP A 97 11.767 -15.870 9.651 1.00 40.13 C ATOM 1467 O ASP A 97 11.551 -17.095 9.814 1.00 41.55 O ATOM 1468 CB ASP A 97 14.287 -16.326 10.045 1.00 74.12 C ATOM 1469 CG ASP A 97 15.691 -15.715 10.119 1.00 12.35 C ATOM 1470 OD1 ASP A 97 16.157 -15.406 11.233 1.00 1.25 O ATOM 1471 OD2 ASP A 97 16.337 -15.547 9.061 1.00 44.33 O ATOM 1472 OXT ASP A 97 10.879 -15.102 9.221 1.00 37.94 O ATOM 0 H ASP A 97 13.284 -13.580 11.320 1.00 5.11 H new ATOM 0 HA ASP A 97 13.408 -14.519 9.311 1.00 55.33 H new ATOM 0 HB2 ASP A 97 14.152 -17.007 10.885 1.00 74.12 H new ATOM 0 HB3 ASP A 97 14.206 -16.922 9.136 1.00 74.12 H new TER 1477 ASP A 97