USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 85 GLN : amide:sc= 0.549 K(o=0.55,f=-3.5!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 GLN : amide:sc= 0 X(o=-6.6,f=-6.6) USER MOD Set 2.2: A 74 GLN : amide:sc= -6.56! C(o=-6.6!,f=-11!) USER MOD Set 3.1: A 55 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.0376 (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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -156:sc= -2.42! (180deg=-4.22!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 111:sc= -2.29! USER MOD Single : A 29 THR OG1 : rot -178:sc= -0.434 USER MOD Single : A 31 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.88) USER MOD Single : A 39 TYR OH : rot -70:sc= -5.01! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -35:sc= 0.535 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.197 K(o=-0.2,f=-1) USER MOD Single : A 72 MET CE :methyl -144:sc= 0 (180deg=-0.455) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.358 1.905 21.668 1.00 0.00 N ATOM 2 CA GLY A 1 -12.206 1.287 22.301 1.00 0.00 C ATOM 3 C GLY A 1 -11.223 0.758 21.254 1.00 0.00 C ATOM 4 O GLY A 1 -11.631 0.329 20.176 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.230 1.509 22.073 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.335 2.932 21.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.335 1.717 20.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.705 2.013 22.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.534 0.469 22.943 1.00 0.00 H new ATOM 8 N SER A 2 -9.947 0.806 21.609 1.00 0.00 N ATOM 9 CA SER A 2 -8.904 0.337 20.714 1.00 0.00 C ATOM 10 C SER A 2 -7.717 -0.189 21.524 1.00 0.00 C ATOM 11 O SER A 2 -7.629 0.046 22.728 1.00 0.00 O ATOM 12 CB SER A 2 -8.448 1.450 19.769 1.00 0.00 C ATOM 13 OG SER A 2 -9.494 1.871 18.896 1.00 0.00 O ATOM 0 H SER A 2 -9.613 1.163 22.504 1.00 0.00 H new ATOM 0 HA SER A 2 -9.311 -0.473 20.109 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.099 2.301 20.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.601 1.100 19.178 1.00 0.00 H new ATOM 0 HG SER A 2 -9.164 2.583 18.310 1.00 0.00 H new ATOM 19 N SER A 3 -6.834 -0.892 20.831 1.00 0.00 N ATOM 20 CA SER A 3 -5.656 -1.454 21.471 1.00 0.00 C ATOM 21 C SER A 3 -4.461 -1.388 20.518 1.00 0.00 C ATOM 22 O SER A 3 -4.348 -2.199 19.601 1.00 0.00 O ATOM 23 CB SER A 3 -5.905 -2.898 21.910 1.00 0.00 C ATOM 24 OG SER A 3 -5.333 -3.173 23.187 1.00 0.00 O ATOM 0 H SER A 3 -6.910 -1.086 19.832 1.00 0.00 H new ATOM 0 HA SER A 3 -5.436 -0.864 22.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.978 -3.087 21.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.485 -3.580 21.170 1.00 0.00 H new ATOM 0 HG SER A 3 -5.515 -4.104 23.433 1.00 0.00 H new ATOM 30 N GLY A 4 -3.598 -0.413 20.769 1.00 0.00 N ATOM 31 CA GLY A 4 -2.415 -0.231 19.945 1.00 0.00 C ATOM 32 C GLY A 4 -1.839 1.176 20.118 1.00 0.00 C ATOM 33 O GLY A 4 -2.479 2.045 20.708 1.00 0.00 O ATOM 0 H GLY A 4 -3.695 0.258 21.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.662 -0.972 20.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.667 -0.399 18.898 1.00 0.00 H new ATOM 37 N SER A 5 -0.636 1.356 19.592 1.00 0.00 N ATOM 38 CA SER A 5 0.034 2.642 19.681 1.00 0.00 C ATOM 39 C SER A 5 0.148 3.270 18.292 1.00 0.00 C ATOM 40 O SER A 5 1.053 2.937 17.527 1.00 0.00 O ATOM 41 CB SER A 5 1.420 2.499 20.314 1.00 0.00 C ATOM 42 OG SER A 5 1.352 2.420 21.736 1.00 0.00 O ATOM 0 H SER A 5 -0.108 0.633 19.103 1.00 0.00 H new ATOM 0 HA SER A 5 -0.562 3.294 20.320 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.906 1.605 19.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.039 3.349 20.027 1.00 0.00 H new ATOM 0 HG SER A 5 2.256 2.328 22.102 1.00 0.00 H new ATOM 48 N SER A 6 -0.783 4.169 18.004 1.00 0.00 N ATOM 49 CA SER A 6 -0.798 4.847 16.720 1.00 0.00 C ATOM 50 C SER A 6 -1.670 6.102 16.800 1.00 0.00 C ATOM 51 O SER A 6 -2.629 6.147 17.569 1.00 0.00 O ATOM 52 CB SER A 6 -1.306 3.919 15.613 1.00 0.00 C ATOM 53 OG SER A 6 -2.636 3.471 15.860 1.00 0.00 O ATOM 0 H SER A 6 -1.532 4.443 18.639 1.00 0.00 H new ATOM 0 HA SER A 6 0.224 5.137 16.475 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.271 4.442 14.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.643 3.058 15.529 1.00 0.00 H new ATOM 0 HG SER A 6 -2.924 2.883 15.131 1.00 0.00 H new ATOM 59 N GLY A 7 -1.304 7.090 15.997 1.00 0.00 N ATOM 60 CA GLY A 7 -2.041 8.342 15.967 1.00 0.00 C ATOM 61 C GLY A 7 -3.549 8.093 16.030 1.00 0.00 C ATOM 62 O GLY A 7 -4.009 6.979 15.780 1.00 0.00 O ATOM 0 H GLY A 7 -0.507 7.049 15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.737 8.967 16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.797 8.890 15.057 1.00 0.00 H new ATOM 66 N SER A 8 -4.278 9.148 16.364 1.00 0.00 N ATOM 67 CA SER A 8 -5.724 9.058 16.462 1.00 0.00 C ATOM 68 C SER A 8 -6.358 9.296 15.089 1.00 0.00 C ATOM 69 O SER A 8 -7.056 8.429 14.565 1.00 0.00 O ATOM 70 CB SER A 8 -6.271 10.060 17.480 1.00 0.00 C ATOM 71 OG SER A 8 -5.971 9.678 18.819 1.00 0.00 O ATOM 0 H SER A 8 -3.893 10.070 16.570 1.00 0.00 H new ATOM 0 HA SER A 8 -5.981 8.056 16.805 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.850 11.045 17.281 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.351 10.145 17.361 1.00 0.00 H new ATOM 0 HG SER A 8 -6.336 10.344 19.439 1.00 0.00 H new ATOM 77 N GLU A 9 -6.092 10.474 14.546 1.00 0.00 N ATOM 78 CA GLU A 9 -6.627 10.837 13.246 1.00 0.00 C ATOM 79 C GLU A 9 -6.134 12.228 12.838 1.00 0.00 C ATOM 80 O GLU A 9 -6.823 13.223 13.055 1.00 0.00 O ATOM 81 CB GLU A 9 -8.155 10.775 13.245 1.00 0.00 C ATOM 82 CG GLU A 9 -8.676 10.106 11.971 1.00 0.00 C ATOM 83 CD GLU A 9 -9.761 10.957 11.309 1.00 0.00 C ATOM 84 OE1 GLU A 9 -9.473 12.147 11.057 1.00 0.00 O ATOM 85 OE2 GLU A 9 -10.853 10.398 11.068 1.00 0.00 O ATOM 0 H GLU A 9 -5.512 11.190 14.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.267 10.116 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.501 10.221 14.118 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.563 11.782 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.853 9.953 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.077 9.121 12.211 1.00 0.00 H new ATOM 92 N GLU A 10 -4.945 12.251 12.254 1.00 0.00 N ATOM 93 CA GLU A 10 -4.353 13.502 11.814 1.00 0.00 C ATOM 94 C GLU A 10 -3.395 13.255 10.645 1.00 0.00 C ATOM 95 O GLU A 10 -2.179 13.330 10.809 1.00 0.00 O ATOM 96 CB GLU A 10 -3.637 14.207 12.969 1.00 0.00 C ATOM 97 CG GLU A 10 -4.423 15.433 13.435 1.00 0.00 C ATOM 98 CD GLU A 10 -4.532 15.467 14.960 1.00 0.00 C ATOM 99 OE1 GLU A 10 -5.503 14.868 15.473 1.00 0.00 O ATOM 100 OE2 GLU A 10 -3.644 16.090 15.580 1.00 0.00 O ATOM 0 H GLU A 10 -4.376 11.423 12.076 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.153 14.158 11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.511 13.514 13.801 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.639 14.509 12.652 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.932 16.340 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.420 15.418 12.996 1.00 0.00 H new ATOM 107 N ASP A 11 -3.982 12.965 9.494 1.00 0.00 N ATOM 108 CA ASP A 11 -3.197 12.707 8.298 1.00 0.00 C ATOM 109 C ASP A 11 -2.374 13.949 7.955 1.00 0.00 C ATOM 110 O ASP A 11 -2.702 15.054 8.386 1.00 0.00 O ATOM 111 CB ASP A 11 -4.100 12.392 7.104 1.00 0.00 C ATOM 112 CG ASP A 11 -5.361 11.593 7.439 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.230 10.358 7.578 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.428 12.236 7.547 1.00 0.00 O ATOM 0 H ASP A 11 -4.992 12.903 9.363 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.551 11.852 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.397 13.330 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.521 11.836 6.367 1.00 0.00 H new ATOM 119 N ASP A 12 -1.321 13.728 7.182 1.00 0.00 N ATOM 120 CA ASP A 12 -0.448 14.817 6.775 1.00 0.00 C ATOM 121 C ASP A 12 -0.472 14.941 5.251 1.00 0.00 C ATOM 122 O ASP A 12 -1.182 14.199 4.575 1.00 0.00 O ATOM 123 CB ASP A 12 0.996 14.554 7.206 1.00 0.00 C ATOM 124 CG ASP A 12 1.658 15.697 7.979 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.836 16.770 7.365 1.00 0.00 O ATOM 126 OD2 ASP A 12 1.970 15.471 9.168 1.00 0.00 O ATOM 0 H ASP A 12 -1.052 12.811 6.826 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.805 15.732 7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.017 13.657 7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.592 14.343 6.318 1.00 0.00 H new ATOM 131 N GLU A 13 0.313 15.886 4.754 1.00 0.00 N ATOM 132 CA GLU A 13 0.392 16.117 3.323 1.00 0.00 C ATOM 133 C GLU A 13 1.133 14.966 2.638 1.00 0.00 C ATOM 134 O GLU A 13 0.940 14.719 1.448 1.00 0.00 O ATOM 135 CB GLU A 13 1.064 17.458 3.019 1.00 0.00 C ATOM 136 CG GLU A 13 0.133 18.625 3.356 1.00 0.00 C ATOM 137 CD GLU A 13 0.268 19.748 2.325 1.00 0.00 C ATOM 138 OE1 GLU A 13 1.374 19.867 1.757 1.00 0.00 O ATOM 139 OE2 GLU A 13 -0.741 20.461 2.127 1.00 0.00 O ATOM 0 H GLU A 13 0.900 16.501 5.318 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.622 16.158 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.986 17.546 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.340 17.500 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.899 18.275 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.368 19.008 4.349 1.00 0.00 H new ATOM 146 N VAL A 14 1.964 14.293 3.419 1.00 0.00 N ATOM 147 CA VAL A 14 2.736 13.174 2.904 1.00 0.00 C ATOM 148 C VAL A 14 1.812 11.969 2.715 1.00 0.00 C ATOM 149 O VAL A 14 1.937 11.234 1.736 1.00 0.00 O ATOM 150 CB VAL A 14 3.918 12.882 3.830 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.443 12.270 5.149 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.942 11.977 3.143 1.00 0.00 C ATOM 0 H VAL A 14 2.120 14.501 4.405 1.00 0.00 H new ATOM 0 HA VAL A 14 3.158 13.417 1.929 1.00 0.00 H new ATOM 0 HB VAL A 14 4.407 13.829 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.303 12.072 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.770 12.965 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.918 11.336 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.772 11.785 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.469 11.033 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.315 12.467 2.244 1.00 0.00 H new ATOM 162 N VAL A 15 0.907 11.803 3.668 1.00 0.00 N ATOM 163 CA VAL A 15 -0.037 10.699 3.618 1.00 0.00 C ATOM 164 C VAL A 15 -1.052 10.950 2.501 1.00 0.00 C ATOM 165 O VAL A 15 -1.322 10.064 1.692 1.00 0.00 O ATOM 166 CB VAL A 15 -0.692 10.509 4.988 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.933 9.619 4.884 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.307 9.941 5.999 1.00 0.00 C ATOM 0 H VAL A 15 0.807 12.414 4.479 1.00 0.00 H new ATOM 0 HA VAL A 15 0.478 9.767 3.385 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.011 11.488 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.379 9.500 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.656 10.081 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.648 8.642 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.184 9.816 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.670 8.975 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.147 10.627 6.105 1.00 0.00 H new ATOM 178 N ALA A 16 -1.585 12.163 2.491 1.00 0.00 N ATOM 179 CA ALA A 16 -2.564 12.542 1.486 1.00 0.00 C ATOM 180 C ALA A 16 -1.999 12.249 0.094 1.00 0.00 C ATOM 181 O ALA A 16 -2.752 12.102 -0.867 1.00 0.00 O ATOM 182 CB ALA A 16 -2.935 14.016 1.666 1.00 0.00 C ATOM 0 H ALA A 16 -1.358 12.896 3.163 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.478 11.959 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.669 14.301 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.358 14.166 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.043 14.632 1.554 1.00 0.00 H new ATOM 188 N MET A 17 -0.678 12.173 0.031 1.00 0.00 N ATOM 189 CA MET A 17 -0.004 11.901 -1.227 1.00 0.00 C ATOM 190 C MET A 17 -0.053 10.409 -1.563 1.00 0.00 C ATOM 191 O MET A 17 -0.576 10.021 -2.607 1.00 0.00 O ATOM 192 CB MET A 17 1.454 12.355 -1.134 1.00 0.00 C ATOM 193 CG MET A 17 1.801 13.321 -2.269 1.00 0.00 C ATOM 194 SD MET A 17 3.524 13.775 -2.180 1.00 0.00 S ATOM 195 CE MET A 17 3.615 14.320 -0.483 1.00 0.00 C ATOM 0 H MET A 17 -0.056 12.295 0.831 1.00 0.00 H new ATOM 0 HA MET A 17 -0.515 12.450 -2.018 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.627 12.840 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.112 11.487 -1.176 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.589 12.855 -3.231 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.178 14.213 -2.202 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.449 15.012 -0.367 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.687 14.823 -0.212 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.765 13.459 0.168 1.00 0.00 H new ATOM 205 N ILE A 18 0.499 9.612 -0.659 1.00 0.00 N ATOM 206 CA ILE A 18 0.525 8.172 -0.847 1.00 0.00 C ATOM 207 C ILE A 18 -0.897 7.671 -1.113 1.00 0.00 C ATOM 208 O ILE A 18 -1.108 6.820 -1.975 1.00 0.00 O ATOM 209 CB ILE A 18 1.206 7.489 0.341 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.707 7.786 0.357 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.919 5.986 0.348 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.172 8.174 1.762 1.00 0.00 C ATOM 0 H ILE A 18 0.932 9.937 0.206 1.00 0.00 H new ATOM 0 HA ILE A 18 1.123 7.912 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 18 0.786 7.901 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.259 6.910 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.929 8.594 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.415 5.525 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.156 5.821 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.294 5.540 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.242 8.380 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.635 9.064 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.970 7.354 2.451 1.00 0.00 H new ATOM 224 N LYS A 19 -1.834 8.220 -0.355 1.00 0.00 N ATOM 225 CA LYS A 19 -3.230 7.840 -0.498 1.00 0.00 C ATOM 226 C LYS A 19 -3.605 7.843 -1.980 1.00 0.00 C ATOM 227 O LYS A 19 -4.055 6.829 -2.512 1.00 0.00 O ATOM 228 CB LYS A 19 -4.120 8.738 0.364 1.00 0.00 C ATOM 229 CG LYS A 19 -4.065 8.315 1.834 1.00 0.00 C ATOM 230 CD LYS A 19 -5.328 8.756 2.579 1.00 0.00 C ATOM 231 CE LYS A 19 -5.470 8.009 3.906 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.822 8.210 4.472 1.00 0.00 N ATOM 0 H LYS A 19 -1.655 8.925 0.360 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.389 6.826 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.798 9.775 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.148 8.689 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.958 7.232 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.187 8.752 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.289 9.829 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.204 8.571 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.288 6.945 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.718 8.362 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.901 7.696 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.982 9.224 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.535 7.851 3.805 1.00 0.00 H new ATOM 246 N GLU A 20 -3.407 8.993 -2.607 1.00 0.00 N ATOM 247 CA GLU A 20 -3.720 9.142 -4.018 1.00 0.00 C ATOM 248 C GLU A 20 -3.011 8.060 -4.834 1.00 0.00 C ATOM 249 O GLU A 20 -3.656 7.297 -5.553 1.00 0.00 O ATOM 250 CB GLU A 20 -3.347 10.539 -4.518 1.00 0.00 C ATOM 251 CG GLU A 20 -4.381 11.057 -5.519 1.00 0.00 C ATOM 252 CD GLU A 20 -3.703 11.581 -6.787 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.553 12.055 -6.660 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.349 11.498 -7.853 1.00 0.00 O ATOM 0 H GLU A 20 -3.033 9.832 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.796 9.022 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.278 11.225 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.364 10.511 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.075 10.257 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.969 11.853 -5.061 1.00 0.00 H new ATOM 261 N LEU A 21 -1.694 8.026 -4.697 1.00 0.00 N ATOM 262 CA LEU A 21 -0.891 7.050 -5.413 1.00 0.00 C ATOM 263 C LEU A 21 -1.389 5.642 -5.078 1.00 0.00 C ATOM 264 O LEU A 21 -1.143 4.698 -5.827 1.00 0.00 O ATOM 265 CB LEU A 21 0.596 7.262 -5.121 1.00 0.00 C ATOM 266 CG LEU A 21 1.507 7.396 -6.344 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.963 7.601 -5.922 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.346 6.197 -7.282 1.00 0.00 C ATOM 0 H LEU A 21 -1.162 8.660 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.003 7.181 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.702 8.161 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.951 6.426 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 21 1.204 8.283 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.589 7.693 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.044 8.509 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.294 6.747 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.004 6.317 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.607 5.282 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.312 6.137 -7.622 1.00 0.00 H new ATOM 280 N LEU A 22 -2.080 5.546 -3.952 1.00 0.00 N ATOM 281 CA LEU A 22 -2.616 4.269 -3.509 1.00 0.00 C ATOM 282 C LEU A 22 -3.967 4.026 -4.184 1.00 0.00 C ATOM 283 O LEU A 22 -4.530 2.938 -4.079 1.00 0.00 O ATOM 284 CB LEU A 22 -2.672 4.214 -1.982 1.00 0.00 C ATOM 285 CG LEU A 22 -1.438 3.636 -1.286 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.701 2.211 -0.796 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.209 3.712 -2.195 1.00 0.00 C ATOM 0 H LEU A 22 -2.281 6.331 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.958 3.454 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.836 5.224 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.540 3.622 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.226 4.245 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.808 1.824 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.530 2.217 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.953 1.575 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.654 3.295 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.395 3.143 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.010 4.753 -2.451 1.00 0.00 H new ATOM 299 N ASP A 23 -4.449 5.058 -4.861 1.00 0.00 N ATOM 300 CA ASP A 23 -5.724 4.970 -5.552 1.00 0.00 C ATOM 301 C ASP A 23 -5.490 5.086 -7.060 1.00 0.00 C ATOM 302 O ASP A 23 -6.172 4.433 -7.849 1.00 0.00 O ATOM 303 CB ASP A 23 -6.658 6.105 -5.130 1.00 0.00 C ATOM 304 CG ASP A 23 -7.969 5.655 -4.480 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.986 4.516 -3.967 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.924 6.461 -4.512 1.00 0.00 O ATOM 0 H ASP A 23 -3.979 5.959 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.181 4.014 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.127 6.752 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.893 6.708 -6.007 1.00 0.00 H new ATOM 311 N THR A 24 -4.525 5.921 -7.414 1.00 0.00 N ATOM 312 CA THR A 24 -4.193 6.131 -8.813 1.00 0.00 C ATOM 313 C THR A 24 -4.337 4.824 -9.598 1.00 0.00 C ATOM 314 O THR A 24 -5.236 4.689 -10.426 1.00 0.00 O ATOM 315 CB THR A 24 -2.786 6.729 -8.881 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.038 5.962 -7.942 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.729 8.155 -8.329 1.00 0.00 C ATOM 0 H THR A 24 -3.962 6.460 -6.756 1.00 0.00 H new ATOM 0 HA THR A 24 -4.883 6.833 -9.282 1.00 0.00 H new ATOM 0 HB THR A 24 -2.439 6.726 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.389 5.403 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.709 8.532 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.394 8.796 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.043 8.154 -7.285 1.00 0.00 H new ATOM 325 N ARG A 25 -3.437 3.896 -9.308 1.00 0.00 N ATOM 326 CA ARG A 25 -3.452 2.605 -9.975 1.00 0.00 C ATOM 327 C ARG A 25 -2.845 1.533 -9.068 1.00 0.00 C ATOM 328 O ARG A 25 -2.155 0.632 -9.543 1.00 0.00 O ATOM 329 CB ARG A 25 -2.670 2.656 -11.289 1.00 0.00 C ATOM 330 CG ARG A 25 -3.510 3.284 -12.403 1.00 0.00 C ATOM 331 CD ARG A 25 -3.128 2.708 -13.768 1.00 0.00 C ATOM 332 NE ARG A 25 -3.236 3.757 -14.808 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.700 3.659 -16.031 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.015 2.560 -16.377 1.00 0.00 N ATOM 335 NH2 ARG A 25 -2.847 4.659 -16.910 1.00 0.00 N ATOM 0 H ARG A 25 -2.693 4.012 -8.620 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.490 2.355 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.755 3.232 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.371 1.648 -11.578 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.568 3.104 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.366 4.364 -12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.110 2.319 -13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.781 1.871 -14.015 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.751 4.607 -14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.902 1.798 -15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.607 2.486 -17.309 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.368 5.496 -16.648 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.438 4.583 -17.841 1.00 0.00 H new ATOM 349 N ILE A 26 -3.123 1.665 -7.780 1.00 0.00 N ATOM 350 CA ILE A 26 -2.613 0.718 -6.803 1.00 0.00 C ATOM 351 C ILE A 26 -3.780 -0.066 -6.200 1.00 0.00 C ATOM 352 O ILE A 26 -3.800 -1.294 -6.250 1.00 0.00 O ATOM 353 CB ILE A 26 -1.749 1.434 -5.762 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.392 1.823 -6.350 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.604 0.589 -4.495 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.521 2.418 -5.275 1.00 0.00 C ATOM 0 H ILE A 26 -3.695 2.414 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.956 -0.007 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.253 2.358 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.082 0.946 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.533 2.546 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.986 1.121 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.589 0.406 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.134 -0.362 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.480 2.686 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.055 3.308 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.680 1.684 -4.485 1.00 0.00 H new ATOM 368 N ARG A 27 -4.726 0.678 -5.644 1.00 0.00 N ATOM 369 CA ARG A 27 -5.894 0.070 -5.031 1.00 0.00 C ATOM 370 C ARG A 27 -6.794 -0.549 -6.104 1.00 0.00 C ATOM 371 O ARG A 27 -7.225 -1.693 -5.973 1.00 0.00 O ATOM 372 CB ARG A 27 -6.697 1.098 -4.233 1.00 0.00 C ATOM 373 CG ARG A 27 -8.200 0.846 -4.369 1.00 0.00 C ATOM 374 CD ARG A 27 -9.002 1.857 -3.548 1.00 0.00 C ATOM 375 NE ARG A 27 -10.153 1.186 -2.903 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.215 1.833 -2.402 1.00 0.00 C ATOM 377 NH1 ARG A 27 -11.279 3.169 -2.469 1.00 0.00 N ATOM 378 NH2 ARG A 27 -12.213 1.142 -1.835 1.00 0.00 N ATOM 0 H ARG A 27 -4.707 1.697 -5.606 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.545 -0.707 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.411 1.052 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.460 2.102 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.490 0.912 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.434 -0.165 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.363 2.311 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.354 2.663 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.137 0.168 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.520 3.695 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.087 3.661 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.164 0.124 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.021 1.634 -1.454 1.00 0.00 H new ATOM 392 N PRO A 28 -7.057 0.257 -7.168 1.00 0.00 N ATOM 393 CA PRO A 28 -7.897 -0.199 -8.262 1.00 0.00 C ATOM 394 C PRO A 28 -7.146 -1.190 -9.155 1.00 0.00 C ATOM 395 O PRO A 28 -7.725 -1.761 -10.077 1.00 0.00 O ATOM 396 CB PRO A 28 -8.309 1.066 -8.995 1.00 0.00 C ATOM 397 CG PRO A 28 -7.316 2.136 -8.570 1.00 0.00 C ATOM 398 CD PRO A 28 -6.564 1.618 -7.357 1.00 0.00 C ATOM 0 HA PRO A 28 -8.774 -0.748 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.285 0.917 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.328 1.354 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.624 2.358 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.834 3.064 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.487 1.629 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.757 2.234 -6.479 1.00 0.00 H new ATOM 406 N THR A 29 -5.869 -1.362 -8.847 1.00 0.00 N ATOM 407 CA THR A 29 -5.033 -2.273 -9.610 1.00 0.00 C ATOM 408 C THR A 29 -4.943 -3.629 -8.907 1.00 0.00 C ATOM 409 O THR A 29 -5.310 -4.655 -9.479 1.00 0.00 O ATOM 410 CB THR A 29 -3.672 -1.605 -9.818 1.00 0.00 C ATOM 411 OG1 THR A 29 -3.958 -0.489 -10.655 1.00 0.00 O ATOM 412 CG2 THR A 29 -2.719 -2.464 -10.652 1.00 0.00 C ATOM 0 H THR A 29 -5.393 -0.886 -8.080 1.00 0.00 H new ATOM 0 HA THR A 29 -5.464 -2.478 -10.590 1.00 0.00 H new ATOM 0 HB THR A 29 -3.218 -1.397 -8.849 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.125 -0.019 -10.869 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.768 -1.944 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.552 -3.416 -10.148 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.157 -2.645 -11.634 1.00 0.00 H new ATOM 420 N VAL A 30 -4.453 -3.591 -7.676 1.00 0.00 N ATOM 421 CA VAL A 30 -4.310 -4.804 -6.890 1.00 0.00 C ATOM 422 C VAL A 30 -5.540 -5.691 -7.100 1.00 0.00 C ATOM 423 O VAL A 30 -5.411 -6.897 -7.305 1.00 0.00 O ATOM 424 CB VAL A 30 -4.074 -4.450 -5.420 1.00 0.00 C ATOM 425 CG1 VAL A 30 -4.008 -5.711 -4.556 1.00 0.00 C ATOM 426 CG2 VAL A 30 -2.808 -3.607 -5.257 1.00 0.00 C ATOM 0 H VAL A 30 -4.150 -2.739 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.439 -5.371 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.920 -3.854 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.840 -5.431 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.948 -6.257 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.190 -6.344 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.663 -3.369 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.948 -4.167 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.910 -2.684 -5.827 1.00 0.00 H new ATOM 436 N GLN A 31 -6.702 -5.059 -7.042 1.00 0.00 N ATOM 437 CA GLN A 31 -7.953 -5.776 -7.224 1.00 0.00 C ATOM 438 C GLN A 31 -7.892 -6.637 -8.487 1.00 0.00 C ATOM 439 O GLN A 31 -8.137 -7.842 -8.433 1.00 0.00 O ATOM 440 CB GLN A 31 -9.137 -4.807 -7.278 1.00 0.00 C ATOM 441 CG GLN A 31 -9.332 -4.105 -5.933 1.00 0.00 C ATOM 442 CD GLN A 31 -10.118 -2.803 -6.103 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.054 -2.710 -6.879 1.00 0.00 O ATOM 444 NE2 GLN A 31 -9.685 -1.806 -5.336 1.00 0.00 N ATOM 0 H GLN A 31 -6.804 -4.059 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.101 -6.433 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.969 -4.065 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.044 -5.350 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.861 -4.766 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.361 -3.892 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.895 -1.952 -4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.143 -0.896 -5.376 1.00 0.00 H new ATOM 453 N GLU A 32 -7.565 -5.988 -9.594 1.00 0.00 N ATOM 454 CA GLU A 32 -7.468 -6.679 -10.868 1.00 0.00 C ATOM 455 C GLU A 32 -6.688 -7.985 -10.705 1.00 0.00 C ATOM 456 O GLU A 32 -7.002 -8.985 -11.350 1.00 0.00 O ATOM 457 CB GLU A 32 -6.826 -5.785 -11.930 1.00 0.00 C ATOM 458 CG GLU A 32 -7.873 -5.273 -12.921 1.00 0.00 C ATOM 459 CD GLU A 32 -7.221 -4.861 -14.243 1.00 0.00 C ATOM 460 OE1 GLU A 32 -6.250 -4.076 -14.176 1.00 0.00 O ATOM 461 OE2 GLU A 32 -7.709 -5.339 -15.289 1.00 0.00 O ATOM 0 H GLU A 32 -7.363 -4.989 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.476 -6.920 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.331 -4.941 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.057 -6.343 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.616 -6.049 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.401 -4.422 -12.491 1.00 0.00 H new ATOM 468 N ASP A 33 -5.686 -7.935 -9.840 1.00 0.00 N ATOM 469 CA ASP A 33 -4.859 -9.101 -9.584 1.00 0.00 C ATOM 470 C ASP A 33 -5.551 -9.997 -8.555 1.00 0.00 C ATOM 471 O ASP A 33 -5.761 -11.183 -8.801 1.00 0.00 O ATOM 472 CB ASP A 33 -3.496 -8.697 -9.017 1.00 0.00 C ATOM 473 CG ASP A 33 -2.302 -9.456 -9.599 1.00 0.00 C ATOM 474 OD1 ASP A 33 -2.220 -9.517 -10.844 1.00 0.00 O ATOM 475 OD2 ASP A 33 -1.498 -9.959 -8.784 1.00 0.00 O ATOM 0 H ASP A 33 -5.428 -7.104 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.716 -9.625 -10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.349 -7.631 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.510 -8.845 -7.937 1.00 0.00 H new ATOM 480 N GLY A 34 -5.886 -9.395 -7.423 1.00 0.00 N ATOM 481 CA GLY A 34 -6.551 -10.123 -6.357 1.00 0.00 C ATOM 482 C GLY A 34 -5.995 -9.721 -4.989 1.00 0.00 C ATOM 483 O GLY A 34 -5.094 -10.374 -4.464 1.00 0.00 O ATOM 0 H GLY A 34 -5.709 -8.411 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.622 -9.926 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.419 -11.195 -6.506 1.00 0.00 H new ATOM 487 N GLY A 35 -6.555 -8.647 -4.451 1.00 0.00 N ATOM 488 CA GLY A 35 -6.126 -8.150 -3.155 1.00 0.00 C ATOM 489 C GLY A 35 -6.577 -6.703 -2.946 1.00 0.00 C ATOM 490 O GLY A 35 -6.776 -5.967 -3.911 1.00 0.00 O ATOM 0 H GLY A 35 -7.302 -8.108 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.536 -8.780 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.040 -8.211 -3.079 1.00 0.00 H new ATOM 494 N ASP A 36 -6.724 -6.339 -1.680 1.00 0.00 N ATOM 495 CA ASP A 36 -7.147 -4.993 -1.333 1.00 0.00 C ATOM 496 C ASP A 36 -6.033 -4.301 -0.545 1.00 0.00 C ATOM 497 O ASP A 36 -5.575 -4.816 0.473 1.00 0.00 O ATOM 498 CB ASP A 36 -8.400 -5.018 -0.457 1.00 0.00 C ATOM 499 CG ASP A 36 -9.193 -3.710 -0.422 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.837 -2.810 -1.214 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.135 -3.638 0.395 1.00 0.00 O ATOM 0 H ASP A 36 -6.558 -6.953 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.365 -4.459 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.056 -5.813 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.108 -5.275 0.561 1.00 0.00 H new ATOM 506 N VAL A 37 -5.630 -3.143 -1.047 1.00 0.00 N ATOM 507 CA VAL A 37 -4.578 -2.373 -0.402 1.00 0.00 C ATOM 508 C VAL A 37 -5.200 -1.434 0.633 1.00 0.00 C ATOM 509 O VAL A 37 -6.105 -0.665 0.314 1.00 0.00 O ATOM 510 CB VAL A 37 -3.748 -1.637 -1.455 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.495 -0.408 -1.980 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.376 -1.249 -0.900 1.00 0.00 C ATOM 0 H VAL A 37 -6.012 -2.719 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.893 -3.033 0.129 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.590 -2.317 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.884 0.098 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.436 -0.720 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.698 0.275 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.807 -0.727 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.504 -0.595 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.838 -2.148 -0.598 1.00 0.00 H new ATOM 522 N ILE A 38 -4.689 -1.528 1.852 1.00 0.00 N ATOM 523 CA ILE A 38 -5.184 -0.696 2.937 1.00 0.00 C ATOM 524 C ILE A 38 -3.998 -0.100 3.697 1.00 0.00 C ATOM 525 O ILE A 38 -3.439 -0.743 4.585 1.00 0.00 O ATOM 526 CB ILE A 38 -6.147 -1.489 3.822 1.00 0.00 C ATOM 527 CG1 ILE A 38 -6.611 -2.767 3.122 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.325 -0.618 4.266 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.525 -2.443 1.938 1.00 0.00 C ATOM 0 H ILE A 38 -3.938 -2.167 2.113 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.764 0.140 2.544 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.612 -1.793 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.745 -3.330 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.141 -3.403 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.995 -1.205 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.953 0.236 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.867 -0.264 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.841 -3.369 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.402 -1.901 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.985 -1.828 1.219 1.00 0.00 H new ATOM 541 N TYR A 39 -3.649 1.121 3.322 1.00 0.00 N ATOM 542 CA TYR A 39 -2.541 1.812 3.958 1.00 0.00 C ATOM 543 C TYR A 39 -2.898 2.225 5.387 1.00 0.00 C ATOM 544 O TYR A 39 -3.631 3.191 5.592 1.00 0.00 O ATOM 545 CB TYR A 39 -2.292 3.070 3.122 1.00 0.00 C ATOM 546 CG TYR A 39 -1.522 4.166 3.862 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.698 3.837 4.920 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.650 5.483 3.472 1.00 0.00 C ATOM 549 CE1 TYR A 39 0.027 4.868 5.616 1.00 0.00 C ATOM 550 CE2 TYR A 39 -0.926 6.514 4.168 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.123 6.156 5.205 1.00 0.00 C ATOM 552 OH TYR A 39 0.562 7.130 5.863 1.00 0.00 O ATOM 0 H TYR A 39 -4.115 1.650 2.585 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.665 1.165 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.738 2.794 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.251 3.472 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.597 2.806 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.294 5.741 2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.675 4.624 6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.019 7.549 3.873 1.00 0.00 H new ATOM 0 HH TYR A 39 0.186 7.245 6.761 1.00 0.00 H new ATOM 562 N ARG A 40 -2.365 1.472 6.338 1.00 0.00 N ATOM 563 CA ARG A 40 -2.619 1.749 7.741 1.00 0.00 C ATOM 564 C ARG A 40 -1.302 1.820 8.515 1.00 0.00 C ATOM 565 O ARG A 40 -0.801 0.801 8.990 1.00 0.00 O ATOM 566 CB ARG A 40 -3.510 0.671 8.362 1.00 0.00 C ATOM 567 CG ARG A 40 -4.641 0.279 7.410 1.00 0.00 C ATOM 568 CD ARG A 40 -5.775 1.306 7.453 1.00 0.00 C ATOM 569 NE ARG A 40 -6.038 1.827 6.093 1.00 0.00 N ATOM 570 CZ ARG A 40 -6.855 2.855 5.828 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.493 3.479 6.826 1.00 0.00 N ATOM 572 NH2 ARG A 40 -7.034 3.260 4.562 1.00 0.00 N ATOM 0 H ARG A 40 -1.758 0.671 6.164 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.132 2.709 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.911 -0.207 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.929 1.036 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.255 0.201 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.025 -0.704 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.678 0.847 7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.509 2.126 8.120 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.568 1.375 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.357 3.172 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.115 4.262 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.548 2.785 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.656 4.043 4.360 1.00 0.00 H new ATOM 586 N GLY A 41 -0.777 3.032 8.618 1.00 0.00 N ATOM 587 CA GLY A 41 0.473 3.249 9.327 1.00 0.00 C ATOM 588 C GLY A 41 1.617 3.522 8.348 1.00 0.00 C ATOM 589 O GLY A 41 1.726 2.862 7.316 1.00 0.00 O ATOM 0 H GLY A 41 -1.194 3.874 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.366 4.091 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.709 2.374 9.933 1.00 0.00 H new ATOM 593 N PHE A 42 2.441 4.496 8.708 1.00 0.00 N ATOM 594 CA PHE A 42 3.573 4.864 7.875 1.00 0.00 C ATOM 595 C PHE A 42 4.783 5.244 8.730 1.00 0.00 C ATOM 596 O PHE A 42 4.785 6.288 9.380 1.00 0.00 O ATOM 597 CB PHE A 42 3.144 6.079 7.050 1.00 0.00 C ATOM 598 CG PHE A 42 4.193 6.545 6.037 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.335 7.147 6.468 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.983 6.357 4.707 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.308 7.579 5.529 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.956 6.790 3.768 1.00 0.00 C ATOM 603 CZ PHE A 42 6.098 7.392 4.198 1.00 0.00 C ATOM 0 H PHE A 42 2.347 5.041 9.565 1.00 0.00 H new ATOM 0 HA PHE A 42 3.859 4.023 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.223 5.838 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.916 6.903 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.501 7.296 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.077 5.879 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.215 8.056 5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.790 6.641 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.837 7.721 3.483 1.00 0.00 H new ATOM 613 N GLU A 43 5.783 4.375 8.703 1.00 0.00 N ATOM 614 CA GLU A 43 6.996 4.605 9.468 1.00 0.00 C ATOM 615 C GLU A 43 8.217 4.110 8.691 1.00 0.00 C ATOM 616 O GLU A 43 8.140 3.109 7.979 1.00 0.00 O ATOM 617 CB GLU A 43 6.913 3.938 10.842 1.00 0.00 C ATOM 618 CG GLU A 43 6.735 4.978 11.949 1.00 0.00 C ATOM 619 CD GLU A 43 7.371 4.503 13.257 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.605 4.668 13.380 1.00 0.00 O ATOM 621 OE2 GLU A 43 6.610 3.988 14.104 1.00 0.00 O ATOM 0 H GLU A 43 5.777 3.510 8.163 1.00 0.00 H new ATOM 0 HA GLU A 43 7.103 5.678 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.078 3.237 10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.819 3.360 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.187 5.921 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.673 5.169 12.105 1.00 0.00 H new ATOM 628 N ASP A 44 9.315 4.834 8.851 1.00 0.00 N ATOM 629 CA ASP A 44 10.550 4.481 8.172 1.00 0.00 C ATOM 630 C ASP A 44 10.282 4.349 6.672 1.00 0.00 C ATOM 631 O ASP A 44 11.056 3.719 5.952 1.00 0.00 O ATOM 632 CB ASP A 44 11.091 3.141 8.675 1.00 0.00 C ATOM 633 CG ASP A 44 11.875 3.212 9.987 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.375 4.316 10.291 1.00 0.00 O ATOM 635 OD2 ASP A 44 11.957 2.160 10.656 1.00 0.00 O ATOM 0 H ASP A 44 9.375 5.664 9.441 1.00 0.00 H new ATOM 0 HA ASP A 44 11.281 5.264 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.254 2.455 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.736 2.715 7.906 1.00 0.00 H new ATOM 640 N GLY A 45 9.185 4.954 6.243 1.00 0.00 N ATOM 641 CA GLY A 45 8.806 4.912 4.841 1.00 0.00 C ATOM 642 C GLY A 45 7.987 3.658 4.531 1.00 0.00 C ATOM 643 O GLY A 45 7.055 3.703 3.729 1.00 0.00 O ATOM 0 H GLY A 45 8.546 5.477 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.226 5.800 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.700 4.929 4.218 1.00 0.00 H new ATOM 647 N ILE A 46 8.363 2.568 5.184 1.00 0.00 N ATOM 648 CA ILE A 46 7.676 1.304 4.989 1.00 0.00 C ATOM 649 C ILE A 46 6.178 1.500 5.231 1.00 0.00 C ATOM 650 O ILE A 46 5.729 1.533 6.376 1.00 0.00 O ATOM 651 CB ILE A 46 8.301 0.212 5.860 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.786 0.035 5.534 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.526 -1.100 5.736 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.975 -0.895 4.334 1.00 0.00 C ATOM 0 H ILE A 46 9.136 2.535 5.849 1.00 0.00 H new ATOM 0 HA ILE A 46 7.792 0.964 3.960 1.00 0.00 H new ATOM 0 HB ILE A 46 8.235 0.526 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.234 1.006 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.306 -0.373 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.992 -1.859 6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.496 -0.946 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.537 -1.433 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.039 -1.004 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.547 -1.872 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.474 -0.472 3.463 1.00 0.00 H new ATOM 666 N VAL A 47 5.445 1.624 4.134 1.00 0.00 N ATOM 667 CA VAL A 47 4.006 1.817 4.213 1.00 0.00 C ATOM 668 C VAL A 47 3.335 0.482 4.544 1.00 0.00 C ATOM 669 O VAL A 47 3.619 -0.533 3.910 1.00 0.00 O ATOM 670 CB VAL A 47 3.490 2.440 2.915 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.967 2.587 2.945 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.165 3.786 2.645 1.00 0.00 C ATOM 0 H VAL A 47 5.820 1.595 3.186 1.00 0.00 H new ATOM 0 HA VAL A 47 3.757 2.514 5.013 1.00 0.00 H new ATOM 0 HB VAL A 47 3.746 1.767 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.626 3.032 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.509 1.605 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.680 3.228 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.780 4.207 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.955 4.470 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.242 3.642 2.559 1.00 0.00 H new ATOM 682 N ARG A 48 2.458 0.527 5.536 1.00 0.00 N ATOM 683 CA ARG A 48 1.744 -0.666 5.959 1.00 0.00 C ATOM 684 C ARG A 48 0.467 -0.840 5.135 1.00 0.00 C ATOM 685 O ARG A 48 -0.499 -0.099 5.316 1.00 0.00 O ATOM 686 CB ARG A 48 1.379 -0.592 7.442 1.00 0.00 C ATOM 687 CG ARG A 48 2.587 -0.923 8.321 1.00 0.00 C ATOM 688 CD ARG A 48 2.263 -0.715 9.801 1.00 0.00 C ATOM 689 NE ARG A 48 3.428 -1.090 10.633 1.00 0.00 N ATOM 690 CZ ARG A 48 3.517 -0.857 11.950 1.00 0.00 C ATOM 691 NH1 ARG A 48 2.510 -0.251 12.593 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.613 -1.233 12.623 1.00 0.00 N ATOM 0 H ARG A 48 2.225 1.371 6.059 1.00 0.00 H new ATOM 0 HA ARG A 48 2.402 -1.520 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.014 0.407 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.568 -1.288 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.891 -1.956 8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.430 -0.293 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.998 0.327 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.398 -1.316 10.080 1.00 0.00 H new ATOM 0 HE ARG A 48 4.212 -1.555 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.675 0.033 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.578 -0.074 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.379 -1.696 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.682 -1.056 13.625 1.00 0.00 H new ATOM 706 N LEU A 49 0.503 -1.823 4.247 1.00 0.00 N ATOM 707 CA LEU A 49 -0.640 -2.103 3.394 1.00 0.00 C ATOM 708 C LEU A 49 -1.232 -3.462 3.774 1.00 0.00 C ATOM 709 O LEU A 49 -0.498 -4.432 3.962 1.00 0.00 O ATOM 710 CB LEU A 49 -0.248 -1.993 1.920 1.00 0.00 C ATOM 711 CG LEU A 49 0.438 -0.691 1.503 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.336 0.525 2.016 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.900 -0.672 1.957 1.00 0.00 C ATOM 0 H LEU A 49 1.305 -2.435 4.100 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.422 -1.359 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.415 -2.823 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.147 -2.117 1.316 1.00 0.00 H new ATOM 0 HG LEU A 49 0.437 -0.638 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.173 1.438 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.345 0.514 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.388 0.491 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.365 0.264 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.945 -0.759 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.433 -1.508 1.504 1.00 0.00 H new ATOM 725 N LYS A 50 -2.553 -3.490 3.874 1.00 0.00 N ATOM 726 CA LYS A 50 -3.251 -4.714 4.227 1.00 0.00 C ATOM 727 C LYS A 50 -3.702 -5.425 2.950 1.00 0.00 C ATOM 728 O LYS A 50 -4.896 -5.499 2.664 1.00 0.00 O ATOM 729 CB LYS A 50 -4.393 -4.418 5.201 1.00 0.00 C ATOM 730 CG LYS A 50 -5.128 -5.701 5.592 1.00 0.00 C ATOM 731 CD LYS A 50 -6.158 -5.430 6.690 1.00 0.00 C ATOM 732 CE LYS A 50 -7.562 -5.286 6.100 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.566 -5.911 6.990 1.00 0.00 N ATOM 0 H LYS A 50 -3.158 -2.684 3.717 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.582 -5.395 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.997 -3.935 6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.093 -3.719 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.625 -6.120 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.410 -6.445 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.146 -6.244 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.891 -4.521 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.798 -4.231 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.599 -5.753 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.513 -5.804 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.349 -6.922 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.542 -5.447 7.920 1.00 0.00 H new ATOM 747 N LEU A 51 -2.722 -5.932 2.215 1.00 0.00 N ATOM 748 CA LEU A 51 -3.003 -6.635 0.975 1.00 0.00 C ATOM 749 C LEU A 51 -3.517 -8.040 1.296 1.00 0.00 C ATOM 750 O LEU A 51 -2.859 -8.799 2.005 1.00 0.00 O ATOM 751 CB LEU A 51 -1.775 -6.623 0.063 1.00 0.00 C ATOM 752 CG LEU A 51 -1.648 -7.800 -0.907 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.943 -8.001 -1.697 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.438 -7.626 -1.825 1.00 0.00 C ATOM 0 H LEU A 51 -1.733 -5.870 2.455 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.790 -6.127 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.787 -5.700 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.883 -6.596 0.689 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.482 -8.706 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.826 -8.843 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.762 -8.203 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.164 -7.100 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.371 -8.476 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.548 -6.708 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.470 -7.570 -1.224 1.00 0.00 H new ATOM 766 N GLN A 52 -4.690 -8.344 0.757 1.00 0.00 N ATOM 767 CA GLN A 52 -5.299 -9.644 0.977 1.00 0.00 C ATOM 768 C GLN A 52 -6.290 -9.963 -0.145 1.00 0.00 C ATOM 769 O GLN A 52 -7.265 -9.240 -0.342 1.00 0.00 O ATOM 770 CB GLN A 52 -5.983 -9.704 2.344 1.00 0.00 C ATOM 771 CG GLN A 52 -5.392 -10.824 3.204 1.00 0.00 C ATOM 772 CD GLN A 52 -6.497 -11.655 3.860 1.00 0.00 C ATOM 773 OE1 GLN A 52 -6.894 -12.700 3.373 1.00 0.00 O ATOM 774 NE2 GLN A 52 -6.970 -11.132 4.988 1.00 0.00 N ATOM 0 H GLN A 52 -5.234 -7.712 0.169 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.512 -10.398 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.867 -8.748 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.053 -9.867 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.765 -11.468 2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.749 -10.396 3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.592 -10.253 5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.711 -11.611 5.501 1.00 0.00 H new ATOM 783 N GLY A 53 -6.004 -11.046 -0.853 1.00 0.00 N ATOM 784 CA GLY A 53 -6.857 -11.468 -1.951 1.00 0.00 C ATOM 785 C GLY A 53 -6.594 -12.930 -2.317 1.00 0.00 C ATOM 786 O GLY A 53 -6.242 -13.737 -1.458 1.00 0.00 O ATOM 0 H GLY A 53 -5.194 -11.644 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.903 -11.341 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.679 -10.834 -2.820 1.00 0.00 H new ATOM 790 N SER A 54 -6.773 -13.228 -3.596 1.00 0.00 N ATOM 791 CA SER A 54 -6.559 -14.578 -4.088 1.00 0.00 C ATOM 792 C SER A 54 -5.209 -14.666 -4.803 1.00 0.00 C ATOM 793 O SER A 54 -4.693 -15.760 -5.030 1.00 0.00 O ATOM 794 CB SER A 54 -7.688 -15.007 -5.028 1.00 0.00 C ATOM 795 OG SER A 54 -7.925 -16.411 -4.971 1.00 0.00 O ATOM 0 H SER A 54 -7.064 -12.557 -4.307 1.00 0.00 H new ATOM 0 HA SER A 54 -6.556 -15.257 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.602 -14.474 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.437 -14.723 -6.050 1.00 0.00 H new ATOM 0 HG SER A 54 -8.653 -16.645 -5.584 1.00 0.00 H new ATOM 801 N CYS A 55 -4.676 -13.501 -5.139 1.00 0.00 N ATOM 802 CA CYS A 55 -3.397 -13.434 -5.824 1.00 0.00 C ATOM 803 C CYS A 55 -2.336 -12.981 -4.818 1.00 0.00 C ATOM 804 O CYS A 55 -1.468 -12.174 -5.146 1.00 0.00 O ATOM 805 CB CYS A 55 -3.456 -12.511 -7.044 1.00 0.00 C ATOM 806 SG CYS A 55 -3.406 -13.503 -8.581 1.00 0.00 S ATOM 0 H CYS A 55 -5.107 -12.596 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.136 -14.420 -6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.368 -11.915 -7.016 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.618 -11.814 -7.024 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.459 -12.711 -9.611 1.00 0.00 H new ATOM 812 N THR A 56 -2.442 -13.523 -3.613 1.00 0.00 N ATOM 813 CA THR A 56 -1.502 -13.186 -2.556 1.00 0.00 C ATOM 814 C THR A 56 -0.833 -14.450 -2.015 1.00 0.00 C ATOM 815 O THR A 56 0.019 -14.375 -1.130 1.00 0.00 O ATOM 816 CB THR A 56 -2.257 -12.392 -1.488 1.00 0.00 C ATOM 817 OG1 THR A 56 -1.235 -11.943 -0.602 1.00 0.00 O ATOM 818 CG2 THR A 56 -3.143 -13.282 -0.615 1.00 0.00 C ATOM 0 H THR A 56 -3.164 -14.192 -3.345 1.00 0.00 H new ATOM 0 HA THR A 56 -0.690 -12.563 -2.931 1.00 0.00 H new ATOM 0 HB THR A 56 -2.870 -11.629 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.538 -12.628 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.656 -12.669 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.879 -13.788 -1.240 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.526 -14.024 -0.108 1.00 0.00 H new ATOM 826 N SER A 57 -1.242 -15.581 -2.568 1.00 0.00 N ATOM 827 CA SER A 57 -0.693 -16.860 -2.152 1.00 0.00 C ATOM 828 C SER A 57 0.475 -17.249 -3.060 1.00 0.00 C ATOM 829 O SER A 57 0.928 -18.393 -3.040 1.00 0.00 O ATOM 830 CB SER A 57 -1.765 -17.953 -2.169 1.00 0.00 C ATOM 831 OG SER A 57 -1.754 -18.729 -0.974 1.00 0.00 O ATOM 0 H SER A 57 -1.948 -15.639 -3.302 1.00 0.00 H new ATOM 0 HA SER A 57 -0.332 -16.759 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.747 -17.496 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.604 -18.606 -3.027 1.00 0.00 H new ATOM 0 HG SER A 57 -2.453 -19.414 -1.022 1.00 0.00 H new ATOM 837 N CYS A 58 0.930 -16.275 -3.834 1.00 0.00 N ATOM 838 CA CYS A 58 2.037 -16.501 -4.749 1.00 0.00 C ATOM 839 C CYS A 58 3.041 -15.359 -4.579 1.00 0.00 C ATOM 840 O CYS A 58 2.652 -14.197 -4.469 1.00 0.00 O ATOM 841 CB CYS A 58 1.559 -16.629 -6.196 1.00 0.00 C ATOM 842 SG CYS A 58 2.540 -17.904 -7.069 1.00 0.00 S ATOM 0 H CYS A 58 0.553 -15.327 -3.847 1.00 0.00 H new ATOM 0 HA CYS A 58 2.521 -17.448 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.502 -16.895 -6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 58 1.657 -15.671 -6.706 1.00 0.00 H new ATOM 0 HG CYS A 58 2.124 -18.006 -8.296 1.00 0.00 H new ATOM 848 N PRO A 59 4.346 -15.739 -4.562 1.00 0.00 N ATOM 849 CA PRO A 59 5.410 -14.760 -4.408 1.00 0.00 C ATOM 850 C PRO A 59 5.619 -13.971 -5.702 1.00 0.00 C ATOM 851 O PRO A 59 5.927 -12.780 -5.663 1.00 0.00 O ATOM 852 CB PRO A 59 6.631 -15.566 -4.000 1.00 0.00 C ATOM 853 CG PRO A 59 6.331 -17.004 -4.390 1.00 0.00 C ATOM 854 CD PRO A 59 4.844 -17.106 -4.689 1.00 0.00 C ATOM 0 HA PRO A 59 5.181 -14.004 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.526 -15.203 -4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.814 -15.482 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.916 -17.293 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.606 -17.683 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.667 -17.500 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.344 -17.776 -3.989 1.00 0.00 H new ATOM 862 N SER A 60 5.445 -14.666 -6.817 1.00 0.00 N ATOM 863 CA SER A 60 5.612 -14.044 -8.119 1.00 0.00 C ATOM 864 C SER A 60 4.590 -12.920 -8.298 1.00 0.00 C ATOM 865 O SER A 60 4.950 -11.744 -8.303 1.00 0.00 O ATOM 866 CB SER A 60 5.471 -15.073 -9.242 1.00 0.00 C ATOM 867 OG SER A 60 6.444 -16.110 -9.142 1.00 0.00 O ATOM 0 H SER A 60 5.190 -15.653 -6.845 1.00 0.00 H new ATOM 0 HA SER A 60 6.616 -13.624 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.472 -15.509 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.571 -14.574 -10.206 1.00 0.00 H new ATOM 0 HG SER A 60 6.319 -16.747 -9.876 1.00 0.00 H new ATOM 873 N SER A 61 3.335 -13.321 -8.440 1.00 0.00 N ATOM 874 CA SER A 61 2.259 -12.362 -8.619 1.00 0.00 C ATOM 875 C SER A 61 2.498 -11.136 -7.735 1.00 0.00 C ATOM 876 O SER A 61 2.227 -10.008 -8.145 1.00 0.00 O ATOM 877 CB SER A 61 0.901 -12.992 -8.296 1.00 0.00 C ATOM 878 OG SER A 61 0.535 -13.986 -9.248 1.00 0.00 O ATOM 0 H SER A 61 3.040 -14.297 -8.435 1.00 0.00 H new ATOM 0 HA SER A 61 2.247 -12.052 -9.664 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.935 -13.437 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.137 -12.215 -8.271 1.00 0.00 H new ATOM 0 HG SER A 61 -0.336 -14.365 -9.007 1.00 0.00 H new ATOM 884 N ILE A 62 3.003 -11.398 -6.538 1.00 0.00 N ATOM 885 CA ILE A 62 3.282 -10.330 -5.593 1.00 0.00 C ATOM 886 C ILE A 62 4.554 -9.595 -6.022 1.00 0.00 C ATOM 887 O ILE A 62 4.556 -8.371 -6.147 1.00 0.00 O ATOM 888 CB ILE A 62 3.339 -10.878 -4.167 1.00 0.00 C ATOM 889 CG1 ILE A 62 2.114 -10.443 -3.362 1.00 0.00 C ATOM 890 CG2 ILE A 62 4.647 -10.482 -3.478 1.00 0.00 C ATOM 891 CD1 ILE A 62 2.014 -11.223 -2.049 1.00 0.00 C ATOM 0 H ILE A 62 3.226 -12.335 -6.201 1.00 0.00 H new ATOM 0 HA ILE A 62 2.474 -9.598 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 62 3.319 -11.967 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.174 -9.375 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.212 -10.601 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.661 -10.885 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.490 -10.883 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.722 -9.395 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.134 -10.894 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.930 -12.288 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.907 -11.043 -1.450 1.00 0.00 H new ATOM 903 N ILE A 63 5.605 -10.373 -6.235 1.00 0.00 N ATOM 904 CA ILE A 63 6.880 -9.812 -6.647 1.00 0.00 C ATOM 905 C ILE A 63 6.703 -9.075 -7.976 1.00 0.00 C ATOM 906 O ILE A 63 7.562 -8.290 -8.374 1.00 0.00 O ATOM 907 CB ILE A 63 7.957 -10.898 -6.685 1.00 0.00 C ATOM 908 CG1 ILE A 63 8.300 -11.380 -5.273 1.00 0.00 C ATOM 909 CG2 ILE A 63 9.195 -10.417 -7.443 1.00 0.00 C ATOM 910 CD1 ILE A 63 9.010 -12.734 -5.314 1.00 0.00 C ATOM 0 H ILE A 63 5.599 -11.388 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 63 7.226 -9.078 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 63 7.559 -11.754 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.937 -10.646 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.388 -11.461 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.945 -11.208 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.919 -10.163 -8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.605 -9.536 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.243 -13.054 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.361 -13.471 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.933 -12.644 -5.886 1.00 0.00 H new ATOM 922 N THR A 64 5.582 -9.354 -8.626 1.00 0.00 N ATOM 923 CA THR A 64 5.281 -8.728 -9.902 1.00 0.00 C ATOM 924 C THR A 64 4.519 -7.418 -9.687 1.00 0.00 C ATOM 925 O THR A 64 4.908 -6.376 -10.212 1.00 0.00 O ATOM 926 CB THR A 64 4.519 -9.741 -10.757 1.00 0.00 C ATOM 927 OG1 THR A 64 5.545 -10.497 -11.397 1.00 0.00 O ATOM 928 CG2 THR A 64 3.767 -9.081 -11.915 1.00 0.00 C ATOM 0 H THR A 64 4.871 -10.005 -8.292 1.00 0.00 H new ATOM 0 HA THR A 64 6.193 -8.454 -10.433 1.00 0.00 H new ATOM 0 HB THR A 64 3.814 -10.288 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.139 -11.180 -11.971 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.243 -9.844 -12.490 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.046 -8.366 -11.520 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.476 -8.563 -12.561 1.00 0.00 H new ATOM 936 N LEU A 65 3.448 -7.516 -8.914 1.00 0.00 N ATOM 937 CA LEU A 65 2.627 -6.352 -8.622 1.00 0.00 C ATOM 938 C LEU A 65 3.137 -5.680 -7.346 1.00 0.00 C ATOM 939 O LEU A 65 3.608 -4.545 -7.383 1.00 0.00 O ATOM 940 CB LEU A 65 1.148 -6.740 -8.565 1.00 0.00 C ATOM 941 CG LEU A 65 0.298 -6.322 -9.767 1.00 0.00 C ATOM 942 CD1 LEU A 65 0.761 -7.034 -11.040 1.00 0.00 C ATOM 943 CD2 LEU A 65 -1.190 -6.549 -9.491 1.00 0.00 C ATOM 0 H LEU A 65 3.129 -8.383 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 65 2.709 -5.617 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.081 -7.822 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.712 -6.302 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 65 0.436 -5.253 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.141 -6.719 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.801 -6.778 -11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.672 -8.112 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.772 -6.244 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.366 -7.606 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.494 -5.959 -8.626 1.00 0.00 H new ATOM 955 N LYS A 66 3.025 -6.411 -6.246 1.00 0.00 N ATOM 956 CA LYS A 66 3.468 -5.900 -4.960 1.00 0.00 C ATOM 957 C LYS A 66 4.772 -5.122 -5.148 1.00 0.00 C ATOM 958 O LYS A 66 4.823 -3.919 -4.897 1.00 0.00 O ATOM 959 CB LYS A 66 3.571 -7.035 -3.940 1.00 0.00 C ATOM 960 CG LYS A 66 3.247 -6.535 -2.530 1.00 0.00 C ATOM 961 CD LYS A 66 4.520 -6.388 -1.694 1.00 0.00 C ATOM 962 CE LYS A 66 4.997 -7.746 -1.178 1.00 0.00 C ATOM 963 NZ LYS A 66 5.670 -7.596 0.131 1.00 0.00 N ATOM 0 H LYS A 66 2.634 -7.353 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 66 2.736 -5.203 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.885 -7.837 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.576 -7.456 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.734 -5.575 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.565 -7.231 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.304 -5.928 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.332 -5.721 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.149 -8.423 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.683 -8.194 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.988 -8.528 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.491 -6.966 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.005 -7.188 0.819 1.00 0.00 H new ATOM 977 N SER A 67 5.795 -5.841 -5.587 1.00 0.00 N ATOM 978 CA SER A 67 7.096 -5.233 -5.811 1.00 0.00 C ATOM 979 C SER A 67 6.975 -4.099 -6.831 1.00 0.00 C ATOM 980 O SER A 67 7.279 -2.948 -6.522 1.00 0.00 O ATOM 981 CB SER A 67 8.113 -6.271 -6.290 1.00 0.00 C ATOM 982 OG SER A 67 9.174 -6.449 -5.356 1.00 0.00 O ATOM 0 H SER A 67 5.749 -6.839 -5.794 1.00 0.00 H new ATOM 0 HA SER A 67 7.451 -4.825 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.609 -7.224 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.524 -5.960 -7.250 1.00 0.00 H new ATOM 0 HG SER A 67 9.801 -7.120 -5.697 1.00 0.00 H new ATOM 988 N GLY A 68 6.529 -4.463 -8.024 1.00 0.00 N ATOM 989 CA GLY A 68 6.364 -3.490 -9.090 1.00 0.00 C ATOM 990 C GLY A 68 5.806 -2.172 -8.548 1.00 0.00 C ATOM 991 O GLY A 68 6.385 -1.110 -8.773 1.00 0.00 O ATOM 0 H GLY A 68 6.277 -5.419 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.323 -3.311 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.692 -3.888 -9.850 1.00 0.00 H new ATOM 995 N ILE A 69 4.689 -2.284 -7.845 1.00 0.00 N ATOM 996 CA ILE A 69 4.047 -1.115 -7.270 1.00 0.00 C ATOM 997 C ILE A 69 5.053 -0.365 -6.395 1.00 0.00 C ATOM 998 O ILE A 69 5.291 0.825 -6.596 1.00 0.00 O ATOM 999 CB ILE A 69 2.768 -1.514 -6.531 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.625 -1.772 -7.515 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.393 -0.470 -5.479 1.00 0.00 C ATOM 1002 CD1 ILE A 69 0.969 -3.128 -7.249 1.00 0.00 C ATOM 0 H ILE A 69 4.212 -3.167 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 69 3.732 -0.429 -8.056 1.00 0.00 H new ATOM 0 HB ILE A 69 2.957 -2.449 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.880 -0.981 -7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.005 -1.742 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.480 -0.779 -4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.201 -0.378 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.230 0.493 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.160 -3.287 -7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.711 -3.919 -7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.568 -3.146 -6.235 1.00 0.00 H new ATOM 1014 N GLN A 70 5.618 -1.091 -5.442 1.00 0.00 N ATOM 1015 CA GLN A 70 6.593 -0.509 -4.535 1.00 0.00 C ATOM 1016 C GLN A 70 7.513 0.453 -5.291 1.00 0.00 C ATOM 1017 O GLN A 70 7.641 1.617 -4.917 1.00 0.00 O ATOM 1018 CB GLN A 70 7.402 -1.598 -3.827 1.00 0.00 C ATOM 1019 CG GLN A 70 8.256 -1.005 -2.706 1.00 0.00 C ATOM 1020 CD GLN A 70 9.413 -1.939 -2.344 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.353 -2.705 -1.395 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.465 -1.835 -3.150 1.00 0.00 N ATOM 0 H GLN A 70 5.419 -2.078 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 70 6.058 0.055 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.727 -2.349 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.043 -2.106 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.649 -0.037 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.637 -0.830 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.449 -1.173 -3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.288 -2.417 -2.992 1.00 0.00 H new ATOM 1031 N ASN A 71 8.128 -0.069 -6.341 1.00 0.00 N ATOM 1032 CA ASN A 71 9.032 0.728 -7.152 1.00 0.00 C ATOM 1033 C ASN A 71 8.362 2.062 -7.492 1.00 0.00 C ATOM 1034 O ASN A 71 8.916 3.125 -7.219 1.00 0.00 O ATOM 1035 CB ASN A 71 9.364 0.019 -8.466 1.00 0.00 C ATOM 1036 CG ASN A 71 10.850 0.158 -8.804 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.713 0.141 -7.942 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.099 0.295 -10.103 1.00 0.00 N ATOM 0 H ASN A 71 8.018 -1.035 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 71 9.949 0.881 -6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.102 -1.036 -8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.763 0.440 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.060 0.394 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.329 0.301 -10.772 1.00 0.00 H new ATOM 1045 N MET A 72 7.181 1.961 -8.083 1.00 0.00 N ATOM 1046 CA MET A 72 6.431 3.146 -8.462 1.00 0.00 C ATOM 1047 C MET A 72 6.261 4.092 -7.272 1.00 0.00 C ATOM 1048 O MET A 72 6.583 5.275 -7.362 1.00 0.00 O ATOM 1049 CB MET A 72 5.053 2.733 -8.986 1.00 0.00 C ATOM 1050 CG MET A 72 4.215 3.959 -9.352 1.00 0.00 C ATOM 1051 SD MET A 72 2.823 3.470 -10.355 1.00 0.00 S ATOM 1052 CE MET A 72 1.689 2.947 -9.079 1.00 0.00 C ATOM 0 H MET A 72 6.725 1.077 -8.309 1.00 0.00 H new ATOM 0 HA MET A 72 6.985 3.669 -9.242 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.170 2.094 -9.861 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.533 2.146 -8.229 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.865 4.454 -8.446 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.828 4.680 -9.893 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.114 2.091 -9.432 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.249 2.665 -8.188 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.011 3.765 -8.837 1.00 0.00 H new ATOM 1062 N LEU A 73 5.755 3.534 -6.181 1.00 0.00 N ATOM 1063 CA LEU A 73 5.538 4.313 -4.974 1.00 0.00 C ATOM 1064 C LEU A 73 6.816 5.083 -4.632 1.00 0.00 C ATOM 1065 O LEU A 73 6.837 6.312 -4.686 1.00 0.00 O ATOM 1066 CB LEU A 73 5.040 3.416 -3.839 1.00 0.00 C ATOM 1067 CG LEU A 73 4.005 4.037 -2.898 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.809 4.581 -3.682 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.577 3.040 -1.819 1.00 0.00 C ATOM 0 H LEU A 73 5.489 2.552 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 73 4.753 5.052 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.610 2.515 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.899 3.103 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 73 4.469 4.882 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.088 5.017 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.149 5.345 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.336 3.769 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.841 3.506 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.138 2.161 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.447 2.742 -1.234 1.00 0.00 H new ATOM 1081 N GLN A 74 7.849 4.328 -4.289 1.00 0.00 N ATOM 1082 CA GLN A 74 9.127 4.925 -3.940 1.00 0.00 C ATOM 1083 C GLN A 74 9.548 5.940 -5.004 1.00 0.00 C ATOM 1084 O GLN A 74 9.848 7.090 -4.685 1.00 0.00 O ATOM 1085 CB GLN A 74 10.201 3.851 -3.753 1.00 0.00 C ATOM 1086 CG GLN A 74 10.331 3.455 -2.280 1.00 0.00 C ATOM 1087 CD GLN A 74 9.762 2.056 -2.036 1.00 0.00 C ATOM 1088 OE1 GLN A 74 10.455 1.054 -2.115 1.00 0.00 O ATOM 1089 NE2 GLN A 74 8.467 2.043 -1.736 1.00 0.00 N ATOM 0 H GLN A 74 7.827 3.309 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 74 9.013 5.449 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.950 2.973 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.158 4.221 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.380 3.482 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.805 4.179 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.946 2.919 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.994 1.157 -1.555 1.00 0.00 H new ATOM 1098 N PHE A 75 9.558 5.480 -6.246 1.00 0.00 N ATOM 1099 CA PHE A 75 9.936 6.333 -7.358 1.00 0.00 C ATOM 1100 C PHE A 75 9.269 7.705 -7.249 1.00 0.00 C ATOM 1101 O PHE A 75 9.949 8.727 -7.165 1.00 0.00 O ATOM 1102 CB PHE A 75 9.454 5.645 -8.636 1.00 0.00 C ATOM 1103 CG PHE A 75 9.287 6.589 -9.828 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.099 7.217 -10.038 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.328 6.802 -10.678 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.945 8.094 -11.144 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.174 7.679 -11.784 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.986 8.306 -11.993 1.00 0.00 C ATOM 0 H PHE A 75 9.310 4.526 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 75 11.016 6.483 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.163 4.861 -8.903 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.500 5.157 -8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.273 7.049 -9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.272 6.304 -10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.002 8.592 -11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.000 7.848 -12.459 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.869 8.973 -12.834 1.00 0.00 H new ATOM 1118 N TYR A 76 7.943 7.685 -7.253 1.00 0.00 N ATOM 1119 CA TYR A 76 7.176 8.915 -7.155 1.00 0.00 C ATOM 1120 C TYR A 76 7.350 9.562 -5.780 1.00 0.00 C ATOM 1121 O TYR A 76 7.749 10.721 -5.682 1.00 0.00 O ATOM 1122 CB TYR A 76 5.711 8.512 -7.334 1.00 0.00 C ATOM 1123 CG TYR A 76 5.251 8.468 -8.793 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.307 9.607 -9.570 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.781 7.288 -9.333 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.875 9.565 -10.943 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.348 7.246 -10.706 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.417 8.386 -11.442 1.00 0.00 C ATOM 1129 OH TYR A 76 4.009 8.347 -12.740 1.00 0.00 O ATOM 0 H TYR A 76 7.381 6.836 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 76 7.507 9.635 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.558 7.530 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.082 9.214 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.675 10.531 -9.148 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.738 6.396 -8.726 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.914 10.449 -11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.977 6.329 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 76 3.708 7.441 -12.961 1.00 0.00 H new ATOM 1139 N ILE A 77 7.041 8.785 -4.752 1.00 0.00 N ATOM 1140 CA ILE A 77 7.159 9.267 -3.387 1.00 0.00 C ATOM 1141 C ILE A 77 8.459 8.741 -2.775 1.00 0.00 C ATOM 1142 O ILE A 77 8.591 7.545 -2.522 1.00 0.00 O ATOM 1143 CB ILE A 77 5.909 8.907 -2.581 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.651 9.474 -3.240 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.047 9.355 -1.126 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.546 10.984 -3.013 1.00 0.00 C ATOM 0 H ILE A 77 6.709 7.824 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 77 7.217 10.355 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 77 5.807 7.822 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.670 9.264 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.769 8.979 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.145 9.087 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.908 8.863 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.187 10.435 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.643 11.362 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.503 11.189 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.418 11.478 -3.442 1.00 0.00 H new ATOM 1158 N PRO A 78 9.411 9.686 -2.547 1.00 0.00 N ATOM 1159 CA PRO A 78 10.695 9.330 -1.970 1.00 0.00 C ATOM 1160 C PRO A 78 10.564 9.052 -0.470 1.00 0.00 C ATOM 1161 O PRO A 78 11.487 8.527 0.151 1.00 0.00 O ATOM 1162 CB PRO A 78 11.605 10.508 -2.277 1.00 0.00 C ATOM 1163 CG PRO A 78 10.685 11.672 -2.605 1.00 0.00 C ATOM 1164 CD PRO A 78 9.290 11.112 -2.834 1.00 0.00 C ATOM 0 HA PRO A 78 11.102 8.409 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.242 10.742 -1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.265 10.284 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.677 12.394 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.036 12.198 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.560 11.587 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.958 11.283 -3.858 1.00 0.00 H new ATOM 1172 N GLU A 79 9.409 9.417 0.068 1.00 0.00 N ATOM 1173 CA GLU A 79 9.145 9.214 1.482 1.00 0.00 C ATOM 1174 C GLU A 79 9.190 7.723 1.821 1.00 0.00 C ATOM 1175 O GLU A 79 10.100 7.266 2.511 1.00 0.00 O ATOM 1176 CB GLU A 79 7.802 9.827 1.882 1.00 0.00 C ATOM 1177 CG GLU A 79 7.782 11.331 1.603 1.00 0.00 C ATOM 1178 CD GLU A 79 8.234 12.123 2.832 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.236 11.519 3.927 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.566 13.314 2.649 1.00 0.00 O ATOM 0 H GLU A 79 8.646 9.852 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 79 9.923 9.720 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.997 9.340 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.617 9.647 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.435 11.557 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.776 11.638 1.318 1.00 0.00 H new ATOM 1187 N VAL A 80 8.196 7.004 1.320 1.00 0.00 N ATOM 1188 CA VAL A 80 8.110 5.573 1.562 1.00 0.00 C ATOM 1189 C VAL A 80 9.470 4.931 1.282 1.00 0.00 C ATOM 1190 O VAL A 80 10.302 5.509 0.584 1.00 0.00 O ATOM 1191 CB VAL A 80 6.980 4.969 0.726 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.932 5.597 -0.668 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.117 3.448 0.638 1.00 0.00 C ATOM 0 H VAL A 80 7.443 7.386 0.747 1.00 0.00 H new ATOM 0 HA VAL A 80 7.866 5.375 2.606 1.00 0.00 H new ATOM 0 HB VAL A 80 6.037 5.193 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.120 5.149 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.764 6.670 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.878 5.419 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.302 3.043 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.070 3.195 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.077 3.021 1.640 1.00 0.00 H new ATOM 1203 N GLU A 81 9.655 3.745 1.840 1.00 0.00 N ATOM 1204 CA GLU A 81 10.899 3.017 1.660 1.00 0.00 C ATOM 1205 C GLU A 81 10.623 1.624 1.088 1.00 0.00 C ATOM 1206 O GLU A 81 11.270 1.203 0.131 1.00 0.00 O ATOM 1207 CB GLU A 81 11.677 2.926 2.974 1.00 0.00 C ATOM 1208 CG GLU A 81 12.510 4.189 3.207 1.00 0.00 C ATOM 1209 CD GLU A 81 13.935 3.833 3.636 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.451 2.822 3.111 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.477 4.581 4.479 1.00 0.00 O ATOM 0 H GLU A 81 8.963 3.269 2.418 1.00 0.00 H new ATOM 0 HA GLU A 81 11.516 3.564 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.983 2.786 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.330 2.054 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.539 4.784 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.038 4.804 3.973 1.00 0.00 H new ATOM 1218 N GLY A 82 9.660 0.950 1.700 1.00 0.00 N ATOM 1219 CA GLY A 82 9.290 -0.386 1.265 1.00 0.00 C ATOM 1220 C GLY A 82 7.785 -0.615 1.417 1.00 0.00 C ATOM 1221 O GLY A 82 7.012 0.340 1.479 1.00 0.00 O ATOM 0 H GLY A 82 9.125 1.304 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.579 -0.526 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.835 -1.127 1.850 1.00 0.00 H new ATOM 1225 N VAL A 83 7.415 -1.886 1.472 1.00 0.00 N ATOM 1226 CA VAL A 83 6.017 -2.252 1.616 1.00 0.00 C ATOM 1227 C VAL A 83 5.911 -3.519 2.468 1.00 0.00 C ATOM 1228 O VAL A 83 6.847 -4.315 2.523 1.00 0.00 O ATOM 1229 CB VAL A 83 5.371 -2.403 0.238 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.157 -3.333 0.300 1.00 0.00 C ATOM 1231 CG2 VAL A 83 4.988 -1.039 -0.340 1.00 0.00 C ATOM 0 H VAL A 83 8.059 -2.675 1.419 1.00 0.00 H new ATOM 0 HA VAL A 83 5.468 -1.465 2.133 1.00 0.00 H new ATOM 0 HB VAL A 83 6.105 -2.855 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.716 -3.423 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.470 -4.317 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.419 -2.922 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.531 -1.175 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.279 -0.548 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.881 -0.422 -0.439 1.00 0.00 H new ATOM 1241 N GLU A 84 4.760 -3.668 3.109 1.00 0.00 N ATOM 1242 CA GLU A 84 4.520 -4.825 3.955 1.00 0.00 C ATOM 1243 C GLU A 84 3.024 -5.137 4.014 1.00 0.00 C ATOM 1244 O GLU A 84 2.208 -4.243 4.228 1.00 0.00 O ATOM 1245 CB GLU A 84 5.091 -4.607 5.358 1.00 0.00 C ATOM 1246 CG GLU A 84 5.861 -5.841 5.835 1.00 0.00 C ATOM 1247 CD GLU A 84 4.935 -7.053 5.950 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.150 -7.079 6.921 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.033 -7.927 5.061 1.00 0.00 O ATOM 0 H GLU A 84 3.985 -3.007 3.059 1.00 0.00 H new ATOM 0 HA GLU A 84 5.033 -5.682 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.752 -3.740 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.281 -4.388 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.670 -6.061 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.320 -5.636 6.802 1.00 0.00 H new ATOM 1256 N GLN A 85 2.709 -6.410 3.821 1.00 0.00 N ATOM 1257 CA GLN A 85 1.325 -6.851 3.849 1.00 0.00 C ATOM 1258 C GLN A 85 0.835 -6.967 5.294 1.00 0.00 C ATOM 1259 O GLN A 85 0.780 -8.065 5.849 1.00 0.00 O ATOM 1260 CB GLN A 85 1.158 -8.178 3.106 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.302 -8.634 3.121 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.458 -9.952 3.883 1.00 0.00 C ATOM 1263 OE1 GLN A 85 0.468 -10.456 4.498 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.676 -10.480 3.809 1.00 0.00 N ATOM 0 H GLN A 85 3.389 -7.150 3.645 1.00 0.00 H new ATOM 0 HA GLN A 85 0.716 -6.106 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.498 -8.068 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.785 -8.940 3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.922 -7.866 3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.659 -8.757 2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.406 -10.006 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.881 -11.359 4.284 1.00 0.00 H new ATOM 1273 N VAL A 86 0.492 -5.821 5.864 1.00 0.00 N ATOM 1274 CA VAL A 86 0.008 -5.780 7.233 1.00 0.00 C ATOM 1275 C VAL A 86 -1.298 -6.571 7.331 1.00 0.00 C ATOM 1276 O VAL A 86 -2.358 -6.074 6.956 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.136 -4.329 7.694 1.00 0.00 C ATOM 1278 CG1 VAL A 86 1.230 -3.643 7.781 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.081 -3.553 6.775 1.00 0.00 C ATOM 0 H VAL A 86 0.540 -4.913 5.402 1.00 0.00 H new ATOM 0 HA VAL A 86 0.725 -6.251 7.906 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.572 -4.337 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.099 -2.612 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.860 -4.175 8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.705 -3.652 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.166 -2.524 7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.687 -3.559 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.065 -4.022 6.785 1.00 0.00 H new ATOM 1289 N SER A 87 -1.177 -7.789 7.839 1.00 0.00 N ATOM 1290 CA SER A 87 -2.335 -8.653 7.992 1.00 0.00 C ATOM 1291 C SER A 87 -3.229 -8.137 9.121 1.00 0.00 C ATOM 1292 O SER A 87 -2.736 -7.588 10.105 1.00 0.00 O ATOM 1293 CB SER A 87 -1.912 -10.098 8.268 1.00 0.00 C ATOM 1294 OG SER A 87 -2.217 -10.962 7.178 1.00 0.00 O ATOM 0 H SER A 87 -0.295 -8.197 8.150 1.00 0.00 H new ATOM 0 HA SER A 87 -2.897 -8.639 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.841 -10.130 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.414 -10.457 9.166 1.00 0.00 H new ATOM 0 HG SER A 87 -1.930 -11.874 7.393 1.00 0.00 H new ATOM 1300 N GLY A 88 -4.528 -8.331 8.941 1.00 0.00 N ATOM 1301 CA GLY A 88 -5.494 -7.891 9.933 1.00 0.00 C ATOM 1302 C GLY A 88 -6.398 -9.047 10.367 1.00 0.00 C ATOM 1303 O GLY A 88 -6.158 -10.197 10.005 1.00 0.00 O ATOM 0 H GLY A 88 -4.933 -8.787 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.972 -7.487 10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.101 -7.084 9.522 1.00 0.00 H new ATOM 1307 N PRO A 89 -7.445 -8.690 11.158 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.386 -9.685 11.646 1.00 0.00 C ATOM 1309 C PRO A 89 -9.335 -10.135 10.533 1.00 0.00 C ATOM 1310 O PRO A 89 -10.410 -9.563 10.359 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.105 -9.011 12.803 1.00 0.00 C ATOM 1312 CG PRO A 89 -8.874 -7.519 12.625 1.00 0.00 C ATOM 1313 CD PRO A 89 -7.761 -7.338 11.607 1.00 0.00 C ATOM 0 HA PRO A 89 -7.896 -10.601 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.169 -9.246 12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.713 -9.355 13.760 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.786 -7.029 12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.601 -7.059 13.575 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.083 -6.710 10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.891 -6.856 12.053 1.00 0.00 H new ATOM 1321 N SER A 90 -8.902 -11.155 9.807 1.00 0.00 N ATOM 1322 CA SER A 90 -9.699 -11.689 8.715 1.00 0.00 C ATOM 1323 C SER A 90 -9.219 -13.097 8.357 1.00 0.00 C ATOM 1324 O SER A 90 -8.065 -13.444 8.601 1.00 0.00 O ATOM 1325 CB SER A 90 -9.634 -10.776 7.489 1.00 0.00 C ATOM 1326 OG SER A 90 -10.909 -10.232 7.160 1.00 0.00 O ATOM 0 H SER A 90 -8.009 -11.626 9.953 1.00 0.00 H new ATOM 0 HA SER A 90 -10.738 -11.739 9.041 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.932 -9.964 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.249 -11.338 6.638 1.00 0.00 H new ATOM 0 HG SER A 90 -10.825 -9.654 6.373 1.00 0.00 H new ATOM 1332 N SER A 91 -10.130 -13.869 7.782 1.00 0.00 N ATOM 1333 CA SER A 91 -9.814 -15.231 7.387 1.00 0.00 C ATOM 1334 C SER A 91 -10.489 -15.559 6.053 1.00 0.00 C ATOM 1335 O SER A 91 -11.520 -14.978 5.716 1.00 0.00 O ATOM 1336 CB SER A 91 -10.247 -16.230 8.461 1.00 0.00 C ATOM 1337 OG SER A 91 -11.664 -16.363 8.527 1.00 0.00 O ATOM 0 H SER A 91 -11.086 -13.577 7.580 1.00 0.00 H new ATOM 0 HA SER A 91 -8.733 -15.311 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.801 -17.202 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.868 -15.907 9.430 1.00 0.00 H new ATOM 0 HG SER A 91 -11.900 -17.011 9.223 1.00 0.00 H new ATOM 1343 N GLY A 92 -9.880 -16.488 5.331 1.00 0.00 N ATOM 1344 CA GLY A 92 -10.410 -16.900 4.042 1.00 0.00 C ATOM 1345 C GLY A 92 -9.651 -18.113 3.500 1.00 0.00 C ATOM 1346 O GLY A 92 -8.773 -18.651 4.172 1.00 0.00 O ATOM 0 H GLY A 92 -9.025 -16.967 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.468 -17.143 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.337 -16.075 3.334 1.00 0.00 H new TER 1350 GLY A 92