USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 987 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 59 SER OG : rot 180:sc= 0.435 USER MOD Set 1.2: A 103 THR OG1 : rot -70:sc= 0.473 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -174:sc= 0.592 (180deg=0) USER MOD Set 2.2: A 19 TYR OH : rot -166:sc= 0.474 USER MOD Set 3.1: A 15 ASN : amide:sc= -0.103 K(o=-0.14,f=-1.3!) USER MOD Set 3.2: A 117 HIS : no HD1:sc= -0.037 K(o=-0.14,f=-2) USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.128) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.07 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.698 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 1 K(o=1,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.772 K(o=0.77,f=-1.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= 0.202 (180deg=-0.392) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.4!) USER MOD Single : A 45 MET CE :methyl 175:sc= -2.41! (180deg=-2.46!) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0.919 (180deg=0.888) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0.948 (180deg=0.9) USER MOD Single : A 82 ASN : amide:sc= 0.242 K(o=0.24,f=-5.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.641! C(o=-0.64!,f=-10!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 57:sc= 0.73 USER MOD Single : A 107 GLN : amide:sc= 0.194 K(o=0.19,f=-0.73) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 119 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 120 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.029 1.202 8.911 1.00 0.00 N ATOM 2 CA MET A 1 14.506 2.420 8.206 1.00 0.00 C ATOM 3 C MET A 1 15.979 2.276 7.791 1.00 0.00 C ATOM 4 O MET A 1 16.680 1.395 8.299 1.00 0.00 O ATOM 5 CB MET A 1 14.330 3.653 9.091 1.00 0.00 C ATOM 6 CG MET A 1 12.889 4.125 9.233 1.00 0.00 C ATOM 7 SD MET A 1 12.742 5.613 10.241 1.00 0.00 S ATOM 8 CE MET A 1 13.053 4.948 11.874 1.00 0.00 C ATOM 0 H1 MET A 1 13.267 0.758 8.360 1.00 0.00 H new ATOM 0 H2 MET A 1 14.817 0.531 9.016 1.00 0.00 H new ATOM 0 H3 MET A 1 13.669 1.464 9.851 1.00 0.00 H new ATOM 0 HA MET A 1 13.905 2.542 7.305 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.727 3.433 10.082 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.928 4.467 8.682 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.475 4.319 8.243 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.292 3.329 9.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.807 5.698 12.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.437 4.063 12.030 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.105 4.678 11.962 1.00 0.00 H new ATOM 20 N SER A 2 16.425 3.132 6.856 1.00 0.00 N ATOM 21 CA SER A 2 17.681 2.951 6.131 1.00 0.00 C ATOM 22 C SER A 2 18.071 4.246 5.382 1.00 0.00 C ATOM 23 O SER A 2 18.725 5.134 5.962 1.00 0.00 O ATOM 24 CB SER A 2 17.560 1.788 5.165 1.00 0.00 C ATOM 25 OG SER A 2 18.754 1.555 4.470 1.00 0.00 O ATOM 0 H SER A 2 15.916 3.973 6.585 1.00 0.00 H new ATOM 0 HA SER A 2 18.470 2.727 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.279 0.889 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.760 1.990 4.453 1.00 0.00 H new ATOM 0 HG SER A 2 18.635 0.797 3.860 1.00 0.00 H new ATOM 31 N GLY A 3 17.707 4.300 4.087 1.00 0.00 N ATOM 32 CA GLY A 3 17.983 5.447 3.224 1.00 0.00 C ATOM 33 C GLY A 3 16.688 6.039 2.693 1.00 0.00 C ATOM 34 O GLY A 3 15.740 6.291 3.449 1.00 0.00 O ATOM 0 H GLY A 3 17.212 3.543 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.534 6.204 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.617 5.139 2.392 1.00 0.00 H new ATOM 38 N LYS A 4 16.687 6.309 1.385 1.00 0.00 N ATOM 39 CA LYS A 4 15.813 7.299 0.739 1.00 0.00 C ATOM 40 C LYS A 4 14.394 7.203 1.308 1.00 0.00 C ATOM 41 O LYS A 4 13.891 6.108 1.601 1.00 0.00 O ATOM 42 CB LYS A 4 15.793 7.099 -0.777 1.00 0.00 C ATOM 43 CG LYS A 4 14.956 8.120 -1.535 1.00 0.00 C ATOM 44 CD LYS A 4 15.071 7.922 -3.039 1.00 0.00 C ATOM 45 CE LYS A 4 14.188 8.904 -3.796 1.00 0.00 C ATOM 46 NZ LYS A 4 14.285 8.717 -5.269 1.00 0.00 N ATOM 0 H LYS A 4 17.307 5.836 0.728 1.00 0.00 H new ATOM 0 HA LYS A 4 16.209 8.293 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.817 7.138 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.412 6.101 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.912 8.033 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.281 9.127 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.109 8.051 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.787 6.902 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.152 8.777 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.477 9.923 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.669 9.405 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.269 8.863 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.985 7.752 -5.517 1.00 0.00 H new ATOM 60 N LYS A 5 13.758 8.365 1.447 1.00 0.00 N ATOM 61 CA LYS A 5 12.531 8.526 2.219 1.00 0.00 C ATOM 62 C LYS A 5 11.348 8.512 1.235 1.00 0.00 C ATOM 63 O LYS A 5 11.417 9.130 0.163 1.00 0.00 O ATOM 64 CB LYS A 5 12.555 9.819 3.035 1.00 0.00 C ATOM 65 CG LYS A 5 11.397 9.969 4.012 1.00 0.00 C ATOM 66 CD LYS A 5 11.629 11.124 4.975 1.00 0.00 C ATOM 67 CE LYS A 5 11.332 12.463 4.317 1.00 0.00 C ATOM 68 NZ LYS A 5 11.529 13.600 5.257 1.00 0.00 N ATOM 0 H LYS A 5 14.086 9.231 1.020 1.00 0.00 H new ATOM 0 HA LYS A 5 12.432 7.709 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.491 9.866 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.548 10.667 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.472 10.134 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.271 9.044 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.996 11.000 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.662 11.109 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.980 12.593 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.305 12.468 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.316 14.494 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.893 13.490 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.515 13.611 5.586 1.00 0.00 H new ATOM 82 N VAL A 6 10.295 7.773 1.586 1.00 0.00 N ATOM 83 CA VAL A 6 8.982 7.854 0.924 1.00 0.00 C ATOM 84 C VAL A 6 7.914 7.690 2.006 1.00 0.00 C ATOM 85 O VAL A 6 8.114 6.956 2.985 1.00 0.00 O ATOM 86 CB VAL A 6 8.798 6.778 -0.163 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.180 5.407 0.374 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.362 6.771 -0.667 1.00 0.00 C ATOM 0 H VAL A 6 10.325 7.093 2.345 1.00 0.00 H new ATOM 0 HA VAL A 6 8.900 8.816 0.419 1.00 0.00 H new ATOM 0 HB VAL A 6 9.456 7.016 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.044 4.659 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.224 5.417 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.547 5.161 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.249 6.005 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.687 6.557 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.120 7.746 -1.089 1.00 0.00 H new ATOM 98 N GLU A 7 6.791 8.397 1.846 1.00 0.00 N ATOM 99 CA GLU A 7 5.647 8.268 2.748 1.00 0.00 C ATOM 100 C GLU A 7 4.548 7.488 2.022 1.00 0.00 C ATOM 101 O GLU A 7 4.306 7.682 0.823 1.00 0.00 O ATOM 102 CB GLU A 7 5.136 9.638 3.198 1.00 0.00 C ATOM 103 CG GLU A 7 6.026 10.338 4.215 1.00 0.00 C ATOM 104 CD GLU A 7 5.336 11.532 4.815 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.294 11.898 4.328 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.790 12.008 5.828 1.00 0.00 O ATOM 0 H GLU A 7 6.652 9.070 1.092 1.00 0.00 H new ATOM 0 HA GLU A 7 5.951 7.733 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.032 10.279 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.141 9.518 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.299 9.638 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.952 10.654 3.735 1.00 0.00 H new ATOM 113 N VAL A 8 3.908 6.594 2.780 1.00 0.00 N ATOM 114 CA VAL A 8 2.824 5.729 2.323 1.00 0.00 C ATOM 115 C VAL A 8 1.579 6.013 3.176 1.00 0.00 C ATOM 116 O VAL A 8 1.585 5.822 4.401 1.00 0.00 O ATOM 117 CB VAL A 8 3.195 4.238 2.417 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.031 3.370 1.963 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.434 3.944 1.584 1.00 0.00 C ATOM 0 H VAL A 8 4.140 6.450 3.763 1.00 0.00 H new ATOM 0 HA VAL A 8 2.629 5.945 1.273 1.00 0.00 H new ATOM 0 HB VAL A 8 3.415 4.003 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.311 2.319 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.166 3.560 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.781 3.608 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.682 2.885 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.239 4.195 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.269 4.540 1.951 1.00 0.00 H new ATOM 129 N GLN A 9 0.518 6.490 2.519 1.00 0.00 N ATOM 130 CA GLN A 9 -0.743 6.844 3.177 1.00 0.00 C ATOM 131 C GLN A 9 -1.767 5.751 2.875 1.00 0.00 C ATOM 132 O GLN A 9 -2.123 5.520 1.717 1.00 0.00 O ATOM 133 CB GLN A 9 -1.257 8.205 2.699 1.00 0.00 C ATOM 134 CG GLN A 9 -2.526 8.669 3.393 1.00 0.00 C ATOM 135 CD GLN A 9 -2.890 10.098 3.038 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.141 10.790 2.341 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.041 10.553 3.520 1.00 0.00 N ATOM 0 H GLN A 9 0.510 6.642 1.510 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.580 6.920 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.477 8.951 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.440 8.155 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.349 8.009 3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.397 8.587 4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.630 9.947 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.336 11.508 3.318 1.00 0.00 H new ATOM 146 N VAL A 10 -2.231 5.082 3.933 1.00 0.00 N ATOM 147 CA VAL A 10 -3.110 3.917 3.828 1.00 0.00 C ATOM 148 C VAL A 10 -4.470 4.265 4.447 1.00 0.00 C ATOM 149 O VAL A 10 -4.535 4.625 5.623 1.00 0.00 O ATOM 150 CB VAL A 10 -2.521 2.680 4.530 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.474 1.500 4.419 1.00 0.00 C ATOM 152 CG2 VAL A 10 -1.166 2.326 3.936 1.00 0.00 C ATOM 0 H VAL A 10 -2.005 5.337 4.894 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.220 3.668 2.772 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.385 2.915 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.041 0.634 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.424 1.754 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.640 1.264 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.764 1.449 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.280 2.110 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.482 3.165 4.064 1.00 0.00 H new ATOM 162 N LYS A 11 -5.532 4.186 3.625 1.00 0.00 N ATOM 163 CA LYS A 11 -6.916 4.376 4.067 1.00 0.00 C ATOM 164 C LYS A 11 -7.680 3.076 3.789 1.00 0.00 C ATOM 165 O LYS A 11 -7.778 2.644 2.640 1.00 0.00 O ATOM 166 CB LYS A 11 -7.574 5.560 3.356 1.00 0.00 C ATOM 167 CG LYS A 11 -8.928 5.962 3.923 1.00 0.00 C ATOM 168 CD LYS A 11 -9.641 6.947 3.007 1.00 0.00 C ATOM 169 CE LYS A 11 -10.948 7.426 3.621 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.628 8.436 2.764 1.00 0.00 N ATOM 0 H LYS A 11 -5.448 3.987 2.628 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.934 4.605 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.903 6.418 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.695 5.313 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.546 5.074 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.794 6.410 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.993 7.802 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.840 6.474 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.611 6.574 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.751 7.857 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.514 8.736 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.006 9.260 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.839 8.018 1.836 1.00 0.00 H new ATOM 184 N ILE A 12 -8.223 2.462 4.843 1.00 0.00 N ATOM 185 CA ILE A 12 -8.994 1.212 4.733 1.00 0.00 C ATOM 186 C ILE A 12 -10.371 1.376 5.392 1.00 0.00 C ATOM 187 O ILE A 12 -10.508 2.034 6.429 1.00 0.00 O ATOM 188 CB ILE A 12 -8.260 0.024 5.383 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.115 -1.242 5.302 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.909 0.344 6.827 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.369 -2.506 5.663 1.00 0.00 C ATOM 0 H ILE A 12 -8.143 2.813 5.797 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.112 1.000 3.670 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.334 -0.154 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.971 -1.134 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.508 -1.340 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.391 -0.505 7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.262 1.221 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.822 0.546 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.041 -3.361 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.528 -2.639 4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.999 -2.431 6.686 1.00 0.00 H new ATOM 203 N THR A 13 -11.403 0.810 4.751 1.00 0.00 N ATOM 204 CA THR A 13 -12.763 0.794 5.280 1.00 0.00 C ATOM 205 C THR A 13 -13.105 -0.626 5.752 1.00 0.00 C ATOM 206 O THR A 13 -12.960 -1.595 4.994 1.00 0.00 O ATOM 207 CB THR A 13 -13.794 1.256 4.233 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.498 2.597 3.825 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.201 1.203 4.809 1.00 0.00 C ATOM 0 H THR A 13 -11.311 0.349 3.846 1.00 0.00 H new ATOM 0 HA THR A 13 -12.808 1.492 6.116 1.00 0.00 H new ATOM 0 HB THR A 13 -13.740 0.588 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.154 2.888 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.916 1.533 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.434 0.181 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.263 1.857 5.679 1.00 0.00 H new ATOM 217 N CYS A 14 -13.537 -0.726 7.015 1.00 0.00 N ATOM 218 CA CYS A 14 -13.932 -1.980 7.647 1.00 0.00 C ATOM 219 C CYS A 14 -14.986 -1.685 8.729 1.00 0.00 C ATOM 220 O CYS A 14 -14.851 -0.715 9.484 1.00 0.00 O ATOM 221 CB CYS A 14 -12.683 -2.667 8.249 1.00 0.00 C ATOM 222 SG CYS A 14 -12.990 -4.118 9.315 1.00 0.00 S ATOM 0 H CYS A 14 -13.622 0.081 7.634 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.370 -2.657 6.913 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.035 -2.976 7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.132 -1.927 8.829 1.00 0.00 H new ATOM 227 N ASN A 15 -16.061 -2.511 8.732 1.00 0.00 N ATOM 228 CA ASN A 15 -17.188 -2.442 9.689 1.00 0.00 C ATOM 229 C ASN A 15 -17.924 -1.081 9.583 1.00 0.00 C ATOM 230 O ASN A 15 -18.489 -0.575 10.559 1.00 0.00 O ATOM 231 CB ASN A 15 -16.721 -2.681 11.114 1.00 0.00 C ATOM 232 CG ASN A 15 -17.823 -3.099 12.048 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.812 -3.717 11.639 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.696 -2.695 13.287 1.00 0.00 N ATOM 0 H ASN A 15 -16.169 -3.262 8.051 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.888 -3.235 9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.949 -3.450 11.110 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.261 -1.769 11.494 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.434 -2.887 13.964 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.859 -2.188 13.575 1.00 0.00 H new ATOM 241 N GLY A 16 -17.927 -0.513 8.356 1.00 0.00 N ATOM 242 CA GLY A 16 -18.549 0.794 8.079 1.00 0.00 C ATOM 243 C GLY A 16 -17.746 1.981 8.600 1.00 0.00 C ATOM 244 O GLY A 16 -18.187 3.129 8.475 1.00 0.00 O ATOM 0 H GLY A 16 -17.500 -0.947 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.682 0.902 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.543 0.815 8.527 1.00 0.00 H new ATOM 248 N LYS A 17 -16.570 1.707 9.186 1.00 0.00 N ATOM 249 CA LYS A 17 -15.698 2.727 9.806 1.00 0.00 C ATOM 250 C LYS A 17 -14.481 2.997 8.905 1.00 0.00 C ATOM 251 O LYS A 17 -14.068 2.124 8.137 1.00 0.00 O ATOM 252 CB LYS A 17 -15.243 2.283 11.197 1.00 0.00 C ATOM 253 CG LYS A 17 -16.373 2.113 12.204 1.00 0.00 C ATOM 254 CD LYS A 17 -15.896 1.387 13.453 1.00 0.00 C ATOM 255 CE LYS A 17 -14.975 2.265 14.288 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.322 1.502 15.386 1.00 0.00 N ATOM 0 H LYS A 17 -16.190 0.762 9.245 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.269 3.649 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.708 1.338 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.534 3.015 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.769 3.091 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.190 1.555 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.756 1.086 14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.372 0.475 13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.210 2.702 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.547 3.091 14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.784 2.155 15.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.048 1.022 15.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.676 0.795 14.981 1.00 0.00 H new ATOM 270 N THR A 18 -13.904 4.206 9.019 1.00 0.00 N ATOM 271 CA THR A 18 -12.703 4.604 8.260 1.00 0.00 C ATOM 272 C THR A 18 -11.466 4.513 9.175 1.00 0.00 C ATOM 273 O THR A 18 -11.400 5.188 10.210 1.00 0.00 O ATOM 274 CB THR A 18 -12.823 6.032 7.696 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.937 6.101 6.797 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.553 6.420 6.955 1.00 0.00 C ATOM 0 H THR A 18 -14.256 4.935 9.639 1.00 0.00 H new ATOM 0 HA THR A 18 -12.601 3.923 7.415 1.00 0.00 H new ATOM 0 HB THR A 18 -12.973 6.723 8.525 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.013 7.010 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.655 7.432 6.563 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.706 6.380 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.387 5.727 6.131 1.00 0.00 H new ATOM 284 N TYR A 19 -10.487 3.680 8.786 1.00 0.00 N ATOM 285 CA TYR A 19 -9.192 3.585 9.486 1.00 0.00 C ATOM 286 C TYR A 19 -8.109 4.059 8.518 1.00 0.00 C ATOM 287 O TYR A 19 -7.845 3.399 7.514 1.00 0.00 O ATOM 288 CB TYR A 19 -8.909 2.157 9.960 1.00 0.00 C ATOM 289 CG TYR A 19 -9.984 1.586 10.858 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.973 1.828 12.223 1.00 0.00 C ATOM 291 CD2 TYR A 19 -11.005 0.804 10.337 1.00 0.00 C ATOM 292 CE1 TYR A 19 -10.952 1.309 13.048 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.990 0.280 11.153 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.959 0.534 12.509 1.00 0.00 C ATOM 295 OH TYR A 19 -12.936 0.013 13.327 1.00 0.00 O ATOM 0 H TYR A 19 -10.568 3.056 7.983 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.210 4.209 10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.796 1.511 9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.958 2.143 10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.186 2.433 12.649 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.030 0.601 9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.930 1.509 14.109 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.779 -0.325 10.732 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.433 -0.679 12.843 1.00 0.00 H new ATOM 305 N GLU A 20 -7.504 5.219 8.811 1.00 0.00 N ATOM 306 CA GLU A 20 -6.537 5.868 7.910 1.00 0.00 C ATOM 307 C GLU A 20 -5.312 6.321 8.712 1.00 0.00 C ATOM 308 O GLU A 20 -5.435 6.859 9.824 1.00 0.00 O ATOM 309 CB GLU A 20 -7.173 7.058 7.188 1.00 0.00 C ATOM 310 CG GLU A 20 -6.237 7.791 6.238 1.00 0.00 C ATOM 311 CD GLU A 20 -6.957 8.876 5.489 1.00 0.00 C ATOM 312 OE1 GLU A 20 -8.128 9.059 5.725 1.00 0.00 O ATOM 313 OE2 GLU A 20 -6.314 9.598 4.764 1.00 0.00 O ATOM 0 H GLU A 20 -7.670 5.733 9.676 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.226 5.147 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.038 6.706 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.542 7.764 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.409 8.223 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.806 7.083 5.531 1.00 0.00 H new ATOM 320 N ARG A 21 -4.120 6.068 8.142 1.00 0.00 N ATOM 321 CA ARG A 21 -2.836 6.386 8.780 1.00 0.00 C ATOM 322 C ARG A 21 -1.759 6.624 7.713 1.00 0.00 C ATOM 323 O ARG A 21 -1.682 5.878 6.734 1.00 0.00 O ATOM 324 CB ARG A 21 -2.407 5.328 9.786 1.00 0.00 C ATOM 325 CG ARG A 21 -1.163 5.675 10.589 1.00 0.00 C ATOM 326 CD ARG A 21 -0.831 4.697 11.656 1.00 0.00 C ATOM 327 NE ARG A 21 0.478 4.887 12.261 1.00 0.00 N ATOM 328 CZ ARG A 21 0.885 4.300 13.404 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.080 3.519 14.087 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.110 4.553 13.832 1.00 0.00 N ATOM 0 H ARG A 21 -4.023 5.636 7.223 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.969 7.306 9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.230 5.150 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.230 4.393 9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.316 5.753 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.300 6.657 11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.590 4.757 12.436 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.882 3.691 11.239 1.00 0.00 H new ATOM 0 HE ARG A 21 1.134 5.508 11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.869 3.349 13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.404 3.082 14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.717 5.177 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.448 4.124 14.694 1.00 0.00 H new ATOM 344 N THR A 22 -0.935 7.662 7.922 1.00 0.00 N ATOM 345 CA THR A 22 0.233 7.951 7.085 1.00 0.00 C ATOM 346 C THR A 22 1.506 7.373 7.742 1.00 0.00 C ATOM 347 O THR A 22 1.753 7.593 8.933 1.00 0.00 O ATOM 348 CB THR A 22 0.408 9.464 6.859 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.749 9.988 6.194 1.00 0.00 O ATOM 350 CG2 THR A 22 1.642 9.737 6.012 1.00 0.00 C ATOM 0 H THR A 22 -1.064 8.328 8.684 1.00 0.00 H new ATOM 0 HA THR A 22 0.072 7.481 6.115 1.00 0.00 H new ATOM 0 HB THR A 22 0.529 9.949 7.828 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.637 10.951 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.750 10.811 5.862 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.525 9.351 6.521 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.536 9.245 5.045 1.00 0.00 H new ATOM 358 N TYR A 23 2.285 6.610 6.959 1.00 0.00 N ATOM 359 CA TYR A 23 3.486 5.903 7.439 1.00 0.00 C ATOM 360 C TYR A 23 4.728 6.496 6.766 1.00 0.00 C ATOM 361 O TYR A 23 4.718 6.759 5.566 1.00 0.00 O ATOM 362 CB TYR A 23 3.398 4.383 7.114 1.00 0.00 C ATOM 363 CG TYR A 23 2.207 3.655 7.756 1.00 0.00 C ATOM 364 CD1 TYR A 23 0.954 3.607 7.131 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.349 3.001 8.984 1.00 0.00 C ATOM 366 CE1 TYR A 23 -0.106 2.936 7.717 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.295 2.333 9.570 1.00 0.00 C ATOM 368 CZ TYR A 23 0.071 2.304 8.937 1.00 0.00 C ATOM 369 OH TYR A 23 -0.976 1.629 9.521 1.00 0.00 O ATOM 0 H TYR A 23 2.099 6.464 5.967 1.00 0.00 H new ATOM 0 HA TYR A 23 3.553 6.025 8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.341 4.260 6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.319 3.902 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.813 4.100 6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.306 3.020 9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.067 2.905 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.428 1.835 10.519 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.682 1.243 10.372 1.00 0.00 H new ATOM 379 N GLN A 24 5.802 6.687 7.544 1.00 0.00 N ATOM 380 CA GLN A 24 7.105 7.102 7.008 1.00 0.00 C ATOM 381 C GLN A 24 7.965 5.843 6.813 1.00 0.00 C ATOM 382 O GLN A 24 8.275 5.136 7.778 1.00 0.00 O ATOM 383 CB GLN A 24 7.803 8.090 7.946 1.00 0.00 C ATOM 384 CG GLN A 24 7.248 9.503 7.887 1.00 0.00 C ATOM 385 CD GLN A 24 5.969 9.656 8.687 1.00 0.00 C ATOM 386 OE1 GLN A 24 5.762 8.970 9.693 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.098 10.556 8.244 1.00 0.00 N ATOM 0 H GLN A 24 5.793 6.559 8.556 1.00 0.00 H new ATOM 0 HA GLN A 24 6.961 7.613 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.722 7.722 8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.865 8.118 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.996 10.200 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.058 9.773 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.309 11.102 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.218 10.701 8.739 1.00 0.00 H new ATOM 396 N LEU A 25 8.341 5.567 5.549 1.00 0.00 N ATOM 397 CA LEU A 25 9.264 4.474 5.185 1.00 0.00 C ATOM 398 C LEU A 25 10.583 5.071 4.675 1.00 0.00 C ATOM 399 O LEU A 25 10.577 5.976 3.842 1.00 0.00 O ATOM 400 CB LEU A 25 8.636 3.560 4.126 1.00 0.00 C ATOM 401 CG LEU A 25 7.335 2.867 4.549 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.862 1.926 3.450 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.563 2.107 5.848 1.00 0.00 C ATOM 0 H LEU A 25 8.010 6.101 4.745 1.00 0.00 H new ATOM 0 HA LEU A 25 9.464 3.867 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.440 4.150 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.363 2.796 3.852 1.00 0.00 H new ATOM 0 HG LEU A 25 6.561 3.617 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.938 1.439 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.684 2.494 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.625 1.170 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.638 1.615 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.341 1.358 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.873 2.803 6.627 1.00 0.00 H new ATOM 415 N TYR A 26 11.704 4.565 5.195 1.00 0.00 N ATOM 416 CA TYR A 26 13.041 5.125 4.946 1.00 0.00 C ATOM 417 C TYR A 26 13.977 3.987 4.515 1.00 0.00 C ATOM 418 O TYR A 26 14.479 3.233 5.361 1.00 0.00 O ATOM 419 CB TYR A 26 13.585 5.831 6.189 1.00 0.00 C ATOM 420 CG TYR A 26 14.656 6.857 5.892 1.00 0.00 C ATOM 421 CD1 TYR A 26 14.325 8.114 5.408 1.00 0.00 C ATOM 422 CD2 TYR A 26 15.997 6.566 6.098 1.00 0.00 C ATOM 423 CE1 TYR A 26 15.299 9.055 5.134 1.00 0.00 C ATOM 424 CE2 TYR A 26 16.980 7.498 5.828 1.00 0.00 C ATOM 425 CZ TYR A 26 16.626 8.742 5.347 1.00 0.00 C ATOM 426 OH TYR A 26 17.602 9.674 5.077 1.00 0.00 O ATOM 0 H TYR A 26 11.713 3.748 5.806 1.00 0.00 H new ATOM 0 HA TYR A 26 12.977 5.871 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.760 6.321 6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.991 5.084 6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.287 8.362 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.277 5.594 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.024 10.028 4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.019 7.255 5.992 1.00 0.00 H new ATOM 0 HH TYR A 26 18.482 9.295 5.282 1.00 0.00 H new ATOM 436 N ALA A 27 14.199 3.870 3.205 1.00 0.00 N ATOM 437 CA ALA A 27 14.839 2.691 2.597 1.00 0.00 C ATOM 438 C ALA A 27 15.744 3.138 1.451 1.00 0.00 C ATOM 439 O ALA A 27 15.341 3.967 0.621 1.00 0.00 O ATOM 440 CB ALA A 27 13.798 1.674 2.098 1.00 0.00 C ATOM 0 H ALA A 27 13.941 4.589 2.530 1.00 0.00 H new ATOM 0 HA ALA A 27 15.437 2.193 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.308 0.818 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.186 1.339 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.161 2.143 1.348 1.00 0.00 H new ATOM 446 N VAL A 28 16.966 2.593 1.436 1.00 0.00 N ATOM 447 CA VAL A 28 17.960 2.853 0.393 1.00 0.00 C ATOM 448 C VAL A 28 17.479 2.231 -0.933 1.00 0.00 C ATOM 449 O VAL A 28 17.412 2.907 -1.966 1.00 0.00 O ATOM 450 CB VAL A 28 19.343 2.285 0.763 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.269 2.310 -0.444 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.950 3.070 1.915 1.00 0.00 C ATOM 0 H VAL A 28 17.295 1.951 2.158 1.00 0.00 H new ATOM 0 HA VAL A 28 18.066 3.933 0.288 1.00 0.00 H new ATOM 0 HB VAL A 28 19.217 1.250 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.242 1.905 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.841 1.706 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.389 3.337 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.927 2.655 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.063 4.114 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.296 3.004 2.785 1.00 0.00 H new ATOM 462 N ARG A 29 17.124 0.935 -0.872 1.00 0.00 N ATOM 463 CA ARG A 29 16.703 0.158 -2.047 1.00 0.00 C ATOM 464 C ARG A 29 15.177 0.002 -2.104 1.00 0.00 C ATOM 465 O ARG A 29 14.479 -0.006 -1.077 1.00 0.00 O ATOM 466 CB ARG A 29 17.402 -1.191 -2.118 1.00 0.00 C ATOM 467 CG ARG A 29 18.895 -1.124 -2.403 1.00 0.00 C ATOM 468 CD ARG A 29 19.615 -2.408 -2.198 1.00 0.00 C ATOM 469 NE ARG A 29 19.657 -2.862 -0.817 1.00 0.00 N ATOM 470 CZ ARG A 29 20.064 -4.086 -0.427 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.428 -4.991 -1.307 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.065 -4.360 0.866 1.00 0.00 N ATOM 0 H ARG A 29 17.122 0.398 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 29 17.008 0.724 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.250 -1.713 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.925 -1.791 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.042 -0.799 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.342 -0.364 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.139 -3.178 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.636 -2.300 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 29 19.358 -2.209 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.405 -4.772 -2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.733 -5.913 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.763 -3.654 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.368 -5.278 1.193 1.00 0.00 H new ATOM 486 N ASP A 30 14.703 -0.149 -3.340 1.00 0.00 N ATOM 487 CA ASP A 30 13.300 -0.415 -3.690 1.00 0.00 C ATOM 488 C ASP A 30 12.814 -1.752 -3.069 1.00 0.00 C ATOM 489 O ASP A 30 11.678 -1.856 -2.592 1.00 0.00 O ATOM 490 CB ASP A 30 13.127 -0.440 -5.210 1.00 0.00 C ATOM 491 CG ASP A 30 13.205 0.928 -5.875 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.162 1.911 -5.173 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.464 0.980 -7.053 1.00 0.00 O ATOM 0 H ASP A 30 15.306 -0.088 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 30 12.690 0.390 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.894 -1.084 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.163 -0.891 -5.446 1.00 0.00 H new ATOM 498 N GLU A 31 13.717 -2.760 -3.083 1.00 0.00 N ATOM 499 CA GLU A 31 13.484 -4.089 -2.491 1.00 0.00 C ATOM 500 C GLU A 31 13.356 -4.012 -0.963 1.00 0.00 C ATOM 501 O GLU A 31 12.549 -4.730 -0.365 1.00 0.00 O ATOM 502 CB GLU A 31 14.613 -5.049 -2.873 1.00 0.00 C ATOM 503 CG GLU A 31 14.621 -5.461 -4.338 1.00 0.00 C ATOM 504 CD GLU A 31 15.794 -6.348 -4.650 1.00 0.00 C ATOM 505 OE1 GLU A 31 16.591 -6.577 -3.773 1.00 0.00 O ATOM 506 OE2 GLU A 31 15.836 -6.886 -5.731 1.00 0.00 O ATOM 0 H GLU A 31 14.638 -2.667 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 31 12.542 -4.466 -2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.568 -4.580 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.535 -5.945 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.694 -5.983 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.657 -4.572 -4.968 1.00 0.00 H new ATOM 513 N GLU A 32 14.149 -3.118 -0.354 1.00 0.00 N ATOM 514 CA GLU A 32 14.094 -2.851 1.087 1.00 0.00 C ATOM 515 C GLU A 32 12.733 -2.237 1.454 1.00 0.00 C ATOM 516 O GLU A 32 12.161 -2.553 2.494 1.00 0.00 O ATOM 517 CB GLU A 32 15.232 -1.920 1.510 1.00 0.00 C ATOM 518 CG GLU A 32 16.614 -2.559 1.473 1.00 0.00 C ATOM 519 CD GLU A 32 17.697 -1.528 1.632 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.379 -0.366 1.708 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.832 -1.909 1.792 1.00 0.00 O ATOM 0 H GLU A 32 14.846 -2.561 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 32 14.213 -3.794 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.232 -1.046 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.037 -1.564 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.695 -3.301 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.748 -3.087 0.529 1.00 0.00 H new ATOM 528 N LEU A 33 12.222 -1.383 0.544 1.00 0.00 N ATOM 529 CA LEU A 33 10.900 -0.755 0.663 1.00 0.00 C ATOM 530 C LEU A 33 9.771 -1.812 0.512 1.00 0.00 C ATOM 531 O LEU A 33 8.775 -1.732 1.224 1.00 0.00 O ATOM 532 CB LEU A 33 10.751 0.408 -0.388 1.00 0.00 C ATOM 533 CG LEU A 33 9.857 1.638 0.029 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.365 1.281 0.146 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.361 2.292 1.331 1.00 0.00 C ATOM 0 H LEU A 33 12.724 -1.110 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 33 10.807 -0.320 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.748 0.779 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.340 -0.014 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 33 9.950 2.363 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.800 2.167 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.001 0.917 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.235 0.505 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.720 3.136 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.337 1.560 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.383 2.643 1.190 1.00 0.00 H new ATOM 547 N LYS A 34 9.958 -2.807 -0.405 1.00 0.00 N ATOM 548 CA LYS A 34 8.929 -3.834 -0.701 1.00 0.00 C ATOM 549 C LYS A 34 8.500 -4.586 0.566 1.00 0.00 C ATOM 550 O LYS A 34 7.305 -4.687 0.862 1.00 0.00 O ATOM 551 CB LYS A 34 9.445 -4.828 -1.744 1.00 0.00 C ATOM 552 CG LYS A 34 9.369 -4.330 -3.181 1.00 0.00 C ATOM 553 CD LYS A 34 9.994 -5.326 -4.146 1.00 0.00 C ATOM 554 CE LYS A 34 9.205 -6.627 -4.188 1.00 0.00 C ATOM 555 NZ LYS A 34 9.835 -7.631 -5.087 1.00 0.00 N ATOM 0 H LYS A 34 10.814 -2.914 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 34 8.057 -3.315 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.481 -5.074 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.872 -5.752 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.328 -4.160 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.881 -3.371 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.035 -4.891 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.021 -5.531 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.130 -7.038 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.189 -6.424 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.267 -8.502 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.884 -7.249 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.795 -7.844 -4.750 1.00 0.00 H new ATOM 569 N GLU A 35 9.496 -5.102 1.313 1.00 0.00 N ATOM 570 CA GLU A 35 9.256 -5.813 2.577 1.00 0.00 C ATOM 571 C GLU A 35 8.631 -4.891 3.642 1.00 0.00 C ATOM 572 O GLU A 35 7.811 -5.349 4.432 1.00 0.00 O ATOM 573 CB GLU A 35 10.562 -6.411 3.104 1.00 0.00 C ATOM 574 CG GLU A 35 11.673 -5.396 3.329 1.00 0.00 C ATOM 575 CD GLU A 35 12.921 -6.056 3.846 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.921 -7.256 3.984 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.909 -5.378 3.998 1.00 0.00 O ATOM 0 H GLU A 35 10.481 -5.037 1.057 1.00 0.00 H new ATOM 0 HA GLU A 35 8.547 -6.615 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.359 -6.924 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.913 -7.165 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.892 -4.881 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.339 -4.639 4.039 1.00 0.00 H new ATOM 584 N LYS A 36 8.997 -3.590 3.616 1.00 0.00 N ATOM 585 CA LYS A 36 8.459 -2.579 4.547 1.00 0.00 C ATOM 586 C LYS A 36 6.974 -2.327 4.265 1.00 0.00 C ATOM 587 O LYS A 36 6.202 -2.130 5.195 1.00 0.00 O ATOM 588 CB LYS A 36 9.245 -1.272 4.447 1.00 0.00 C ATOM 589 CG LYS A 36 10.633 -1.321 5.071 1.00 0.00 C ATOM 590 CD LYS A 36 11.395 -0.027 4.830 1.00 0.00 C ATOM 591 CE LYS A 36 12.763 -0.057 5.496 1.00 0.00 C ATOM 592 NZ LYS A 36 13.657 -1.078 4.886 1.00 0.00 N ATOM 0 H LYS A 36 9.672 -3.214 2.950 1.00 0.00 H new ATOM 0 HA LYS A 36 8.563 -2.965 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.342 -1.001 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.672 -0.480 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.546 -1.500 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.192 -2.158 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.514 0.133 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.819 0.814 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.227 0.926 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.644 -0.267 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.885 -1.806 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.178 -1.520 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.534 -0.623 4.563 1.00 0.00 H new ATOM 606 N LEU A 37 6.605 -2.330 2.964 1.00 0.00 N ATOM 607 CA LEU A 37 5.204 -2.239 2.515 1.00 0.00 C ATOM 608 C LEU A 37 4.394 -3.435 3.037 1.00 0.00 C ATOM 609 O LEU A 37 3.249 -3.265 3.452 1.00 0.00 O ATOM 610 CB LEU A 37 5.136 -2.172 0.983 1.00 0.00 C ATOM 611 CG LEU A 37 5.613 -0.850 0.367 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.726 -0.991 -1.144 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.641 0.263 0.734 1.00 0.00 C ATOM 0 H LEU A 37 7.274 -2.396 2.197 1.00 0.00 H new ATOM 0 HA LEU A 37 4.770 -1.325 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.737 -2.984 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.106 -2.349 0.673 1.00 0.00 H new ATOM 0 HG LEU A 37 6.598 -0.599 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.065 -0.048 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.442 -1.777 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.752 -1.249 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.981 1.202 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.650 0.021 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.596 0.364 1.818 1.00 0.00 H new ATOM 625 N LYS A 38 5.004 -4.650 2.999 1.00 0.00 N ATOM 626 CA LYS A 38 4.409 -5.869 3.585 1.00 0.00 C ATOM 627 C LYS A 38 4.175 -5.695 5.094 1.00 0.00 C ATOM 628 O LYS A 38 3.117 -6.075 5.601 1.00 0.00 O ATOM 629 CB LYS A 38 5.303 -7.083 3.328 1.00 0.00 C ATOM 630 CG LYS A 38 5.373 -7.516 1.869 1.00 0.00 C ATOM 631 CD LYS A 38 6.302 -8.707 1.689 1.00 0.00 C ATOM 632 CE LYS A 38 6.443 -9.083 0.222 1.00 0.00 C ATOM 633 NZ LYS A 38 7.393 -10.212 0.026 1.00 0.00 N ATOM 0 H LYS A 38 5.914 -4.805 2.564 1.00 0.00 H new ATOM 0 HA LYS A 38 3.445 -6.036 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.311 -6.857 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.940 -7.919 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.375 -7.774 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.722 -6.684 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.283 -8.471 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.917 -9.559 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.467 -9.357 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.787 -8.217 -0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.460 -10.437 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.331 -9.942 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.052 -11.047 0.544 1.00 0.00 H new ATOM 647 N LYS A 39 5.174 -5.111 5.797 1.00 0.00 N ATOM 648 CA LYS A 39 5.103 -4.877 7.257 1.00 0.00 C ATOM 649 C LYS A 39 3.933 -3.923 7.583 1.00 0.00 C ATOM 650 O LYS A 39 3.121 -4.217 8.452 1.00 0.00 O ATOM 651 CB LYS A 39 6.420 -4.301 7.782 1.00 0.00 C ATOM 652 CG LYS A 39 7.576 -5.293 7.801 1.00 0.00 C ATOM 653 CD LYS A 39 8.846 -4.651 8.338 1.00 0.00 C ATOM 654 CE LYS A 39 10.010 -5.632 8.328 1.00 0.00 C ATOM 655 NZ LYS A 39 11.258 -5.021 8.860 1.00 0.00 N ATOM 0 H LYS A 39 6.044 -4.792 5.372 1.00 0.00 H new ATOM 0 HA LYS A 39 4.930 -5.833 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.700 -3.447 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.262 -3.927 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.311 -6.152 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.753 -5.667 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.098 -3.779 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.675 -4.297 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.752 -6.507 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.182 -5.980 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.026 -5.722 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.519 -4.201 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.102 -4.712 9.841 1.00 0.00 H new ATOM 669 N VAL A 40 3.859 -2.810 6.821 1.00 0.00 N ATOM 670 CA VAL A 40 2.813 -1.766 6.937 1.00 0.00 C ATOM 671 C VAL A 40 1.404 -2.323 6.641 1.00 0.00 C ATOM 672 O VAL A 40 0.453 -2.044 7.381 1.00 0.00 O ATOM 673 CB VAL A 40 3.092 -0.586 5.987 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.887 0.342 5.922 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.329 0.179 6.435 1.00 0.00 C ATOM 0 H VAL A 40 4.541 -2.606 6.090 1.00 0.00 H new ATOM 0 HA VAL A 40 2.843 -1.418 7.969 1.00 0.00 H new ATOM 0 HB VAL A 40 3.276 -0.984 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.101 1.170 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.022 -0.210 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.674 0.732 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.511 1.009 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.173 0.565 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.191 -0.489 6.432 1.00 0.00 H new ATOM 685 N LEU A 41 1.291 -3.119 5.564 1.00 0.00 N ATOM 686 CA LEU A 41 0.041 -3.803 5.206 1.00 0.00 C ATOM 687 C LEU A 41 -0.369 -4.793 6.310 1.00 0.00 C ATOM 688 O LEU A 41 -1.513 -4.777 6.737 1.00 0.00 O ATOM 689 CB LEU A 41 0.169 -4.490 3.816 1.00 0.00 C ATOM 690 CG LEU A 41 0.014 -3.530 2.584 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.493 -4.196 1.278 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.447 -3.034 2.451 1.00 0.00 C ATOM 0 H LEU A 41 2.061 -3.304 4.921 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.755 -3.063 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.142 -4.978 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.585 -5.273 3.744 1.00 0.00 H new ATOM 0 HG LEU A 41 0.653 -2.665 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.370 -3.500 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.545 -4.466 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.097 -5.093 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.529 -2.370 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.110 -3.888 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.731 -2.494 3.354 1.00 0.00 H new ATOM 704 N ASN A 42 0.573 -5.640 6.775 1.00 0.00 N ATOM 705 CA ASN A 42 0.300 -6.642 7.836 1.00 0.00 C ATOM 706 C ASN A 42 -0.134 -5.968 9.158 1.00 0.00 C ATOM 707 O ASN A 42 -1.093 -6.420 9.793 1.00 0.00 O ATOM 708 CB ASN A 42 1.504 -7.534 8.079 1.00 0.00 C ATOM 709 CG ASN A 42 1.727 -8.556 7.000 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.816 -8.889 6.235 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.911 -9.113 6.987 1.00 0.00 N ATOM 0 H ASN A 42 1.534 -5.652 6.433 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.524 -7.261 7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.394 -6.911 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.378 -8.047 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.116 -9.860 6.323 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.629 -8.800 7.641 1.00 0.00 H new ATOM 718 N GLU A 43 0.571 -4.890 9.570 1.00 0.00 N ATOM 719 CA GLU A 43 0.261 -4.168 10.817 1.00 0.00 C ATOM 720 C GLU A 43 -1.119 -3.505 10.729 1.00 0.00 C ATOM 721 O GLU A 43 -1.886 -3.541 11.689 1.00 0.00 O ATOM 722 CB GLU A 43 1.332 -3.118 11.119 1.00 0.00 C ATOM 723 CG GLU A 43 2.663 -3.692 11.583 1.00 0.00 C ATOM 724 CD GLU A 43 3.706 -2.618 11.711 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.417 -1.493 11.382 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.756 -2.898 12.242 1.00 0.00 O ATOM 0 H GLU A 43 1.360 -4.503 9.053 1.00 0.00 H new ATOM 0 HA GLU A 43 0.249 -4.893 11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.501 -2.521 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.955 -2.442 11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.531 -4.190 12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.002 -4.448 10.875 1.00 0.00 H new ATOM 733 N ARG A 44 -1.423 -2.927 9.552 1.00 0.00 N ATOM 734 CA ARG A 44 -2.730 -2.295 9.273 1.00 0.00 C ATOM 735 C ARG A 44 -3.868 -3.335 9.310 1.00 0.00 C ATOM 736 O ARG A 44 -4.927 -3.063 9.874 1.00 0.00 O ATOM 737 CB ARG A 44 -2.727 -1.521 7.964 1.00 0.00 C ATOM 738 CG ARG A 44 -4.034 -0.816 7.634 1.00 0.00 C ATOM 739 CD ARG A 44 -4.223 0.480 8.335 1.00 0.00 C ATOM 740 NE ARG A 44 -4.833 0.372 9.650 1.00 0.00 N ATOM 741 CZ ARG A 44 -5.107 1.416 10.455 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.795 2.644 10.103 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.678 1.173 11.622 1.00 0.00 N ATOM 0 H ARG A 44 -0.772 -2.884 8.768 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.911 -1.569 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.930 -0.779 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.487 -2.208 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.079 -0.644 6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.863 -1.477 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.254 0.968 8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.842 1.128 7.714 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.070 -0.561 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.338 2.817 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.010 3.423 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.899 0.215 11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.897 1.944 12.253 1.00 0.00 H new ATOM 757 N MET A 45 -3.631 -4.528 8.731 1.00 0.00 N ATOM 758 CA MET A 45 -4.688 -5.543 8.551 1.00 0.00 C ATOM 759 C MET A 45 -4.817 -6.484 9.762 1.00 0.00 C ATOM 760 O MET A 45 -5.823 -7.187 9.861 1.00 0.00 O ATOM 761 CB MET A 45 -4.415 -6.358 7.288 1.00 0.00 C ATOM 762 CG MET A 45 -4.386 -5.541 6.005 1.00 0.00 C ATOM 763 SD MET A 45 -5.880 -4.555 5.774 1.00 0.00 S ATOM 764 CE MET A 45 -7.084 -5.838 5.448 1.00 0.00 C ATOM 0 H MET A 45 -2.717 -4.813 8.380 1.00 0.00 H new ATOM 0 HA MET A 45 -5.634 -5.009 8.455 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.459 -6.869 7.400 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.180 -7.129 7.196 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.519 -4.881 6.019 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.263 -6.212 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.077 -5.394 5.372 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.837 -6.339 4.512 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.072 -6.563 6.262 1.00 0.00 H new ATOM 774 N ASP A 46 -3.821 -6.503 10.680 1.00 0.00 N ATOM 775 CA ASP A 46 -3.908 -7.330 11.909 1.00 0.00 C ATOM 776 C ASP A 46 -5.210 -7.021 12.718 1.00 0.00 C ATOM 777 O ASP A 46 -5.973 -7.966 12.998 1.00 0.00 O ATOM 778 CB ASP A 46 -2.675 -7.105 12.787 1.00 0.00 C ATOM 779 CG ASP A 46 -1.433 -7.860 12.333 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.561 -8.732 11.508 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.353 -7.458 12.695 1.00 0.00 O ATOM 0 H ASP A 46 -2.959 -5.964 10.596 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.945 -8.376 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.449 -6.039 12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.912 -7.402 13.809 1.00 0.00 H new ATOM 786 N PRO A 47 -5.514 -5.716 13.104 1.00 0.00 N ATOM 787 CA PRO A 47 -6.744 -5.389 13.864 1.00 0.00 C ATOM 788 C PRO A 47 -8.013 -5.565 13.009 1.00 0.00 C ATOM 789 O PRO A 47 -9.073 -5.835 13.548 1.00 0.00 O ATOM 790 CB PRO A 47 -6.544 -3.932 14.292 1.00 0.00 C ATOM 791 CG PRO A 47 -5.614 -3.369 13.271 1.00 0.00 C ATOM 792 CD PRO A 47 -4.675 -4.494 12.925 1.00 0.00 C ATOM 0 HA PRO A 47 -6.891 -6.054 14.715 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.489 -3.390 14.310 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.120 -3.867 15.294 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.158 -3.026 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.071 -2.510 13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.304 -4.408 11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.804 -4.506 13.580 1.00 0.00 H new ATOM 800 N ILE A 48 -7.850 -5.492 11.671 1.00 0.00 N ATOM 801 CA ILE A 48 -8.956 -5.609 10.699 1.00 0.00 C ATOM 802 C ILE A 48 -9.508 -7.053 10.666 1.00 0.00 C ATOM 803 O ILE A 48 -10.707 -7.268 10.420 1.00 0.00 O ATOM 804 CB ILE A 48 -8.512 -5.204 9.281 1.00 0.00 C ATOM 805 CG1 ILE A 48 -7.913 -3.795 9.293 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.683 -5.280 8.315 1.00 0.00 C ATOM 807 CD1 ILE A 48 -8.877 -2.725 9.749 1.00 0.00 C ATOM 0 H ILE A 48 -6.940 -5.349 11.232 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.740 -4.927 11.027 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.745 -5.902 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.041 -3.787 9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.562 -3.551 8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.351 -4.991 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.067 -6.300 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.472 -4.604 8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.380 -1.755 9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.739 -2.704 9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.209 -2.943 10.764 1.00 0.00 H new ATOM 819 N LYS A 49 -8.625 -8.040 10.943 1.00 0.00 N ATOM 820 CA LYS A 49 -9.030 -9.447 11.094 1.00 0.00 C ATOM 821 C LYS A 49 -9.839 -9.617 12.389 1.00 0.00 C ATOM 822 O LYS A 49 -10.843 -10.321 12.415 1.00 0.00 O ATOM 823 CB LYS A 49 -7.810 -10.369 11.099 1.00 0.00 C ATOM 824 CG LYS A 49 -7.086 -10.465 9.763 1.00 0.00 C ATOM 825 CD LYS A 49 -5.923 -11.444 9.831 1.00 0.00 C ATOM 826 CE LYS A 49 -5.155 -11.484 8.518 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.150 -12.581 8.496 1.00 0.00 N ATOM 0 H LYS A 49 -7.625 -7.882 11.066 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.654 -9.724 10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.107 -10.017 11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.126 -11.368 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.786 -10.782 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.718 -9.480 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.250 -11.157 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.297 -12.440 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.854 -11.616 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.653 -10.529 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.580 -12.512 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.529 -12.500 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.638 -13.499 8.517 1.00 0.00 H new ATOM 841 N LYS A 50 -9.378 -8.954 13.464 1.00 0.00 N ATOM 842 CA LYS A 50 -10.088 -8.934 14.755 1.00 0.00 C ATOM 843 C LYS A 50 -11.466 -8.248 14.600 1.00 0.00 C ATOM 844 O LYS A 50 -12.440 -8.651 15.248 1.00 0.00 O ATOM 845 CB LYS A 50 -9.253 -8.218 15.818 1.00 0.00 C ATOM 846 CG LYS A 50 -7.967 -8.941 16.199 1.00 0.00 C ATOM 847 CD LYS A 50 -7.163 -8.142 17.214 1.00 0.00 C ATOM 848 CE LYS A 50 -5.815 -8.791 17.488 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.005 -8.005 18.459 1.00 0.00 N ATOM 0 H LYS A 50 -8.509 -8.420 13.463 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.245 -9.963 15.078 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.002 -7.221 15.455 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.861 -8.087 16.713 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.207 -9.921 16.612 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.364 -9.110 15.307 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.012 -7.128 16.844 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.726 -8.061 18.144 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.969 -9.798 17.876 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.264 -8.891 16.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.094 -8.482 18.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.835 -7.052 18.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.519 -7.931 19.360 1.00 0.00 H new ATOM 863 N LEU A 51 -11.544 -7.241 13.703 1.00 0.00 N ATOM 864 CA LEU A 51 -12.797 -6.496 13.440 1.00 0.00 C ATOM 865 C LEU A 51 -13.734 -7.386 12.604 1.00 0.00 C ATOM 866 O LEU A 51 -14.954 -7.216 12.645 1.00 0.00 O ATOM 867 CB LEU A 51 -12.511 -5.173 12.719 1.00 0.00 C ATOM 868 CG LEU A 51 -11.800 -4.109 13.565 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.443 -2.908 12.701 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.699 -3.694 14.720 1.00 0.00 C ATOM 0 H LEU A 51 -10.751 -6.924 13.146 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.277 -6.248 14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.902 -5.381 11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.455 -4.760 12.363 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.877 -4.524 13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.939 -2.158 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.782 -3.224 11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.352 -2.480 12.279 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.194 -2.938 15.321 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.629 -3.283 14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.919 -4.563 15.340 1.00 0.00 H new ATOM 882 N GLY A 52 -13.121 -8.324 11.847 1.00 0.00 N ATOM 883 CA GLY A 52 -13.827 -9.407 11.174 1.00 0.00 C ATOM 884 C GLY A 52 -14.492 -8.970 9.897 1.00 0.00 C ATOM 885 O GLY A 52 -15.667 -9.284 9.657 1.00 0.00 O ATOM 0 H GLY A 52 -12.113 -8.339 11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.124 -10.211 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.580 -9.817 11.848 1.00 0.00 H new ATOM 889 N CYS A 53 -13.728 -8.227 9.086 1.00 0.00 N ATOM 890 CA CYS A 53 -14.139 -7.835 7.744 1.00 0.00 C ATOM 891 C CYS A 53 -13.691 -8.892 6.732 1.00 0.00 C ATOM 892 O CYS A 53 -12.494 -9.205 6.636 1.00 0.00 O ATOM 893 CB CYS A 53 -13.590 -6.443 7.421 1.00 0.00 C ATOM 894 SG CYS A 53 -14.449 -5.157 8.376 1.00 0.00 S ATOM 0 H CYS A 53 -12.805 -7.883 9.349 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.226 -7.776 7.687 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.523 -6.411 7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.702 -6.244 6.355 1.00 0.00 H new ATOM 899 N LYS A 54 -14.692 -9.460 6.030 1.00 0.00 N ATOM 900 CA LYS A 54 -14.503 -10.450 4.969 1.00 0.00 C ATOM 901 C LYS A 54 -13.924 -9.786 3.711 1.00 0.00 C ATOM 902 O LYS A 54 -12.849 -10.144 3.275 1.00 0.00 O ATOM 903 CB LYS A 54 -15.823 -11.150 4.643 1.00 0.00 C ATOM 904 CG LYS A 54 -15.721 -12.216 3.559 1.00 0.00 C ATOM 905 CD LYS A 54 -17.045 -12.938 3.367 1.00 0.00 C ATOM 906 CE LYS A 54 -16.944 -13.999 2.280 1.00 0.00 C ATOM 907 NZ LYS A 54 -18.243 -14.693 2.058 1.00 0.00 N ATOM 0 H LYS A 54 -15.673 -9.233 6.194 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.795 -11.199 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.210 -11.610 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.550 -10.400 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.417 -11.754 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.947 -12.936 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.347 -13.403 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.820 -12.218 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.617 -13.535 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.184 -14.730 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.132 -15.407 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.543 -15.157 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.962 -13.999 1.770 1.00 0.00 H new ATOM 921 N ARG A 55 -14.648 -8.796 3.171 1.00 0.00 N ATOM 922 CA ARG A 55 -14.190 -7.973 2.032 1.00 0.00 C ATOM 923 C ARG A 55 -13.723 -6.610 2.567 1.00 0.00 C ATOM 924 O ARG A 55 -14.413 -5.992 3.388 1.00 0.00 O ATOM 925 CB ARG A 55 -15.242 -7.829 0.941 1.00 0.00 C ATOM 926 CG ARG A 55 -14.779 -7.080 -0.297 1.00 0.00 C ATOM 927 CD ARG A 55 -15.786 -7.016 -1.387 1.00 0.00 C ATOM 928 NE ARG A 55 -15.344 -6.305 -2.577 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.074 -6.165 -3.700 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.264 -6.715 -3.808 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.554 -5.478 -4.701 1.00 0.00 N ATOM 0 H ARG A 55 -15.574 -8.538 3.511 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.355 -8.482 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.575 -8.823 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.108 -7.314 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.505 -6.064 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.877 -7.557 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.063 -8.032 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.686 -6.534 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.416 -5.883 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.647 -7.258 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.804 -6.599 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.623 -5.071 -4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.083 -5.355 -5.564 1.00 0.00 H new ATOM 945 N VAL A 56 -12.544 -6.162 2.123 1.00 0.00 N ATOM 946 CA VAL A 56 -11.921 -4.906 2.586 1.00 0.00 C ATOM 947 C VAL A 56 -11.481 -4.070 1.371 1.00 0.00 C ATOM 948 O VAL A 56 -11.197 -4.624 0.304 1.00 0.00 O ATOM 949 CB VAL A 56 -10.707 -5.164 3.497 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.149 -5.811 4.802 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.686 -6.041 2.789 1.00 0.00 C ATOM 0 H VAL A 56 -11.987 -6.660 1.428 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.665 -4.364 3.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.239 -4.207 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.279 -5.987 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.845 -5.150 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.640 -6.760 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.835 -6.213 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.144 -6.996 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.347 -5.544 1.880 1.00 0.00 H new ATOM 961 N ARG A 57 -11.483 -2.738 1.531 1.00 0.00 N ATOM 962 CA ARG A 57 -10.995 -1.801 0.507 1.00 0.00 C ATOM 963 C ARG A 57 -9.832 -1.000 1.094 1.00 0.00 C ATOM 964 O ARG A 57 -9.985 -0.371 2.138 1.00 0.00 O ATOM 965 CB ARG A 57 -12.088 -0.899 -0.046 1.00 0.00 C ATOM 966 CG ARG A 57 -11.613 0.139 -1.051 1.00 0.00 C ATOM 967 CD ARG A 57 -12.697 0.982 -1.618 1.00 0.00 C ATOM 968 NE ARG A 57 -13.662 0.258 -2.428 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.797 0.789 -2.926 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.132 2.034 -2.667 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.578 0.017 -3.661 1.00 0.00 N ATOM 0 H ARG A 57 -11.824 -2.279 2.376 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.648 -2.376 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.848 -1.521 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.570 -0.385 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.880 0.786 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.100 -0.370 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.224 1.473 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.249 1.768 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.467 -0.722 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.530 2.613 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.994 2.421 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.316 -0.953 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.443 0.391 -4.051 1.00 0.00 H new ATOM 985 N ILE A 58 -8.676 -1.041 0.420 1.00 0.00 N ATOM 986 CA ILE A 58 -7.450 -0.355 0.863 1.00 0.00 C ATOM 987 C ILE A 58 -7.014 0.625 -0.244 1.00 0.00 C ATOM 988 O ILE A 58 -6.838 0.227 -1.391 1.00 0.00 O ATOM 989 CB ILE A 58 -6.308 -1.341 1.170 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.723 -2.310 2.281 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.046 -0.586 1.562 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.752 -3.449 2.490 1.00 0.00 C ATOM 0 H ILE A 58 -8.562 -1.554 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.667 0.177 1.789 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.097 -1.919 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.825 -1.756 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.705 -2.720 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.248 -1.297 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.742 0.065 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.243 0.016 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.113 -4.092 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.667 -4.028 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.774 -3.049 2.758 1.00 0.00 H new ATOM 1004 N SER A 59 -6.860 1.902 0.104 1.00 0.00 N ATOM 1005 CA SER A 59 -6.362 2.938 -0.811 1.00 0.00 C ATOM 1006 C SER A 59 -4.980 3.389 -0.310 1.00 0.00 C ATOM 1007 O SER A 59 -4.817 3.745 0.857 1.00 0.00 O ATOM 1008 CB SER A 59 -7.326 4.106 -0.886 1.00 0.00 C ATOM 1009 OG SER A 59 -8.508 3.771 -1.562 1.00 0.00 O ATOM 0 H SER A 59 -7.078 2.253 1.036 1.00 0.00 H new ATOM 0 HA SER A 59 -6.277 2.536 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.568 4.441 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.844 4.942 -1.392 1.00 0.00 H new ATOM 0 HG SER A 59 -9.102 4.550 -1.587 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.981 3.334 -1.205 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.592 3.711 -0.896 1.00 0.00 C ATOM 1017 C ILE A 60 -2.155 4.879 -1.791 1.00 0.00 C ATOM 1018 O ILE A 60 -2.220 4.786 -3.019 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.620 2.531 -1.086 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.987 1.382 -0.144 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.186 2.980 -0.850 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.188 0.120 -0.380 1.00 0.00 C ATOM 0 H ILE A 60 -4.114 3.025 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.560 4.010 0.152 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.703 2.175 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.839 1.707 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.047 1.156 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.488 2.134 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.070 3.767 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.087 3.361 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.505 -0.648 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.355 -0.231 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.128 0.329 -0.237 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.720 5.975 -1.154 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.150 7.145 -1.827 1.00 0.00 C ATOM 1036 C ARG A 61 0.334 7.224 -1.449 1.00 0.00 C ATOM 1037 O ARG A 61 0.669 7.142 -0.263 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.897 8.435 -1.523 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.425 9.648 -2.308 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.201 10.887 -2.047 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.833 12.018 -2.885 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.298 13.272 -2.725 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.175 13.555 -1.789 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -1.866 14.207 -3.552 1.00 0.00 N ATOM 0 H ARG A 61 -1.756 6.073 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.254 7.025 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.957 8.280 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.803 8.650 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.377 9.833 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.476 9.419 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.260 10.674 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.071 11.168 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.177 11.849 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.515 12.820 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.516 14.510 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.199 13.970 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.200 15.166 -3.456 1.00 0.00 H new ATOM 1058 N VAL A 62 1.215 7.367 -2.449 1.00 0.00 N ATOM 1059 CA VAL A 62 2.669 7.385 -2.224 1.00 0.00 C ATOM 1060 C VAL A 62 3.189 8.816 -2.435 1.00 0.00 C ATOM 1061 O VAL A 62 2.712 9.538 -3.326 1.00 0.00 O ATOM 1062 CB VAL A 62 3.414 6.417 -3.163 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.225 6.832 -4.614 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.894 6.369 -2.814 1.00 0.00 C ATOM 0 H VAL A 62 0.945 7.472 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 62 2.858 7.055 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 62 2.995 5.419 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.758 6.137 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.163 6.818 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.618 7.838 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.404 5.680 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.325 7.365 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.015 6.027 -1.786 1.00 0.00 H new ATOM 1074 N LYS A 63 4.123 9.249 -1.577 1.00 0.00 N ATOM 1075 CA LYS A 63 4.642 10.615 -1.604 1.00 0.00 C ATOM 1076 C LYS A 63 5.900 10.615 -2.484 1.00 0.00 C ATOM 1077 O LYS A 63 6.798 9.776 -2.327 1.00 0.00 O ATOM 1078 CB LYS A 63 4.953 11.123 -0.195 1.00 0.00 C ATOM 1079 CG LYS A 63 5.348 12.592 -0.128 1.00 0.00 C ATOM 1080 CD LYS A 63 5.618 13.028 1.304 1.00 0.00 C ATOM 1081 CE LYS A 63 6.013 14.496 1.371 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.223 14.952 2.772 1.00 0.00 N ATOM 0 H LYS A 63 4.535 8.663 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 63 3.893 11.291 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.078 10.966 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.761 10.523 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.238 12.759 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.552 13.204 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.728 12.861 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.413 12.416 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.927 14.652 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.236 15.102 0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.491 15.957 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.344 14.827 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.982 14.391 3.210 1.00 0.00 H new ATOM 1096 N HIS A 64 5.927 11.563 -3.416 1.00 0.00 N ATOM 1097 CA HIS A 64 7.085 11.879 -4.250 1.00 0.00 C ATOM 1098 C HIS A 64 7.527 13.325 -3.983 1.00 0.00 C ATOM 1099 O HIS A 64 6.689 14.219 -3.823 1.00 0.00 O ATOM 1100 CB HIS A 64 6.764 11.680 -5.736 1.00 0.00 C ATOM 1101 CG HIS A 64 6.330 10.288 -6.076 1.00 0.00 C ATOM 1102 ND1 HIS A 64 7.198 9.217 -6.072 1.00 0.00 N ATOM 1103 CD2 HIS A 64 5.121 9.794 -6.432 1.00 0.00 C ATOM 1104 CE1 HIS A 64 6.540 8.121 -6.411 1.00 0.00 C ATOM 1105 NE2 HIS A 64 5.280 8.444 -6.634 1.00 0.00 N ATOM 0 H HIS A 64 5.119 12.152 -3.619 1.00 0.00 H new ATOM 0 HA HIS A 64 7.898 11.200 -3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.978 12.377 -6.025 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.646 11.931 -6.326 1.00 0.00 H new ATOM 0 HD1 HIS A 64 8.191 9.263 -5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.204 10.355 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.962 7.130 -6.492 1.00 0.00 H new ATOM 1113 N SER A 65 8.851 13.530 -3.919 1.00 0.00 N ATOM 1114 CA SER A 65 9.458 14.832 -3.602 1.00 0.00 C ATOM 1115 C SER A 65 9.594 15.705 -4.862 1.00 0.00 C ATOM 1116 O SER A 65 9.148 16.857 -4.883 1.00 0.00 O ATOM 1117 CB SER A 65 10.812 14.629 -2.951 1.00 0.00 C ATOM 1118 OG SER A 65 10.710 13.976 -1.714 1.00 0.00 O ATOM 0 H SER A 65 9.535 12.792 -4.087 1.00 0.00 H new ATOM 0 HA SER A 65 8.802 15.353 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.450 14.047 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.295 15.596 -2.811 1.00 0.00 H new ATOM 0 HG SER A 65 11.604 13.863 -1.329 1.00 0.00 H new ATOM 1124 N ASP A 66 10.191 15.132 -5.921 1.00 0.00 N ATOM 1125 CA ASP A 66 10.469 15.866 -7.172 1.00 0.00 C ATOM 1126 C ASP A 66 9.214 15.892 -8.064 1.00 0.00 C ATOM 1127 O ASP A 66 8.760 14.842 -8.529 1.00 0.00 O ATOM 1128 CB ASP A 66 11.642 15.235 -7.925 1.00 0.00 C ATOM 1129 CG ASP A 66 12.085 16.005 -9.162 1.00 0.00 C ATOM 1130 OD1 ASP A 66 11.249 16.304 -9.981 1.00 0.00 O ATOM 1131 OD2 ASP A 66 13.217 16.425 -9.202 1.00 0.00 O ATOM 0 H ASP A 66 10.492 14.158 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 66 10.740 16.890 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.489 15.147 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.365 14.223 -8.222 1.00 0.00 H new ATOM 1136 N ALA A 67 8.690 17.110 -8.305 1.00 0.00 N ATOM 1137 CA ALA A 67 7.447 17.328 -9.067 1.00 0.00 C ATOM 1138 C ALA A 67 7.551 16.852 -10.533 1.00 0.00 C ATOM 1139 O ALA A 67 6.557 16.399 -11.108 1.00 0.00 O ATOM 1140 CB ALA A 67 7.015 18.802 -8.977 1.00 0.00 C ATOM 0 H ALA A 67 9.120 17.974 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 67 6.674 16.712 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.096 18.947 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.843 19.068 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.800 19.437 -9.389 1.00 0.00 H new ATOM 1146 N ALA A 68 8.753 16.934 -11.125 1.00 0.00 N ATOM 1147 CA ALA A 68 9.002 16.473 -12.506 1.00 0.00 C ATOM 1148 C ALA A 68 9.100 14.938 -12.550 1.00 0.00 C ATOM 1149 O ALA A 68 8.420 14.297 -13.353 1.00 0.00 O ATOM 1150 CB ALA A 68 10.282 17.132 -13.052 1.00 0.00 C ATOM 0 H ALA A 68 9.578 17.319 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 68 8.167 16.769 -13.141 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.462 16.789 -14.071 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.163 18.215 -13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.129 16.859 -12.423 1.00 0.00 H new ATOM 1156 N GLU A 69 9.939 14.364 -11.658 1.00 0.00 N ATOM 1157 CA GLU A 69 10.265 12.925 -11.672 1.00 0.00 C ATOM 1158 C GLU A 69 9.077 12.064 -11.248 1.00 0.00 C ATOM 1159 O GLU A 69 8.923 10.953 -11.757 1.00 0.00 O ATOM 1160 CB GLU A 69 11.461 12.637 -10.761 1.00 0.00 C ATOM 1161 CG GLU A 69 12.793 13.149 -11.292 1.00 0.00 C ATOM 1162 CD GLU A 69 13.913 12.855 -10.332 1.00 0.00 C ATOM 1163 OE1 GLU A 69 13.643 12.337 -9.276 1.00 0.00 O ATOM 1164 OE2 GLU A 69 15.049 13.043 -10.700 1.00 0.00 O ATOM 0 H GLU A 69 10.405 14.884 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 69 10.518 12.665 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.276 13.086 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.534 11.560 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.006 12.685 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.730 14.224 -11.463 1.00 0.00 H new ATOM 1171 N GLU A 70 8.232 12.632 -10.365 1.00 0.00 N ATOM 1172 CA GLU A 70 7.129 11.920 -9.664 1.00 0.00 C ATOM 1173 C GLU A 70 6.208 11.095 -10.583 1.00 0.00 C ATOM 1174 O GLU A 70 5.633 10.094 -10.149 1.00 0.00 O ATOM 1175 CB GLU A 70 6.280 12.925 -8.882 1.00 0.00 C ATOM 1176 CG GLU A 70 5.611 13.988 -9.742 1.00 0.00 C ATOM 1177 CD GLU A 70 4.195 13.610 -10.075 1.00 0.00 C ATOM 1178 OE1 GLU A 70 3.719 12.638 -9.540 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.551 14.355 -10.776 1.00 0.00 O ATOM 0 H GLU A 70 8.293 13.618 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 70 7.619 11.206 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.511 12.382 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.911 13.418 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.621 14.943 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.179 14.125 -10.662 1.00 0.00 H new ATOM 1186 N LYS A 71 6.068 11.552 -11.830 1.00 0.00 N ATOM 1187 CA LYS A 71 5.277 10.883 -12.864 1.00 0.00 C ATOM 1188 C LYS A 71 5.888 9.505 -13.213 1.00 0.00 C ATOM 1189 O LYS A 71 5.181 8.500 -13.248 1.00 0.00 O ATOM 1190 CB LYS A 71 5.183 11.759 -14.114 1.00 0.00 C ATOM 1191 CG LYS A 71 4.329 13.008 -13.942 1.00 0.00 C ATOM 1192 CD LYS A 71 4.276 13.822 -15.227 1.00 0.00 C ATOM 1193 CE LYS A 71 3.455 15.091 -15.046 1.00 0.00 C ATOM 1194 NZ LYS A 71 3.420 15.912 -16.285 1.00 0.00 N ATOM 0 H LYS A 71 6.509 12.413 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 71 4.271 10.723 -12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.188 12.059 -14.410 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.775 11.164 -14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.319 12.723 -13.647 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.735 13.621 -13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.288 14.083 -15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.844 13.218 -16.025 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.438 14.827 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.875 15.681 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.851 16.767 -16.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.388 16.186 -16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.996 15.358 -17.057 1.00 0.00 H new ATOM 1208 N LYS A 72 7.217 9.476 -13.434 1.00 0.00 N ATOM 1209 CA LYS A 72 7.958 8.231 -13.737 1.00 0.00 C ATOM 1210 C LYS A 72 8.092 7.371 -12.475 1.00 0.00 C ATOM 1211 O LYS A 72 7.980 6.151 -12.534 1.00 0.00 O ATOM 1212 CB LYS A 72 9.341 8.545 -14.311 1.00 0.00 C ATOM 1213 CG LYS A 72 9.319 9.149 -15.709 1.00 0.00 C ATOM 1214 CD LYS A 72 10.729 9.407 -16.222 1.00 0.00 C ATOM 1215 CE LYS A 72 10.708 10.033 -17.609 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.080 10.309 -18.115 1.00 0.00 N ATOM 0 H LYS A 72 7.806 10.308 -13.408 1.00 0.00 H new ATOM 0 HA LYS A 72 7.395 7.674 -14.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.852 9.234 -13.639 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.928 7.627 -14.334 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.799 8.475 -16.390 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.758 10.083 -15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.254 10.066 -15.531 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.284 8.470 -16.252 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.194 9.366 -18.301 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.138 10.962 -17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.022 10.735 -19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.563 10.966 -17.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.616 9.419 -18.168 1.00 0.00 H new ATOM 1230 N GLU A 73 8.314 8.059 -11.338 1.00 0.00 N ATOM 1231 CA GLU A 73 8.526 7.439 -10.024 1.00 0.00 C ATOM 1232 C GLU A 73 7.252 6.745 -9.514 1.00 0.00 C ATOM 1233 O GLU A 73 7.340 5.723 -8.849 1.00 0.00 O ATOM 1234 CB GLU A 73 8.994 8.486 -9.011 1.00 0.00 C ATOM 1235 CG GLU A 73 10.419 8.978 -9.227 1.00 0.00 C ATOM 1236 CD GLU A 73 11.406 7.848 -9.136 1.00 0.00 C ATOM 1237 OE1 GLU A 73 11.361 7.120 -8.173 1.00 0.00 O ATOM 1238 OE2 GLU A 73 12.130 7.641 -10.081 1.00 0.00 O ATOM 0 H GLU A 73 8.351 9.078 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 73 9.299 6.679 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.318 9.340 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.916 8.064 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.497 9.454 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.661 9.736 -8.482 1.00 0.00 H new ATOM 1245 N ALA A 74 6.072 7.319 -9.860 1.00 0.00 N ATOM 1246 CA ALA A 74 4.758 6.716 -9.568 1.00 0.00 C ATOM 1247 C ALA A 74 4.582 5.364 -10.280 1.00 0.00 C ATOM 1248 O ALA A 74 4.107 4.405 -9.673 1.00 0.00 O ATOM 1249 CB ALA A 74 3.629 7.682 -9.953 1.00 0.00 C ATOM 0 H ALA A 74 6.011 8.212 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 74 4.710 6.529 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.666 7.223 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.730 8.606 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.688 7.905 -11.018 1.00 0.00 H new ATOM 1255 N LYS A 75 4.934 5.318 -11.582 1.00 0.00 N ATOM 1256 CA LYS A 75 4.938 4.061 -12.374 1.00 0.00 C ATOM 1257 C LYS A 75 5.972 3.061 -11.825 1.00 0.00 C ATOM 1258 O LYS A 75 5.736 1.846 -11.804 1.00 0.00 O ATOM 1259 CB LYS A 75 5.226 4.352 -13.847 1.00 0.00 C ATOM 1260 CG LYS A 75 4.106 5.085 -14.574 1.00 0.00 C ATOM 1261 CD LYS A 75 4.469 5.350 -16.028 1.00 0.00 C ATOM 1262 CE LYS A 75 3.363 6.107 -16.747 1.00 0.00 C ATOM 1263 NZ LYS A 75 3.715 6.393 -18.165 1.00 0.00 N ATOM 0 H LYS A 75 5.221 6.140 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 75 3.948 3.614 -12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.137 4.946 -13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.420 3.410 -14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.192 4.493 -14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.900 6.030 -14.071 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.395 5.924 -16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.654 4.404 -16.537 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.443 5.524 -16.712 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.167 7.044 -16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.935 6.910 -18.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.579 6.971 -18.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.877 5.498 -18.670 1.00 0.00 H new ATOM 1277 N LYS A 76 7.125 3.591 -11.404 1.00 0.00 N ATOM 1278 CA LYS A 76 8.211 2.789 -10.830 1.00 0.00 C ATOM 1279 C LYS A 76 7.733 2.147 -9.515 1.00 0.00 C ATOM 1280 O LYS A 76 7.890 0.945 -9.311 1.00 0.00 O ATOM 1281 CB LYS A 76 9.455 3.647 -10.590 1.00 0.00 C ATOM 1282 CG LYS A 76 10.663 2.873 -10.078 1.00 0.00 C ATOM 1283 CD LYS A 76 11.852 3.793 -9.850 1.00 0.00 C ATOM 1284 CE LYS A 76 12.474 4.233 -11.166 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.530 5.263 -10.966 1.00 0.00 N ATOM 0 H LYS A 76 7.332 4.589 -11.452 1.00 0.00 H new ATOM 0 HA LYS A 76 8.482 2.003 -11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.725 4.143 -11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.209 4.430 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.406 2.369 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.932 2.098 -10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.533 4.669 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.600 3.280 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.902 3.368 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.697 4.632 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.020 5.437 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.094 6.147 -10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.214 4.926 -10.259 1.00 0.00 H new ATOM 1299 N PHE A 77 7.103 2.973 -8.652 1.00 0.00 N ATOM 1300 CA PHE A 77 6.564 2.541 -7.348 1.00 0.00 C ATOM 1301 C PHE A 77 5.331 1.647 -7.570 1.00 0.00 C ATOM 1302 O PHE A 77 5.059 0.765 -6.769 1.00 0.00 O ATOM 1303 CB PHE A 77 6.203 3.748 -6.480 1.00 0.00 C ATOM 1304 CG PHE A 77 6.115 3.435 -5.014 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.261 3.369 -4.234 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.889 3.203 -4.411 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.181 3.081 -2.884 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.805 2.915 -3.062 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.954 2.855 -2.299 1.00 0.00 C ATOM 0 H PHE A 77 6.954 3.964 -8.843 1.00 0.00 H new ATOM 0 HA PHE A 77 7.330 1.970 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.949 4.529 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.247 4.151 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.226 3.545 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.987 3.248 -5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.080 3.033 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.842 2.737 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.891 2.631 -1.244 1.00 0.00 H new ATOM 1319 N ALA A 78 4.588 1.913 -8.664 1.00 0.00 N ATOM 1320 CA ALA A 78 3.382 1.157 -9.032 1.00 0.00 C ATOM 1321 C ALA A 78 3.723 -0.331 -9.161 1.00 0.00 C ATOM 1322 O ALA A 78 2.970 -1.191 -8.690 1.00 0.00 O ATOM 1323 CB ALA A 78 2.783 1.703 -10.339 1.00 0.00 C ATOM 0 H ALA A 78 4.812 2.663 -9.318 1.00 0.00 H new ATOM 0 HA ALA A 78 2.633 1.274 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.891 1.132 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.517 2.752 -10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.516 1.613 -11.141 1.00 0.00 H new ATOM 1329 N ALA A 79 4.885 -0.610 -9.792 1.00 0.00 N ATOM 1330 CA ALA A 79 5.428 -1.967 -9.926 1.00 0.00 C ATOM 1331 C ALA A 79 5.708 -2.569 -8.539 1.00 0.00 C ATOM 1332 O ALA A 79 5.424 -3.743 -8.300 1.00 0.00 O ATOM 1333 CB ALA A 79 6.704 -1.947 -10.785 1.00 0.00 C ATOM 0 H ALA A 79 5.470 0.107 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 79 4.690 -2.595 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.097 -2.960 -10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.470 -1.558 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.451 -1.310 -10.312 1.00 0.00 H new ATOM 1339 N ILE A 80 6.230 -1.718 -7.632 1.00 0.00 N ATOM 1340 CA ILE A 80 6.623 -2.100 -6.262 1.00 0.00 C ATOM 1341 C ILE A 80 5.411 -2.580 -5.449 1.00 0.00 C ATOM 1342 O ILE A 80 5.443 -3.675 -4.882 1.00 0.00 O ATOM 1343 CB ILE A 80 7.295 -0.932 -5.518 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.602 -0.540 -6.210 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.549 -1.303 -4.065 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.609 -1.663 -6.296 1.00 0.00 C ATOM 0 H ILE A 80 6.392 -0.732 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 80 7.339 -2.916 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 80 6.623 -0.074 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.377 -0.188 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.050 0.296 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.025 -0.466 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.602 -1.535 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.203 -2.174 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.508 -1.308 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.864 -2.000 -5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.182 -2.492 -6.860 1.00 0.00 H new ATOM 1358 N LEU A 81 4.339 -1.772 -5.456 1.00 0.00 N ATOM 1359 CA LEU A 81 3.094 -2.057 -4.728 1.00 0.00 C ATOM 1360 C LEU A 81 2.406 -3.287 -5.327 1.00 0.00 C ATOM 1361 O LEU A 81 1.993 -4.179 -4.591 1.00 0.00 O ATOM 1362 CB LEU A 81 2.157 -0.842 -4.766 1.00 0.00 C ATOM 1363 CG LEU A 81 2.492 0.272 -3.766 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.656 1.509 -4.064 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.239 -0.222 -2.349 1.00 0.00 C ATOM 0 H LEU A 81 4.313 -0.893 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 81 3.337 -2.265 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.173 -0.422 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.139 -1.183 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 81 3.544 0.541 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.901 2.294 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.870 1.858 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.598 1.261 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.477 0.570 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.191 -0.501 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.867 -1.090 -2.149 1.00 0.00 H new ATOM 1377 N ASN A 82 2.358 -3.338 -6.677 1.00 0.00 N ATOM 1378 CA ASN A 82 1.668 -4.411 -7.433 1.00 0.00 C ATOM 1379 C ASN A 82 2.327 -5.778 -7.124 1.00 0.00 C ATOM 1380 O ASN A 82 1.626 -6.784 -6.960 1.00 0.00 O ATOM 1381 CB ASN A 82 1.672 -4.142 -8.926 1.00 0.00 C ATOM 1382 CG ASN A 82 0.776 -3.006 -9.340 1.00 0.00 C ATOM 1383 OD1 ASN A 82 -0.081 -2.554 -8.572 1.00 0.00 O ATOM 1384 ND2 ASN A 82 0.916 -2.598 -10.575 1.00 0.00 N ATOM 0 H ASN A 82 2.796 -2.637 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 82 0.626 -4.432 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.691 -3.923 -9.244 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.362 -5.046 -9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.301 -1.873 -10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.640 -3.004 -11.167 1.00 0.00 H new ATOM 1391 N LYS A 83 3.676 -5.786 -7.023 1.00 0.00 N ATOM 1392 CA LYS A 83 4.448 -7.001 -6.694 1.00 0.00 C ATOM 1393 C LYS A 83 4.193 -7.443 -5.245 1.00 0.00 C ATOM 1394 O LYS A 83 4.029 -8.630 -4.988 1.00 0.00 O ATOM 1395 CB LYS A 83 5.943 -6.765 -6.916 1.00 0.00 C ATOM 1396 CG LYS A 83 6.362 -6.719 -8.379 1.00 0.00 C ATOM 1397 CD LYS A 83 7.847 -6.412 -8.520 1.00 0.00 C ATOM 1398 CE LYS A 83 8.257 -6.322 -9.982 1.00 0.00 C ATOM 1399 NZ LYS A 83 9.708 -6.029 -10.136 1.00 0.00 N ATOM 0 H LYS A 83 4.253 -4.957 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 83 4.115 -7.798 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.225 -5.826 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.502 -7.556 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.139 -7.675 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.780 -5.960 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.075 -5.472 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.430 -7.188 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.021 -7.261 -10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.675 -5.543 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.946 -5.976 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.929 -5.121 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.264 -6.785 -9.689 1.00 0.00 H new ATOM 1413 N VAL A 84 4.125 -6.468 -4.324 1.00 0.00 N ATOM 1414 CA VAL A 84 3.889 -6.720 -2.886 1.00 0.00 C ATOM 1415 C VAL A 84 2.495 -7.323 -2.657 1.00 0.00 C ATOM 1416 O VAL A 84 2.337 -8.272 -1.877 1.00 0.00 O ATOM 1417 CB VAL A 84 4.021 -5.433 -2.052 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.492 -5.653 -0.643 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.471 -4.972 -2.009 1.00 0.00 C ATOM 0 H VAL A 84 4.232 -5.480 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 84 4.652 -7.427 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 84 3.424 -4.654 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.594 -4.732 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.441 -5.938 -0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.062 -6.447 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.546 -4.061 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.087 -5.750 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.820 -4.774 -3.022 1.00 0.00 H new ATOM 1429 N PHE A 85 1.498 -6.750 -3.354 1.00 0.00 N ATOM 1430 CA PHE A 85 0.108 -7.210 -3.286 1.00 0.00 C ATOM 1431 C PHE A 85 0.007 -8.649 -3.825 1.00 0.00 C ATOM 1432 O PHE A 85 -0.632 -9.497 -3.207 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.812 -6.276 -4.075 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.280 -5.082 -3.291 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -2.056 -5.242 -2.154 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.943 -3.797 -3.690 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.489 -4.147 -1.432 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.373 -2.699 -2.969 1.00 0.00 C ATOM 1439 CZ PHE A 85 -2.146 -2.873 -1.840 1.00 0.00 C ATOM 0 H PHE A 85 1.638 -5.956 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.213 -7.198 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.287 -5.931 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.681 -6.839 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.326 -6.236 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.338 -3.653 -4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.095 -4.287 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.103 -1.704 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.482 -2.015 -1.277 1.00 0.00 H new ATOM 1449 N ALA A 86 0.731 -8.921 -4.930 1.00 0.00 N ATOM 1450 CA ALA A 86 0.819 -10.265 -5.540 1.00 0.00 C ATOM 1451 C ALA A 86 1.537 -11.269 -4.611 1.00 0.00 C ATOM 1452 O ALA A 86 1.211 -12.464 -4.603 1.00 0.00 O ATOM 1453 CB ALA A 86 1.538 -10.180 -6.892 1.00 0.00 C ATOM 0 H ALA A 86 1.273 -8.213 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.196 -10.630 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.599 -11.174 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.983 -9.519 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.544 -9.786 -6.745 1.00 0.00 H new ATOM 1459 N GLU A 87 2.503 -10.752 -3.821 1.00 0.00 N ATOM 1460 CA GLU A 87 3.269 -11.547 -2.840 1.00 0.00 C ATOM 1461 C GLU A 87 2.435 -11.837 -1.579 1.00 0.00 C ATOM 1462 O GLU A 87 2.733 -12.779 -0.839 1.00 0.00 O ATOM 1463 CB GLU A 87 4.563 -10.823 -2.458 1.00 0.00 C ATOM 1464 CG GLU A 87 5.640 -10.852 -3.531 1.00 0.00 C ATOM 1465 CD GLU A 87 6.114 -12.255 -3.793 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.539 -12.900 -2.866 1.00 0.00 O ATOM 1467 OE2 GLU A 87 5.946 -12.722 -4.894 1.00 0.00 O ATOM 0 H GLU A 87 2.773 -9.769 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 87 3.518 -12.499 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.328 -9.785 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.961 -11.272 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.250 -10.420 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.482 -10.234 -3.221 1.00 0.00 H new ATOM 1474 N LEU A 88 1.396 -11.017 -1.332 1.00 0.00 N ATOM 1475 CA LEU A 88 0.568 -11.091 -0.104 1.00 0.00 C ATOM 1476 C LEU A 88 -0.759 -11.842 -0.372 1.00 0.00 C ATOM 1477 O LEU A 88 -1.519 -12.112 0.559 1.00 0.00 O ATOM 1478 CB LEU A 88 0.285 -9.681 0.432 1.00 0.00 C ATOM 1479 CG LEU A 88 1.505 -8.938 0.990 1.00 0.00 C ATOM 1480 CD1 LEU A 88 1.116 -7.520 1.388 1.00 0.00 C ATOM 1481 CD2 LEU A 88 2.062 -9.698 2.184 1.00 0.00 C ATOM 0 H LEU A 88 1.103 -10.282 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 88 1.126 -11.649 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.148 -9.084 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.468 -9.752 1.217 1.00 0.00 H new ATOM 0 HG LEU A 88 2.276 -8.878 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.989 -7.001 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.741 -6.987 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.339 -7.557 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.929 -9.169 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.297 -9.771 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.359 -10.699 1.872 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.019 -12.178 -1.654 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.176 -13.002 -2.039 1.00 0.00 C ATOM 1495 C GLY A 89 -3.349 -12.215 -2.612 1.00 0.00 C ATOM 1496 O GLY A 89 -4.487 -12.695 -2.611 1.00 0.00 O ATOM 0 H GLY A 89 -0.438 -11.888 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.853 -13.737 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.519 -13.556 -1.165 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.064 -10.998 -3.090 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.044 -10.113 -3.755 1.00 0.00 C ATOM 1502 C TYR A 90 -3.847 -10.250 -5.275 1.00 0.00 C ATOM 1503 O TYR A 90 -2.725 -10.452 -5.742 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.873 -8.657 -3.312 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.224 -8.413 -1.862 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.540 -8.204 -1.473 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.240 -8.388 -0.884 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.866 -7.980 -0.151 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.555 -8.166 0.443 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.870 -7.961 0.806 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.191 -7.738 2.125 1.00 0.00 O ATOM 0 H TYR A 90 -2.132 -10.588 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.056 -10.408 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.839 -8.355 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.498 -8.021 -3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.322 -8.217 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.209 -8.545 -1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.895 -7.820 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.776 -8.153 1.191 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.375 -7.758 2.668 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.933 -10.134 -6.047 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.885 -10.198 -7.530 1.00 0.00 C ATOM 1523 C ASN A 91 -4.665 -8.805 -8.144 1.00 0.00 C ATOM 1524 O ASN A 91 -4.659 -7.796 -7.438 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.141 -10.824 -8.104 1.00 0.00 C ATOM 1526 CG ASN A 91 -7.362 -9.955 -7.982 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -7.267 -8.753 -7.708 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -8.510 -10.571 -8.102 1.00 0.00 N ATOM 0 H ASN A 91 -5.871 -9.993 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.037 -10.831 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.973 -11.053 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.328 -11.771 -7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.381 -10.057 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.534 -11.565 -8.330 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.510 -8.780 -9.477 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.356 -7.543 -10.276 1.00 0.00 C ATOM 1537 C ASP A 92 -5.721 -6.927 -10.638 1.00 0.00 C ATOM 1538 O ASP A 92 -5.856 -5.701 -10.712 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.558 -7.826 -11.552 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.079 -8.105 -11.321 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.605 -7.831 -10.243 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.473 -8.727 -12.160 1.00 0.00 O ATOM 0 H ASP A 92 -4.487 -9.628 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.812 -6.824 -9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.001 -8.682 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.654 -6.972 -12.223 1.00 0.00 H new ATOM 1547 N SER A 93 -6.711 -7.809 -10.867 1.00 0.00 N ATOM 1548 CA SER A 93 -8.070 -7.430 -11.301 1.00 0.00 C ATOM 1549 C SER A 93 -8.734 -6.394 -10.360 1.00 0.00 C ATOM 1550 O SER A 93 -9.375 -5.443 -10.834 1.00 0.00 O ATOM 1551 CB SER A 93 -8.936 -8.671 -11.403 1.00 0.00 C ATOM 1552 OG SER A 93 -8.504 -9.533 -12.419 1.00 0.00 O ATOM 0 H SER A 93 -6.590 -8.816 -10.755 1.00 0.00 H new ATOM 0 HA SER A 93 -7.978 -6.955 -12.277 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.924 -9.200 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.969 -8.377 -11.592 1.00 0.00 H new ATOM 0 HG SER A 93 -9.087 -10.320 -12.450 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.573 -6.577 -9.028 1.00 0.00 N ATOM 1559 CA ASN A 94 -9.185 -5.674 -8.017 1.00 0.00 C ATOM 1560 C ASN A 94 -8.218 -4.541 -7.592 1.00 0.00 C ATOM 1561 O ASN A 94 -8.388 -3.944 -6.525 1.00 0.00 O ATOM 1562 CB ASN A 94 -9.647 -6.447 -6.796 1.00 0.00 C ATOM 1563 CG ASN A 94 -10.850 -7.314 -7.047 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -11.635 -7.069 -7.971 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -11.042 -8.277 -6.183 1.00 0.00 N ATOM 0 H ASN A 94 -8.026 -7.339 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.053 -5.217 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.827 -7.072 -6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.879 -5.742 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.871 -8.868 -6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.363 -8.437 -5.439 1.00 0.00 H new ATOM 1572 N VAL A 95 -7.189 -4.279 -8.418 1.00 0.00 N ATOM 1573 CA VAL A 95 -6.249 -3.159 -8.226 1.00 0.00 C ATOM 1574 C VAL A 95 -6.571 -2.088 -9.278 1.00 0.00 C ATOM 1575 O VAL A 95 -6.517 -2.365 -10.478 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.778 -3.596 -8.357 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.851 -2.401 -8.190 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -4.447 -4.671 -7.334 1.00 0.00 C ATOM 0 H VAL A 95 -6.985 -4.842 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.370 -2.771 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.631 -4.012 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.815 -2.728 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.070 -1.660 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.002 -1.958 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.404 -4.967 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.611 -4.281 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.089 -5.537 -7.496 1.00 0.00 H new ATOM 1588 N THR A 96 -6.942 -0.882 -8.823 1.00 0.00 N ATOM 1589 CA THR A 96 -7.248 0.257 -9.709 1.00 0.00 C ATOM 1590 C THR A 96 -6.266 1.405 -9.432 1.00 0.00 C ATOM 1591 O THR A 96 -6.274 1.977 -8.343 1.00 0.00 O ATOM 1592 CB THR A 96 -8.690 0.763 -9.525 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.612 -0.292 -9.830 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.961 1.948 -10.439 1.00 0.00 C ATOM 0 H THR A 96 -7.039 -0.666 -7.831 1.00 0.00 H new ATOM 0 HA THR A 96 -7.145 -0.090 -10.737 1.00 0.00 H new ATOM 0 HB THR A 96 -8.818 1.079 -8.490 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.530 0.031 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.985 2.292 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.270 2.757 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.822 1.646 -11.477 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.425 1.732 -10.426 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.475 2.860 -10.353 1.00 0.00 C ATOM 1604 C TRP A 97 -5.076 4.153 -10.929 1.00 0.00 C ATOM 1605 O TRP A 97 -5.679 4.164 -12.008 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.137 2.509 -11.053 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.169 1.797 -10.144 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.980 0.451 -10.028 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.281 2.413 -9.195 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -1.023 0.196 -9.082 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.577 1.384 -8.559 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -1.009 3.737 -8.835 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.374 1.630 -7.574 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.062 3.983 -7.857 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.622 2.932 -7.234 1.00 0.00 C ATOM 0 H TRP A 97 -5.383 1.221 -11.308 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.269 3.040 -9.298 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.340 1.882 -11.921 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.675 3.425 -11.422 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.506 -0.301 -10.597 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.694 -0.730 -8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.530 4.554 -9.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 0.900 0.819 -7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.153 5.002 -7.570 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.357 3.152 -6.474 1.00 0.00 H new ATOM 1626 N ASP A 98 -4.890 5.224 -10.158 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.260 6.601 -10.486 1.00 0.00 C ATOM 1628 C ASP A 98 -4.116 7.495 -9.981 1.00 0.00 C ATOM 1629 O ASP A 98 -4.066 7.874 -8.800 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.597 6.993 -9.852 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.089 8.383 -10.232 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.387 9.068 -10.936 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.223 8.688 -9.949 1.00 0.00 O ATOM 0 H ASP A 98 -4.454 5.151 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.398 6.716 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.351 6.262 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.501 6.939 -8.768 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.135 7.722 -10.870 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.006 8.604 -10.597 1.00 0.00 C ATOM 1640 C GLY A 99 -1.111 8.068 -9.475 1.00 0.00 C ATOM 1641 O GLY A 99 -0.560 6.964 -9.594 1.00 0.00 O ATOM 0 H GLY A 99 -3.109 7.295 -11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.415 8.726 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.377 9.592 -10.323 1.00 0.00 H new ATOM 1645 N ASP A 100 -0.988 8.850 -8.380 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.120 8.514 -7.215 1.00 0.00 C ATOM 1647 C ASP A 100 -0.899 7.693 -6.167 1.00 0.00 C ATOM 1648 O ASP A 100 -0.359 7.356 -5.108 1.00 0.00 O ATOM 1649 CB ASP A 100 0.441 9.784 -6.572 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.610 10.683 -5.933 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -1.769 10.348 -5.999 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.236 11.609 -5.253 1.00 0.00 O ATOM 0 H ASP A 100 -1.485 9.734 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 100 0.711 7.911 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.170 9.501 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.977 10.354 -7.331 1.00 0.00 H new ATOM 1657 N THR A 101 -2.157 7.355 -6.482 1.00 0.00 N ATOM 1658 CA THR A 101 -3.086 6.700 -5.545 1.00 0.00 C ATOM 1659 C THR A 101 -3.641 5.414 -6.170 1.00 0.00 C ATOM 1660 O THR A 101 -4.123 5.448 -7.294 1.00 0.00 O ATOM 1661 CB THR A 101 -4.256 7.622 -5.155 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.745 8.822 -4.562 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.179 6.926 -4.167 1.00 0.00 C ATOM 0 H THR A 101 -2.564 7.529 -7.401 1.00 0.00 H new ATOM 0 HA THR A 101 -2.524 6.466 -4.641 1.00 0.00 H new ATOM 0 HB THR A 101 -4.822 7.865 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.133 9.262 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.000 7.593 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.580 6.019 -4.620 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.620 6.666 -3.268 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.589 4.291 -5.442 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.129 3.015 -5.929 1.00 0.00 C ATOM 1673 C VAL A 102 -5.201 2.539 -4.925 1.00 0.00 C ATOM 1674 O VAL A 102 -5.032 2.656 -3.703 1.00 0.00 O ATOM 1675 CB VAL A 102 -3.036 1.940 -6.085 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.388 1.640 -4.741 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.620 0.671 -6.688 1.00 0.00 C ATOM 0 H VAL A 102 -3.177 4.241 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.559 3.169 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.270 2.323 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.619 0.879 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.936 2.549 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.145 1.277 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.835 -0.078 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.405 0.286 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.040 0.894 -7.669 1.00 0.00 H new ATOM 1687 N THR A 103 -6.344 2.084 -5.444 1.00 0.00 N ATOM 1688 CA THR A 103 -7.408 1.499 -4.633 1.00 0.00 C ATOM 1689 C THR A 103 -7.482 -0.007 -4.945 1.00 0.00 C ATOM 1690 O THR A 103 -7.626 -0.410 -6.102 1.00 0.00 O ATOM 1691 CB THR A 103 -8.772 2.161 -4.902 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.710 3.549 -4.549 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.863 1.483 -4.087 1.00 0.00 C ATOM 0 H THR A 103 -6.556 2.112 -6.441 1.00 0.00 H new ATOM 0 HA THR A 103 -7.177 1.665 -3.581 1.00 0.00 H new ATOM 0 HB THR A 103 -9.007 2.058 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.645 3.636 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.820 1.964 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.921 0.430 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.631 1.569 -3.025 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.305 -0.813 -3.897 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.154 -2.268 -3.978 1.00 0.00 C ATOM 1703 C VAL A 104 -8.210 -2.917 -3.077 1.00 0.00 C ATOM 1704 O VAL A 104 -8.337 -2.555 -1.903 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.749 -2.735 -3.552 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.657 -4.252 -3.594 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.688 -2.113 -4.447 1.00 0.00 C ATOM 0 H VAL A 104 -7.261 -0.462 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.289 -2.569 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.572 -2.407 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.658 -4.564 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.394 -4.680 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.853 -4.600 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.701 -2.453 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.863 -2.412 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.739 -1.027 -4.370 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.987 -3.851 -3.641 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.981 -4.628 -2.884 1.00 0.00 C ATOM 1719 C GLU A 105 -9.575 -6.094 -2.870 1.00 0.00 C ATOM 1720 O GLU A 105 -8.996 -6.602 -3.843 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.380 -4.470 -3.481 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.881 -3.033 -3.538 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.280 -2.964 -4.082 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.537 -3.579 -5.089 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.122 -2.389 -3.432 1.00 0.00 O ATOM 0 H GLU A 105 -8.946 -4.090 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.013 -4.249 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.380 -4.882 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.081 -5.063 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.855 -2.597 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.215 -2.438 -4.163 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.879 -6.769 -1.762 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.630 -8.191 -1.638 1.00 0.00 C ATOM 1734 C GLY A 106 -10.271 -8.775 -0.405 1.00 0.00 C ATOM 1735 O GLY A 106 -10.834 -8.034 0.413 1.00 0.00 O ATOM 0 H GLY A 106 -10.301 -6.344 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.011 -8.703 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.555 -8.369 -1.606 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.238 -10.114 -0.298 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.782 -10.816 0.859 1.00 0.00 C ATOM 1741 C GLN A 107 -9.717 -10.858 1.965 1.00 0.00 C ATOM 1742 O GLN A 107 -8.533 -11.087 1.690 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.219 -12.234 0.483 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.645 -13.088 1.665 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.157 -14.451 1.240 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.759 -14.598 0.172 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -11.923 -15.457 2.075 1.00 0.00 N ATOM 0 H GLN A 107 -9.836 -10.728 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.662 -10.283 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.047 -12.172 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.397 -12.731 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.799 -13.215 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.424 -12.568 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.421 -15.290 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.245 -16.397 1.844 1.00 0.00 H new ATOM 1756 N LEU A 108 -10.139 -10.562 3.198 1.00 0.00 N ATOM 1757 CA LEU A 108 -9.317 -10.758 4.382 1.00 0.00 C ATOM 1758 C LEU A 108 -9.857 -11.992 5.119 1.00 0.00 C ATOM 1759 O LEU A 108 -11.052 -12.035 5.450 1.00 0.00 O ATOM 1760 CB LEU A 108 -9.337 -9.512 5.278 1.00 0.00 C ATOM 1761 CG LEU A 108 -8.435 -9.585 6.517 1.00 0.00 C ATOM 1762 CD1 LEU A 108 -6.971 -9.531 6.099 1.00 0.00 C ATOM 1763 CD2 LEU A 108 -8.770 -8.438 7.458 1.00 0.00 C ATOM 0 H LEU A 108 -11.063 -10.179 3.397 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.276 -10.918 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.039 -8.650 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.362 -9.335 5.604 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.607 -10.527 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.338 -9.583 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.749 -10.373 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.778 -8.598 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.129 -8.490 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.608 -7.489 6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.813 -8.512 7.764 1.00 0.00 H new ATOM 1775 N GLU A 109 -8.948 -12.984 5.320 1.00 0.00 N ATOM 1776 CA GLU A 109 -9.214 -14.323 5.920 1.00 0.00 C ATOM 1777 C GLU A 109 -10.452 -15.055 5.322 1.00 0.00 C ATOM 1778 O GLU A 109 -10.313 -16.040 4.586 1.00 0.00 O ATOM 1779 CB GLU A 109 -9.391 -14.182 7.434 1.00 0.00 C ATOM 1780 CG GLU A 109 -8.119 -13.812 8.184 1.00 0.00 C ATOM 1781 CD GLU A 109 -7.165 -14.973 8.246 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -7.544 -16.051 7.857 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -6.022 -14.759 8.576 1.00 0.00 O ATOM 0 H GLU A 109 -7.969 -12.869 5.058 1.00 0.00 H new ATOM 0 HA GLU A 109 -8.347 -14.939 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.148 -13.422 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.773 -15.122 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.636 -12.968 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.370 -13.491 9.195 1.00 0.00 H new ATOM 1790 N GLY A 110 -11.648 -14.530 5.639 1.00 0.00 N ATOM 1791 CA GLY A 110 -12.932 -15.136 5.301 1.00 0.00 C ATOM 1792 C GLY A 110 -13.853 -15.113 6.503 1.00 0.00 C ATOM 1793 O GLY A 110 -14.928 -15.711 6.477 1.00 0.00 O ATOM 0 H GLY A 110 -11.743 -13.652 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.390 -14.596 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.782 -16.163 4.968 1.00 0.00 H new ATOM 1797 N VAL A 111 -13.387 -14.430 7.572 1.00 0.00 N ATOM 1798 CA VAL A 111 -14.215 -14.057 8.742 1.00 0.00 C ATOM 1799 C VAL A 111 -15.097 -12.814 8.455 1.00 0.00 C ATOM 1800 O VAL A 111 -14.648 -11.799 7.917 1.00 0.00 O ATOM 1801 CB VAL A 111 -13.339 -13.775 9.978 1.00 0.00 C ATOM 1802 CG1 VAL A 111 -14.201 -13.338 11.153 1.00 0.00 C ATOM 1803 CG2 VAL A 111 -12.523 -15.005 10.346 1.00 0.00 C ATOM 0 H VAL A 111 -12.418 -14.119 7.648 1.00 0.00 H new ATOM 0 HA VAL A 111 -14.865 -14.909 8.943 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.651 -12.966 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.566 -13.143 12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.743 -12.430 10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.912 -14.127 11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.911 -14.787 11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.195 -15.833 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.878 -15.277 9.510 1.00 0.00 H new ATOM 1813 N ASP A 112 -16.382 -12.960 8.795 1.00 0.00 N ATOM 1814 CA ASP A 112 -17.428 -11.958 8.566 1.00 0.00 C ATOM 1815 C ASP A 112 -18.315 -11.908 9.815 1.00 0.00 C ATOM 1816 O ASP A 112 -19.169 -12.781 10.024 1.00 0.00 O ATOM 1817 CB ASP A 112 -18.255 -12.286 7.320 1.00 0.00 C ATOM 1818 CG ASP A 112 -19.326 -11.257 6.986 1.00 0.00 C ATOM 1819 OD1 ASP A 112 -19.481 -10.325 7.739 1.00 0.00 O ATOM 1820 OD2 ASP A 112 -19.870 -11.324 5.910 1.00 0.00 O ATOM 0 H ASP A 112 -16.733 -13.803 9.250 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.971 -10.984 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.582 -12.382 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.732 -13.256 7.461 1.00 0.00 H new ATOM 1825 N LEU A 113 -18.040 -10.922 10.682 1.00 0.00 N ATOM 1826 CA LEU A 113 -18.767 -10.701 11.933 1.00 0.00 C ATOM 1827 C LEU A 113 -19.991 -9.799 11.674 1.00 0.00 C ATOM 1828 O LEU A 113 -19.910 -8.569 11.790 1.00 0.00 O ATOM 1829 CB LEU A 113 -17.842 -10.079 12.987 1.00 0.00 C ATOM 1830 CG LEU A 113 -16.625 -10.929 13.372 1.00 0.00 C ATOM 1831 CD1 LEU A 113 -15.770 -10.187 14.390 1.00 0.00 C ATOM 1832 CD2 LEU A 113 -17.094 -12.263 13.933 1.00 0.00 C ATOM 0 H LEU A 113 -17.292 -10.246 10.527 1.00 0.00 H new ATOM 0 HA LEU A 113 -19.117 -11.660 12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.490 -9.117 12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -18.425 -9.880 13.886 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.017 -11.114 12.487 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.908 -10.799 14.657 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.427 -9.246 13.960 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.361 -9.984 15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.229 -12.867 14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.710 -12.090 14.816 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.680 -12.789 13.179 1.00 0.00 H new ATOM 1844 N GLU A 114 -21.107 -10.442 11.290 1.00 0.00 N ATOM 1845 CA GLU A 114 -22.377 -9.766 10.957 1.00 0.00 C ATOM 1846 C GLU A 114 -23.149 -9.305 12.224 1.00 0.00 C ATOM 1847 O GLU A 114 -23.777 -8.241 12.217 1.00 0.00 O ATOM 1848 CB GLU A 114 -23.257 -10.691 10.115 1.00 0.00 C ATOM 1849 CG GLU A 114 -22.726 -10.964 8.716 1.00 0.00 C ATOM 1850 CD GLU A 114 -23.602 -11.937 7.978 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -24.544 -12.418 8.560 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -23.398 -12.116 6.800 1.00 0.00 O ATOM 0 H GLU A 114 -21.155 -11.457 11.200 1.00 0.00 H new ATOM 0 HA GLU A 114 -22.129 -8.872 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -23.370 -11.640 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -24.251 -10.251 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.667 -10.029 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.713 -11.361 8.781 1.00 0.00 H new ATOM 1859 N HIS A 115 -23.101 -10.105 13.305 1.00 0.00 N ATOM 1860 CA HIS A 115 -23.858 -9.833 14.554 1.00 0.00 C ATOM 1861 C HIS A 115 -22.910 -9.895 15.762 1.00 0.00 C ATOM 1862 O HIS A 115 -23.059 -9.126 16.718 1.00 0.00 O ATOM 1863 CB HIS A 115 -25.008 -10.829 14.734 1.00 0.00 C ATOM 1864 CG HIS A 115 -26.003 -10.808 13.616 1.00 0.00 C ATOM 1865 ND1 HIS A 115 -26.879 -9.761 13.420 1.00 0.00 N ATOM 1866 CD2 HIS A 115 -26.262 -11.705 12.635 1.00 0.00 C ATOM 1867 CE1 HIS A 115 -27.634 -10.015 12.365 1.00 0.00 C ATOM 1868 NE2 HIS A 115 -27.280 -11.188 11.872 1.00 0.00 N ATOM 0 H HIS A 115 -22.541 -10.956 13.344 1.00 0.00 H new ATOM 0 HA HIS A 115 -24.288 -8.834 14.482 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -24.596 -11.834 14.823 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -25.522 -10.611 15.670 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -25.762 -12.650 12.482 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -28.409 -9.373 11.973 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -27.696 -11.637 11.056 1.00 0.00 H new ATOM 1876 N HIS A 116 -21.927 -10.807 15.698 1.00 0.00 N ATOM 1877 CA HIS A 116 -20.909 -10.982 16.750 1.00 0.00 C ATOM 1878 C HIS A 116 -19.740 -9.995 16.525 1.00 0.00 C ATOM 1879 O HIS A 116 -18.603 -10.419 16.303 1.00 0.00 O ATOM 1880 CB HIS A 116 -20.390 -12.424 16.776 1.00 0.00 C ATOM 1881 CG HIS A 116 -21.453 -13.440 17.057 1.00 0.00 C ATOM 1882 ND1 HIS A 116 -22.075 -13.546 18.283 1.00 0.00 N ATOM 1883 CD2 HIS A 116 -22.003 -14.396 16.272 1.00 0.00 C ATOM 1884 CE1 HIS A 116 -22.963 -14.524 18.240 1.00 0.00 C ATOM 1885 NE2 HIS A 116 -22.939 -15.054 17.031 1.00 0.00 N ATOM 0 H HIS A 116 -21.814 -11.447 14.912 1.00 0.00 H new ATOM 0 HA HIS A 116 -21.372 -10.772 17.714 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -19.927 -12.652 15.816 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -19.611 -12.507 17.534 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.753 -14.602 15.242 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -23.600 -14.836 19.055 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -23.522 -15.828 16.712 1.00 0.00 H new ATOM 1893 N HIS A 117 -20.040 -8.680 16.666 1.00 0.00 N ATOM 1894 CA HIS A 117 -19.109 -7.564 16.356 1.00 0.00 C ATOM 1895 C HIS A 117 -18.003 -7.389 17.424 1.00 0.00 C ATOM 1896 O HIS A 117 -18.262 -7.509 18.628 1.00 0.00 O ATOM 1897 CB HIS A 117 -19.885 -6.253 16.204 1.00 0.00 C ATOM 1898 CG HIS A 117 -20.773 -6.215 15.000 1.00 0.00 C ATOM 1899 ND1 HIS A 117 -20.316 -5.857 13.750 1.00 0.00 N ATOM 1900 CD2 HIS A 117 -22.091 -6.490 14.854 1.00 0.00 C ATOM 1901 CE1 HIS A 117 -21.315 -5.914 12.886 1.00 0.00 C ATOM 1902 NE2 HIS A 117 -22.402 -6.295 13.531 1.00 0.00 N ATOM 0 H HIS A 117 -20.948 -8.359 17.003 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.618 -7.820 15.417 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -20.491 -6.094 17.096 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.177 -5.426 16.148 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -22.770 -6.804 15.633 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.252 -5.687 11.832 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.324 -6.424 13.114 1.00 0.00 H new ATOM 1910 N HIS A 118 -16.779 -7.104 16.956 1.00 0.00 N ATOM 1911 CA HIS A 118 -15.610 -6.896 17.823 1.00 0.00 C ATOM 1912 C HIS A 118 -15.809 -5.643 18.704 1.00 0.00 C ATOM 1913 O HIS A 118 -16.281 -4.600 18.232 1.00 0.00 O ATOM 1914 CB HIS A 118 -14.332 -6.761 16.989 1.00 0.00 C ATOM 1915 CG HIS A 118 -13.091 -6.608 17.811 1.00 0.00 C ATOM 1916 ND1 HIS A 118 -12.597 -7.621 18.609 1.00 0.00 N ATOM 1917 CD2 HIS A 118 -12.244 -5.563 17.962 1.00 0.00 C ATOM 1918 CE1 HIS A 118 -11.498 -7.203 19.213 1.00 0.00 C ATOM 1919 NE2 HIS A 118 -11.262 -5.959 18.839 1.00 0.00 N ATOM 0 H HIS A 118 -16.571 -7.011 15.962 1.00 0.00 H new ATOM 0 HA HIS A 118 -15.507 -7.767 18.471 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -14.230 -7.640 16.352 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.429 -5.899 16.329 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.325 -4.598 17.483 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -10.895 -7.782 19.897 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -10.478 -5.385 19.150 1.00 0.00 H new ATOM 1927 N HIS A 119 -15.473 -5.786 19.995 1.00 0.00 N ATOM 1928 CA HIS A 119 -15.590 -4.711 21.002 1.00 0.00 C ATOM 1929 C HIS A 119 -14.598 -3.570 20.694 1.00 0.00 C ATOM 1930 O HIS A 119 -13.686 -3.733 19.869 1.00 0.00 O ATOM 1931 CB HIS A 119 -15.344 -5.256 22.412 1.00 0.00 C ATOM 1932 CG HIS A 119 -13.938 -5.711 22.646 1.00 0.00 C ATOM 1933 ND1 HIS A 119 -12.914 -4.836 22.947 1.00 0.00 N ATOM 1934 CD2 HIS A 119 -13.384 -6.946 22.621 1.00 0.00 C ATOM 1935 CE1 HIS A 119 -11.790 -5.517 23.099 1.00 0.00 C ATOM 1936 NE2 HIS A 119 -12.048 -6.796 22.907 1.00 0.00 N ATOM 0 H HIS A 119 -15.108 -6.659 20.377 1.00 0.00 H new ATOM 0 HA HIS A 119 -16.605 -4.316 20.957 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -15.592 -4.482 23.139 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -16.021 -6.091 22.592 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -13.009 -3.824 23.038 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.896 -7.875 22.415 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -10.825 -5.097 23.340 1.00 0.00 H new ATOM 1944 N HIS A 120 -14.795 -2.418 21.358 1.00 0.00 N ATOM 1945 CA HIS A 120 -13.932 -1.233 21.181 1.00 0.00 C ATOM 1946 C HIS A 120 -12.488 -1.533 21.665 1.00 0.00 C ATOM 1947 O HIS A 120 -11.557 -1.581 20.826 1.00 0.00 O ATOM 1948 CB HIS A 120 -14.504 -0.027 21.934 1.00 0.00 C ATOM 1949 CG HIS A 120 -13.840 1.269 21.588 1.00 0.00 C ATOM 1950 ND1 HIS A 120 -12.610 1.633 22.097 1.00 0.00 N ATOM 1951 CD2 HIS A 120 -14.232 2.287 20.786 1.00 0.00 C ATOM 1952 CE1 HIS A 120 -12.275 2.820 21.622 1.00 0.00 C ATOM 1953 NE2 HIS A 120 -13.242 3.237 20.825 1.00 0.00 N ATOM 1954 OXT HIS A 120 -12.272 -1.716 22.832 1.00 0.00 O ATOM 0 H HIS A 120 -15.551 -2.280 22.029 1.00 0.00 H new ATOM 0 HA HIS A 120 -13.900 -0.993 20.118 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -15.570 0.052 21.719 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.407 -0.200 23.006 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -15.151 2.341 20.222 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -11.366 3.357 21.847 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.252 4.123 20.320 1.00 0.00 H new TER 1962 HIS A 120