USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 5:sc= -0.415 USER MOD Set 1.2: A 64 MET CE :methyl 141:sc= -7.35! (180deg=-14.2!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 158:sc= 0.175 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot -20:sc= 0.135 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -43:sc= 1.14 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -1.33 USER MOD Single : A 13 ASN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 14 MET CE :methyl 156:sc= -0.609 (180deg=-2.49!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -121:sc= -1.71 (180deg=-4.03!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 12:sc= -2.4! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 157:sc= -8.27! (180deg=-10.1!) USER MOD Single : A 61 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.2!) USER MOD Single : A 62 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 68 LYS NZ :NH3+ -167:sc=-0.00124 (180deg=-0.185) USER MOD Single : A 71 ASN : amide:sc= -0.216 K(o=-0.22,f=-6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0827 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.394 F(o=-1.1,f=-0.39) USER MOD Single : A 86 SER OG : rot 148:sc= 0.376 USER MOD Single : A 87 THR OG1 : rot -54:sc= 0.18 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.87 K(o=-0.87,f=-6.5!) USER MOD Single : A 97 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.1) USER MOD Single : A 100 SER OG : rot 155:sc= 2.14 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.216 16.909 -28.564 1.00 0.00 N ATOM 2 CA GLY A 1 4.814 17.294 -28.575 1.00 0.00 C ATOM 3 C GLY A 1 4.466 18.134 -27.345 1.00 0.00 C ATOM 4 O GLY A 1 5.302 18.326 -26.463 1.00 0.00 O ATOM 0 H1 GLY A 1 6.697 17.328 -29.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.663 17.251 -27.689 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.292 15.873 -28.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.596 17.861 -29.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.188 16.402 -28.599 1.00 0.00 H new ATOM 8 N SER A 2 3.231 18.612 -27.325 1.00 0.00 N ATOM 9 CA SER A 2 2.762 19.427 -26.217 1.00 0.00 C ATOM 10 C SER A 2 2.925 18.665 -24.900 1.00 0.00 C ATOM 11 O SER A 2 2.598 17.482 -24.819 1.00 0.00 O ATOM 12 CB SER A 2 1.301 19.838 -26.415 1.00 0.00 C ATOM 13 OG SER A 2 0.404 18.764 -26.145 1.00 0.00 O ATOM 0 H SER A 2 2.540 18.451 -28.058 1.00 0.00 H new ATOM 0 HA SER A 2 3.365 20.334 -26.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.069 20.678 -25.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.157 20.182 -27.439 1.00 0.00 H new ATOM 0 HG SER A 2 -0.518 19.066 -26.281 1.00 0.00 H new ATOM 19 N SER A 3 3.432 19.374 -23.902 1.00 0.00 N ATOM 20 CA SER A 3 3.642 18.779 -22.593 1.00 0.00 C ATOM 21 C SER A 3 3.870 19.876 -21.551 1.00 0.00 C ATOM 22 O SER A 3 4.609 20.828 -21.797 1.00 0.00 O ATOM 23 CB SER A 3 4.827 17.811 -22.613 1.00 0.00 C ATOM 24 OG SER A 3 4.735 16.835 -21.579 1.00 0.00 O ATOM 0 H SER A 3 3.703 20.355 -23.973 1.00 0.00 H new ATOM 0 HA SER A 3 2.749 18.213 -22.326 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.871 17.311 -23.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.755 18.371 -22.501 1.00 0.00 H new ATOM 0 HG SER A 3 5.508 16.235 -21.626 1.00 0.00 H new ATOM 30 N GLY A 4 3.222 19.705 -20.408 1.00 0.00 N ATOM 31 CA GLY A 4 3.345 20.668 -19.327 1.00 0.00 C ATOM 32 C GLY A 4 2.632 20.173 -18.067 1.00 0.00 C ATOM 33 O GLY A 4 2.767 19.010 -17.690 1.00 0.00 O ATOM 0 H GLY A 4 2.610 18.914 -20.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.399 20.842 -19.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.922 21.624 -19.637 1.00 0.00 H new ATOM 37 N SER A 5 1.888 21.080 -17.451 1.00 0.00 N ATOM 38 CA SER A 5 1.153 20.749 -16.242 1.00 0.00 C ATOM 39 C SER A 5 2.116 20.239 -15.168 1.00 0.00 C ATOM 40 O SER A 5 3.286 19.982 -15.449 1.00 0.00 O ATOM 41 CB SER A 5 0.071 19.705 -16.523 1.00 0.00 C ATOM 42 OG SER A 5 0.600 18.382 -16.554 1.00 0.00 O ATOM 0 H SER A 5 1.778 22.044 -17.766 1.00 0.00 H new ATOM 0 HA SER A 5 0.662 21.653 -15.882 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.702 19.769 -15.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.407 19.927 -17.477 1.00 0.00 H new ATOM 0 HG SER A 5 1.446 18.380 -17.048 1.00 0.00 H new ATOM 48 N SER A 6 1.589 20.109 -13.959 1.00 0.00 N ATOM 49 CA SER A 6 2.387 19.634 -12.842 1.00 0.00 C ATOM 50 C SER A 6 1.474 19.098 -11.738 1.00 0.00 C ATOM 51 O SER A 6 0.269 19.346 -11.748 1.00 0.00 O ATOM 52 CB SER A 6 3.284 20.746 -12.295 1.00 0.00 C ATOM 53 OG SER A 6 2.545 21.713 -11.554 1.00 0.00 O ATOM 0 H SER A 6 0.619 20.325 -13.729 1.00 0.00 H new ATOM 0 HA SER A 6 3.029 18.828 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.053 20.310 -11.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.797 21.237 -13.122 1.00 0.00 H new ATOM 0 HG SER A 6 3.154 22.405 -11.221 1.00 0.00 H new ATOM 59 N GLY A 7 2.083 18.371 -10.812 1.00 0.00 N ATOM 60 CA GLY A 7 1.340 17.797 -9.703 1.00 0.00 C ATOM 61 C GLY A 7 2.153 16.705 -9.005 1.00 0.00 C ATOM 62 O GLY A 7 2.776 15.874 -9.664 1.00 0.00 O ATOM 0 H GLY A 7 3.082 18.167 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.085 18.579 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.401 17.380 -10.067 1.00 0.00 H new ATOM 66 N ASP A 8 2.120 16.741 -7.681 1.00 0.00 N ATOM 67 CA ASP A 8 2.846 15.765 -6.887 1.00 0.00 C ATOM 68 C ASP A 8 1.915 14.601 -6.542 1.00 0.00 C ATOM 69 O ASP A 8 1.359 14.550 -5.446 1.00 0.00 O ATOM 70 CB ASP A 8 3.341 16.379 -5.576 1.00 0.00 C ATOM 71 CG ASP A 8 4.527 17.335 -5.717 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.323 18.407 -6.326 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.612 16.971 -5.213 1.00 0.00 O ATOM 0 H ASP A 8 1.601 17.431 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 8 3.701 15.425 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.515 16.915 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.622 15.573 -4.898 1.00 0.00 H new ATOM 78 N LYS A 9 1.773 13.694 -7.498 1.00 0.00 N ATOM 79 CA LYS A 9 0.919 12.534 -7.309 1.00 0.00 C ATOM 80 C LYS A 9 1.717 11.264 -7.610 1.00 0.00 C ATOM 81 O LYS A 9 1.766 10.814 -8.754 1.00 0.00 O ATOM 82 CB LYS A 9 -0.359 12.669 -8.139 1.00 0.00 C ATOM 83 CG LYS A 9 -1.002 14.042 -7.937 1.00 0.00 C ATOM 84 CD LYS A 9 -2.528 13.946 -7.987 1.00 0.00 C ATOM 85 CE LYS A 9 -3.079 14.626 -9.242 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.401 15.231 -8.966 1.00 0.00 N ATOM 0 H LYS A 9 2.235 13.739 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 9 0.592 12.467 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.128 12.523 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.065 11.888 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.691 14.455 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.652 14.728 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.831 12.899 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.955 14.413 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.384 15.395 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.167 13.898 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.760 15.688 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.066 14.490 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.307 15.940 -8.211 1.00 0.00 H new ATOM 100 N PRO A 10 2.340 10.708 -6.536 1.00 0.00 N ATOM 101 CA PRO A 10 3.133 9.499 -6.675 1.00 0.00 C ATOM 102 C PRO A 10 2.236 8.270 -6.835 1.00 0.00 C ATOM 103 O PRO A 10 2.530 7.383 -7.635 1.00 0.00 O ATOM 104 CB PRO A 10 3.993 9.447 -5.422 1.00 0.00 C ATOM 105 CG PRO A 10 3.323 10.370 -4.418 1.00 0.00 C ATOM 106 CD PRO A 10 2.305 11.214 -5.167 1.00 0.00 C ATOM 0 HA PRO A 10 3.755 9.505 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.058 8.430 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.011 9.773 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.836 9.791 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.063 11.006 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.310 11.113 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.563 12.272 -5.129 1.00 0.00 H new ATOM 114 N LEU A 11 1.161 8.256 -6.061 1.00 0.00 N ATOM 115 CA LEU A 11 0.220 7.151 -6.106 1.00 0.00 C ATOM 116 C LEU A 11 -0.709 7.327 -7.309 1.00 0.00 C ATOM 117 O LEU A 11 -1.303 6.361 -7.787 1.00 0.00 O ATOM 118 CB LEU A 11 -0.519 7.020 -4.773 1.00 0.00 C ATOM 119 CG LEU A 11 0.321 6.545 -3.585 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.359 5.512 -4.026 1.00 0.00 C ATOM 121 CD2 LEU A 11 0.962 7.729 -2.859 1.00 0.00 C ATOM 0 H LEU A 11 0.921 8.993 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 11 0.748 6.207 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.951 7.989 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.349 6.326 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.341 6.052 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.942 5.191 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.853 4.651 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.023 5.957 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.553 7.364 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.608 8.272 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.182 8.396 -2.491 1.00 0.00 H new ATOM 133 N SER A 12 -0.807 8.568 -7.764 1.00 0.00 N ATOM 134 CA SER A 12 -1.653 8.883 -8.902 1.00 0.00 C ATOM 135 C SER A 12 -1.670 7.710 -9.883 1.00 0.00 C ATOM 136 O SER A 12 -0.682 7.457 -10.571 1.00 0.00 O ATOM 137 CB SER A 12 -1.179 10.157 -9.605 1.00 0.00 C ATOM 138 OG SER A 12 -2.190 11.161 -9.630 1.00 0.00 O ATOM 0 H SER A 12 -0.314 9.367 -7.365 1.00 0.00 H new ATOM 0 HA SER A 12 -2.665 9.057 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.296 10.544 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.880 9.918 -10.626 1.00 0.00 H new ATOM 0 HG SER A 12 -1.987 11.812 -10.334 1.00 0.00 H new ATOM 144 N ASN A 13 -2.803 7.024 -9.917 1.00 0.00 N ATOM 145 CA ASN A 13 -2.962 5.883 -10.802 1.00 0.00 C ATOM 146 C ASN A 13 -2.330 4.649 -10.155 1.00 0.00 C ATOM 147 O ASN A 13 -1.473 4.000 -10.753 1.00 0.00 O ATOM 148 CB ASN A 13 -2.263 6.124 -12.142 1.00 0.00 C ATOM 149 CG ASN A 13 -2.972 5.377 -13.273 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.819 5.912 -13.969 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.580 4.114 -13.416 1.00 0.00 N ATOM 0 H ASN A 13 -3.620 7.237 -9.345 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.028 5.735 -10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.247 7.192 -12.361 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.225 5.796 -12.079 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.994 3.531 -14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.865 3.729 -12.798 1.00 0.00 H new ATOM 158 N MET A 14 -2.778 4.362 -8.942 1.00 0.00 N ATOM 159 CA MET A 14 -2.268 3.217 -8.207 1.00 0.00 C ATOM 160 C MET A 14 -3.248 2.784 -7.115 1.00 0.00 C ATOM 161 O MET A 14 -3.647 3.592 -6.278 1.00 0.00 O ATOM 162 CB MET A 14 -0.923 3.576 -7.572 1.00 0.00 C ATOM 163 CG MET A 14 0.095 3.986 -8.638 1.00 0.00 C ATOM 164 SD MET A 14 1.716 4.141 -7.907 1.00 0.00 S ATOM 165 CE MET A 14 1.843 2.557 -7.094 1.00 0.00 C ATOM 0 H MET A 14 -3.489 4.903 -8.449 1.00 0.00 H new ATOM 0 HA MET A 14 -2.142 2.389 -8.905 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.059 4.391 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.543 2.723 -7.010 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.117 3.244 -9.436 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.201 4.933 -9.090 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.894 2.301 -6.958 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.353 2.607 -6.122 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.360 1.795 -7.705 1.00 0.00 H new ATOM 175 N LYS A 15 -3.609 1.510 -7.160 1.00 0.00 N ATOM 176 CA LYS A 15 -4.536 0.960 -6.185 1.00 0.00 C ATOM 177 C LYS A 15 -3.751 0.436 -4.981 1.00 0.00 C ATOM 178 O LYS A 15 -3.105 -0.607 -5.062 1.00 0.00 O ATOM 179 CB LYS A 15 -5.436 -0.092 -6.836 1.00 0.00 C ATOM 180 CG LYS A 15 -6.571 0.569 -7.622 1.00 0.00 C ATOM 181 CD LYS A 15 -7.359 -0.468 -8.424 1.00 0.00 C ATOM 182 CE LYS A 15 -6.590 -0.893 -9.677 1.00 0.00 C ATOM 183 NZ LYS A 15 -6.980 -0.056 -10.833 1.00 0.00 N ATOM 0 H LYS A 15 -3.276 0.843 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.206 1.736 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.845 -0.720 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.852 -0.745 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.240 1.088 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.161 1.321 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.557 -1.340 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.326 -0.054 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.518 -0.803 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.791 -1.942 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.449 -0.358 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.999 -0.162 -11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.766 0.941 -10.628 1.00 0.00 H new ATOM 197 N ILE A 16 -3.833 1.185 -3.891 1.00 0.00 N ATOM 198 CA ILE A 16 -3.138 0.810 -2.671 1.00 0.00 C ATOM 199 C ILE A 16 -4.110 0.085 -1.738 1.00 0.00 C ATOM 200 O ILE A 16 -5.238 0.536 -1.540 1.00 0.00 O ATOM 201 CB ILE A 16 -2.472 2.032 -2.036 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.432 2.642 -2.979 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.873 1.683 -0.672 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.097 3.557 -4.010 1.00 0.00 C ATOM 0 H ILE A 16 -4.370 2.050 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.329 0.114 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.238 2.789 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.701 3.209 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.888 1.847 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.406 2.569 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.662 1.330 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.124 0.900 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.336 3.978 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.810 2.982 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.619 4.364 -3.497 1.00 0.00 H new ATOM 216 N LEU A 17 -3.639 -1.025 -1.190 1.00 0.00 N ATOM 217 CA LEU A 17 -4.452 -1.816 -0.283 1.00 0.00 C ATOM 218 C LEU A 17 -3.877 -1.715 1.131 1.00 0.00 C ATOM 219 O LEU A 17 -2.673 -1.528 1.304 1.00 0.00 O ATOM 220 CB LEU A 17 -4.581 -3.253 -0.793 1.00 0.00 C ATOM 221 CG LEU A 17 -5.452 -4.188 0.049 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.758 -4.521 -0.676 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.680 -5.447 0.446 1.00 0.00 C ATOM 0 H LEU A 17 -2.703 -1.396 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.468 -1.424 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.987 -3.224 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.582 -3.684 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.718 -3.670 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.359 -5.187 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.313 -3.602 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.533 -5.011 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.322 -6.094 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.364 -5.978 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.803 -5.167 1.030 1.00 0.00 H new ATOM 235 N THR A 18 -4.764 -1.842 2.107 1.00 0.00 N ATOM 236 CA THR A 18 -4.359 -1.767 3.501 1.00 0.00 C ATOM 237 C THR A 18 -4.822 -3.014 4.258 1.00 0.00 C ATOM 238 O THR A 18 -5.836 -3.616 3.909 1.00 0.00 O ATOM 239 CB THR A 18 -4.908 -0.464 4.083 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.316 -0.562 3.888 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.503 0.762 3.261 1.00 0.00 C ATOM 0 H THR A 18 -5.762 -1.996 1.960 1.00 0.00 H new ATOM 0 HA THR A 18 -3.273 -1.751 3.598 1.00 0.00 H new ATOM 0 HB THR A 18 -4.554 -0.347 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.752 0.243 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.919 1.660 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.416 0.839 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.885 0.661 2.245 1.00 0.00 H new ATOM 249 N LEU A 19 -4.057 -3.363 5.282 1.00 0.00 N ATOM 250 CA LEU A 19 -4.375 -4.527 6.091 1.00 0.00 C ATOM 251 C LEU A 19 -4.186 -4.182 7.570 1.00 0.00 C ATOM 252 O LEU A 19 -3.720 -3.092 7.902 1.00 0.00 O ATOM 253 CB LEU A 19 -3.561 -5.738 5.633 1.00 0.00 C ATOM 254 CG LEU A 19 -4.322 -6.793 4.828 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.356 -7.736 4.108 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.310 -7.553 5.715 1.00 0.00 C ATOM 0 H LEU A 19 -3.218 -2.860 5.570 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.420 -4.808 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.726 -5.382 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.136 -6.219 6.514 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.905 -6.282 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.923 -8.476 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.728 -7.162 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.728 -8.242 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.838 -8.297 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.768 -8.051 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.029 -6.853 6.141 1.00 0.00 H new ATOM 268 N GLY A 20 -4.555 -5.130 8.418 1.00 0.00 N ATOM 269 CA GLY A 20 -4.432 -4.939 9.853 1.00 0.00 C ATOM 270 C GLY A 20 -4.919 -3.549 10.266 1.00 0.00 C ATOM 271 O GLY A 20 -5.814 -2.989 9.636 1.00 0.00 O ATOM 0 H GLY A 20 -4.939 -6.033 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.011 -5.701 10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.392 -5.067 10.153 1.00 0.00 H new ATOM 275 N LYS A 21 -4.308 -3.032 11.323 1.00 0.00 N ATOM 276 CA LYS A 21 -4.669 -1.718 11.827 1.00 0.00 C ATOM 277 C LYS A 21 -3.430 -0.821 11.831 1.00 0.00 C ATOM 278 O LYS A 21 -2.398 -1.184 12.394 1.00 0.00 O ATOM 279 CB LYS A 21 -5.347 -1.837 13.193 1.00 0.00 C ATOM 280 CG LYS A 21 -5.747 -0.460 13.728 1.00 0.00 C ATOM 281 CD LYS A 21 -4.786 0.002 14.826 1.00 0.00 C ATOM 282 CE LYS A 21 -5.368 -0.270 16.214 1.00 0.00 C ATOM 283 NZ LYS A 21 -4.369 0.032 17.264 1.00 0.00 N ATOM 0 H LYS A 21 -3.566 -3.500 11.844 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.402 -1.246 11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.231 -2.470 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.672 -2.323 13.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.749 0.264 12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.763 -0.500 14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.832 -0.515 14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.586 1.068 14.714 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.260 0.338 16.366 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.677 -1.313 16.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.781 -0.158 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.530 -0.566 17.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.094 1.033 17.204 1.00 0.00 H new ATOM 297 N LEU A 22 -3.573 0.334 11.197 1.00 0.00 N ATOM 298 CA LEU A 22 -2.478 1.286 11.121 1.00 0.00 C ATOM 299 C LEU A 22 -2.692 2.387 12.161 1.00 0.00 C ATOM 300 O LEU A 22 -3.742 2.448 12.798 1.00 0.00 O ATOM 301 CB LEU A 22 -2.323 1.811 9.692 1.00 0.00 C ATOM 302 CG LEU A 22 -2.200 0.749 8.597 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.833 1.234 7.290 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.743 0.325 8.405 1.00 0.00 C ATOM 0 H LEU A 22 -4.430 0.632 10.731 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.533 0.800 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.181 2.443 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.439 2.448 9.654 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.753 -0.135 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.732 0.461 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.889 1.446 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.329 2.141 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.684 -0.430 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.147 1.191 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.359 -0.089 9.337 1.00 0.00 H new ATOM 316 N SER A 23 -1.679 3.230 12.301 1.00 0.00 N ATOM 317 CA SER A 23 -1.743 4.326 13.253 1.00 0.00 C ATOM 318 C SER A 23 -2.984 5.180 12.984 1.00 0.00 C ATOM 319 O SER A 23 -3.679 5.581 13.916 1.00 0.00 O ATOM 320 CB SER A 23 -0.481 5.188 13.186 1.00 0.00 C ATOM 321 OG SER A 23 -0.016 5.554 14.482 1.00 0.00 O ATOM 0 H SER A 23 -0.809 3.176 11.771 1.00 0.00 H new ATOM 0 HA SER A 23 -1.810 3.905 14.256 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.303 4.643 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.687 6.088 12.607 1.00 0.00 H new ATOM 0 HG SER A 23 0.792 6.102 14.397 1.00 0.00 H new ATOM 327 N ARG A 24 -3.224 5.433 11.706 1.00 0.00 N ATOM 328 CA ARG A 24 -4.368 6.233 11.303 1.00 0.00 C ATOM 329 C ARG A 24 -5.570 5.331 11.014 1.00 0.00 C ATOM 330 O ARG A 24 -5.452 4.107 11.039 1.00 0.00 O ATOM 331 CB ARG A 24 -4.050 7.062 10.058 1.00 0.00 C ATOM 332 CG ARG A 24 -3.184 8.273 10.412 1.00 0.00 C ATOM 333 CD ARG A 24 -3.758 9.554 9.803 1.00 0.00 C ATOM 334 NE ARG A 24 -2.748 10.635 9.854 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.391 11.278 10.975 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.960 10.953 12.143 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.466 12.246 10.926 1.00 0.00 N ATOM 0 H ARG A 24 -2.645 5.098 10.936 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.605 6.909 12.124 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.532 6.442 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.977 7.397 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.123 8.377 11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.168 8.117 10.049 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.058 9.373 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.653 9.856 10.347 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.295 10.908 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.665 10.216 12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.689 11.442 12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.034 12.494 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.194 12.735 11.779 1.00 0.00 H new ATOM 351 N ASN A 25 -6.699 5.971 10.746 1.00 0.00 N ATOM 352 CA ASN A 25 -7.921 5.242 10.452 1.00 0.00 C ATOM 353 C ASN A 25 -7.998 4.969 8.949 1.00 0.00 C ATOM 354 O ASN A 25 -7.463 5.734 8.147 1.00 0.00 O ATOM 355 CB ASN A 25 -9.155 6.054 10.849 1.00 0.00 C ATOM 356 CG ASN A 25 -9.340 6.065 12.368 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.723 5.308 13.099 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.221 6.962 12.800 1.00 0.00 N ATOM 0 H ASN A 25 -6.793 6.986 10.726 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.904 4.311 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.055 7.076 10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.041 5.632 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.415 7.047 13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.703 7.565 12.134 1.00 0.00 H new ATOM 365 N LYS A 26 -8.667 3.876 8.612 1.00 0.00 N ATOM 366 CA LYS A 26 -8.821 3.493 7.219 1.00 0.00 C ATOM 367 C LYS A 26 -9.104 4.740 6.379 1.00 0.00 C ATOM 368 O LYS A 26 -8.351 5.058 5.460 1.00 0.00 O ATOM 369 CB LYS A 26 -9.884 2.402 7.078 1.00 0.00 C ATOM 370 CG LYS A 26 -9.268 1.099 6.564 1.00 0.00 C ATOM 371 CD LYS A 26 -10.354 0.119 6.113 1.00 0.00 C ATOM 372 CE LYS A 26 -10.069 -0.405 4.705 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.429 -1.837 4.602 1.00 0.00 N ATOM 0 H LYS A 26 -9.108 3.244 9.280 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.897 3.057 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.361 2.227 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.663 2.735 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.598 1.313 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.665 0.643 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.408 -0.716 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.325 0.613 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.636 0.172 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.014 -0.271 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.229 -2.177 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.870 -2.386 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.441 -1.956 4.808 1.00 0.00 H new ATOM 387 N ASP A 27 -10.192 5.413 6.725 1.00 0.00 N ATOM 388 CA ASP A 27 -10.584 6.618 6.015 1.00 0.00 C ATOM 389 C ASP A 27 -9.368 7.534 5.864 1.00 0.00 C ATOM 390 O ASP A 27 -8.908 7.783 4.751 1.00 0.00 O ATOM 391 CB ASP A 27 -11.661 7.385 6.784 1.00 0.00 C ATOM 392 CG ASP A 27 -12.494 8.352 5.940 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.894 7.938 4.831 1.00 0.00 O ATOM 394 OD2 ASP A 27 -12.711 9.485 6.424 1.00 0.00 O ATOM 0 H ASP A 27 -10.814 5.146 7.488 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.977 6.323 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.332 6.666 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.183 7.946 7.587 1.00 0.00 H new ATOM 399 N GLU A 28 -8.882 8.012 7.001 1.00 0.00 N ATOM 400 CA GLU A 28 -7.729 8.895 7.009 1.00 0.00 C ATOM 401 C GLU A 28 -6.703 8.439 5.970 1.00 0.00 C ATOM 402 O GLU A 28 -6.100 9.263 5.284 1.00 0.00 O ATOM 403 CB GLU A 28 -7.103 8.966 8.404 1.00 0.00 C ATOM 404 CG GLU A 28 -8.033 9.680 9.387 1.00 0.00 C ATOM 405 CD GLU A 28 -7.255 10.668 10.259 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.489 11.462 9.671 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.444 10.606 11.493 1.00 0.00 O ATOM 0 H GLU A 28 -9.266 7.804 7.923 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.063 9.898 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.892 7.959 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.150 9.492 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.812 10.209 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.532 8.946 10.020 1.00 0.00 H new ATOM 414 N VAL A 29 -6.536 7.127 5.887 1.00 0.00 N ATOM 415 CA VAL A 29 -5.594 6.551 4.943 1.00 0.00 C ATOM 416 C VAL A 29 -6.186 6.616 3.533 1.00 0.00 C ATOM 417 O VAL A 29 -5.544 7.114 2.609 1.00 0.00 O ATOM 418 CB VAL A 29 -5.227 5.129 5.371 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.315 4.463 4.339 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.580 5.124 6.758 1.00 0.00 C ATOM 0 H VAL A 29 -7.037 6.447 6.458 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.666 7.123 4.933 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.148 4.549 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.070 3.453 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.826 4.417 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.398 5.044 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.329 4.101 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.673 5.728 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.277 5.539 7.486 1.00 0.00 H new ATOM 430 N LYS A 30 -7.403 6.107 3.413 1.00 0.00 N ATOM 431 CA LYS A 30 -8.089 6.101 2.132 1.00 0.00 C ATOM 432 C LYS A 30 -8.016 7.498 1.513 1.00 0.00 C ATOM 433 O LYS A 30 -7.913 7.637 0.295 1.00 0.00 O ATOM 434 CB LYS A 30 -9.515 5.572 2.290 1.00 0.00 C ATOM 435 CG LYS A 30 -10.390 5.992 1.107 1.00 0.00 C ATOM 436 CD LYS A 30 -11.860 5.657 1.366 1.00 0.00 C ATOM 437 CE LYS A 30 -12.423 4.765 0.258 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.405 3.806 0.812 1.00 0.00 N ATOM 0 H LYS A 30 -7.932 5.696 4.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.596 5.419 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.497 4.485 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.946 5.949 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.283 7.063 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.052 5.486 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.958 5.154 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.441 6.577 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.898 5.380 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.612 4.223 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.777 3.209 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.941 3.207 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.188 4.328 1.255 1.00 0.00 H new ATOM 452 N ALA A 31 -8.072 8.498 2.381 1.00 0.00 N ATOM 453 CA ALA A 31 -8.014 9.880 1.935 1.00 0.00 C ATOM 454 C ALA A 31 -6.607 10.186 1.417 1.00 0.00 C ATOM 455 O ALA A 31 -6.449 10.775 0.349 1.00 0.00 O ATOM 456 CB ALA A 31 -8.428 10.805 3.082 1.00 0.00 C ATOM 0 H ALA A 31 -8.157 8.379 3.390 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.711 10.048 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.384 11.841 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.445 10.566 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.750 10.667 3.924 1.00 0.00 H new ATOM 462 N MET A 32 -5.621 9.772 2.199 1.00 0.00 N ATOM 463 CA MET A 32 -4.233 9.994 1.833 1.00 0.00 C ATOM 464 C MET A 32 -3.935 9.430 0.442 1.00 0.00 C ATOM 465 O MET A 32 -3.580 10.174 -0.470 1.00 0.00 O ATOM 466 CB MET A 32 -3.320 9.324 2.862 1.00 0.00 C ATOM 467 CG MET A 32 -2.527 10.366 3.653 1.00 0.00 C ATOM 468 SD MET A 32 -1.405 11.232 2.567 1.00 0.00 S ATOM 469 CE MET A 32 0.125 11.004 3.457 1.00 0.00 C ATOM 0 H MET A 32 -5.756 9.284 3.085 1.00 0.00 H new ATOM 0 HA MET A 32 -4.049 11.068 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.918 8.721 3.546 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.633 8.646 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.209 11.074 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.969 9.880 4.453 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.548 11.977 3.709 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.066 10.444 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.829 10.452 2.834 1.00 0.00 H new ATOM 479 N ILE A 33 -4.091 8.119 0.325 1.00 0.00 N ATOM 480 CA ILE A 33 -3.843 7.447 -0.940 1.00 0.00 C ATOM 481 C ILE A 33 -4.574 8.190 -2.059 1.00 0.00 C ATOM 482 O ILE A 33 -4.060 8.307 -3.171 1.00 0.00 O ATOM 483 CB ILE A 33 -4.214 5.966 -0.840 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.370 5.260 0.223 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.108 5.282 -2.204 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.080 4.009 0.745 1.00 0.00 C ATOM 0 H ILE A 33 -4.386 7.505 1.084 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.781 7.471 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.255 5.895 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.403 4.985 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.174 5.943 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.377 4.230 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.786 5.766 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.085 5.362 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.459 3.526 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.035 4.291 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.253 3.318 -0.080 1.00 0.00 H new ATOM 498 N GLU A 34 -5.762 8.674 -1.728 1.00 0.00 N ATOM 499 CA GLU A 34 -6.569 9.403 -2.691 1.00 0.00 C ATOM 500 C GLU A 34 -5.998 10.805 -2.910 1.00 0.00 C ATOM 501 O GLU A 34 -6.121 11.367 -3.997 1.00 0.00 O ATOM 502 CB GLU A 34 -8.031 9.470 -2.244 1.00 0.00 C ATOM 503 CG GLU A 34 -8.776 8.185 -2.609 1.00 0.00 C ATOM 504 CD GLU A 34 -10.180 8.495 -3.132 1.00 0.00 C ATOM 505 OE1 GLU A 34 -11.101 8.547 -2.288 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.301 8.672 -4.363 1.00 0.00 O ATOM 0 H GLU A 34 -6.185 8.575 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.538 8.867 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.079 9.628 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.520 10.324 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.215 7.638 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.844 7.539 -1.734 1.00 0.00 H new ATOM 513 N LYS A 35 -5.384 11.330 -1.859 1.00 0.00 N ATOM 514 CA LYS A 35 -4.793 12.656 -1.923 1.00 0.00 C ATOM 515 C LYS A 35 -3.565 12.619 -2.834 1.00 0.00 C ATOM 516 O LYS A 35 -3.393 13.489 -3.686 1.00 0.00 O ATOM 517 CB LYS A 35 -4.499 13.179 -0.515 1.00 0.00 C ATOM 518 CG LYS A 35 -3.479 14.318 -0.556 1.00 0.00 C ATOM 519 CD LYS A 35 -2.136 13.873 0.026 1.00 0.00 C ATOM 520 CE LYS A 35 -1.852 14.581 1.353 1.00 0.00 C ATOM 521 NZ LYS A 35 -0.793 15.600 1.180 1.00 0.00 N ATOM 0 H LYS A 35 -5.283 10.861 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.494 13.365 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.422 13.529 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.119 12.368 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.341 14.651 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.858 15.171 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.142 12.794 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.338 14.090 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.762 15.053 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.544 13.852 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.863 16.306 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.140 15.141 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.911 16.070 0.260 1.00 0.00 H new ATOM 535 N LEU A 36 -2.742 11.602 -2.623 1.00 0.00 N ATOM 536 CA LEU A 36 -1.534 11.440 -3.415 1.00 0.00 C ATOM 537 C LEU A 36 -1.916 11.201 -4.877 1.00 0.00 C ATOM 538 O LEU A 36 -1.063 11.247 -5.761 1.00 0.00 O ATOM 539 CB LEU A 36 -0.649 10.342 -2.823 1.00 0.00 C ATOM 540 CG LEU A 36 0.326 10.783 -1.729 1.00 0.00 C ATOM 541 CD1 LEU A 36 1.330 11.804 -2.267 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.427 11.309 -0.505 1.00 0.00 C ATOM 0 H LEU A 36 -2.888 10.882 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.935 12.350 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.294 9.564 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.076 9.889 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 36 0.896 9.911 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.011 12.100 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.899 11.359 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.796 12.681 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.288 11.616 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.039 12.164 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.068 10.522 -0.106 1.00 0.00 H new ATOM 554 N GLY A 37 -3.201 10.951 -5.086 1.00 0.00 N ATOM 555 CA GLY A 37 -3.706 10.704 -6.426 1.00 0.00 C ATOM 556 C GLY A 37 -4.080 9.232 -6.608 1.00 0.00 C ATOM 557 O GLY A 37 -4.712 8.866 -7.599 1.00 0.00 O ATOM 0 H GLY A 37 -3.907 10.914 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.579 11.330 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.951 10.985 -7.160 1.00 0.00 H new ATOM 561 N GLY A 38 -3.675 8.426 -5.638 1.00 0.00 N ATOM 562 CA GLY A 38 -3.959 7.002 -5.679 1.00 0.00 C ATOM 563 C GLY A 38 -5.420 6.724 -5.319 1.00 0.00 C ATOM 564 O GLY A 38 -6.267 7.612 -5.416 1.00 0.00 O ATOM 0 H GLY A 38 -3.152 8.733 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.746 6.614 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.303 6.477 -4.985 1.00 0.00 H new ATOM 568 N LYS A 39 -5.672 5.489 -4.912 1.00 0.00 N ATOM 569 CA LYS A 39 -7.016 5.083 -4.538 1.00 0.00 C ATOM 570 C LYS A 39 -6.945 3.792 -3.720 1.00 0.00 C ATOM 571 O LYS A 39 -6.326 2.817 -4.145 1.00 0.00 O ATOM 572 CB LYS A 39 -7.908 4.979 -5.776 1.00 0.00 C ATOM 573 CG LYS A 39 -8.661 6.289 -6.021 1.00 0.00 C ATOM 574 CD LYS A 39 -10.174 6.063 -6.007 1.00 0.00 C ATOM 575 CE LYS A 39 -10.848 6.797 -7.168 1.00 0.00 C ATOM 576 NZ LYS A 39 -12.145 6.165 -7.497 1.00 0.00 N ATOM 0 H LYS A 39 -4.968 4.755 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.479 5.838 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.300 4.736 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.621 4.164 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.391 7.016 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.362 6.711 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.387 4.996 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.589 6.412 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.003 7.843 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.197 6.782 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.589 6.675 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.989 5.174 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.770 6.202 -6.666 1.00 0.00 H new ATOM 590 N LEU A 40 -7.587 3.826 -2.562 1.00 0.00 N ATOM 591 CA LEU A 40 -7.605 2.671 -1.681 1.00 0.00 C ATOM 592 C LEU A 40 -8.549 1.612 -2.256 1.00 0.00 C ATOM 593 O LEU A 40 -9.635 1.936 -2.732 1.00 0.00 O ATOM 594 CB LEU A 40 -7.950 3.092 -0.252 1.00 0.00 C ATOM 595 CG LEU A 40 -7.724 2.035 0.832 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.786 2.559 1.921 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.055 1.547 1.408 1.00 0.00 C ATOM 0 H LEU A 40 -8.099 4.636 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.615 2.219 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.359 3.973 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.997 3.393 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.237 1.174 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.642 1.789 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.824 2.817 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.223 3.445 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.866 0.797 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.592 2.388 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.657 1.108 0.612 1.00 0.00 H new ATOM 609 N THR A 41 -8.099 0.367 -2.191 1.00 0.00 N ATOM 610 CA THR A 41 -8.889 -0.741 -2.699 1.00 0.00 C ATOM 611 C THR A 41 -9.112 -1.784 -1.601 1.00 0.00 C ATOM 612 O THR A 41 -8.497 -1.713 -0.539 1.00 0.00 O ATOM 613 CB THR A 41 -8.181 -1.301 -3.934 1.00 0.00 C ATOM 614 OG1 THR A 41 -8.958 -2.440 -4.294 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.802 -1.879 -3.607 1.00 0.00 C ATOM 0 H THR A 41 -7.198 0.102 -1.794 1.00 0.00 H new ATOM 0 HA THR A 41 -9.884 -0.412 -2.999 1.00 0.00 H new ATOM 0 HB THR A 41 -8.077 -0.513 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.570 -2.863 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.343 -2.263 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.171 -1.097 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.909 -2.689 -2.886 1.00 0.00 H new ATOM 623 N GLY A 42 -9.993 -2.728 -1.897 1.00 0.00 N ATOM 624 CA GLY A 42 -10.304 -3.784 -0.949 1.00 0.00 C ATOM 625 C GLY A 42 -9.655 -5.105 -1.367 1.00 0.00 C ATOM 626 O GLY A 42 -9.200 -5.873 -0.520 1.00 0.00 O ATOM 0 H GLY A 42 -10.501 -2.784 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.954 -3.501 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.385 -3.911 -0.882 1.00 0.00 H new ATOM 630 N THR A 43 -9.634 -5.330 -2.672 1.00 0.00 N ATOM 631 CA THR A 43 -9.049 -6.545 -3.213 1.00 0.00 C ATOM 632 C THR A 43 -7.544 -6.364 -3.424 1.00 0.00 C ATOM 633 O THR A 43 -7.104 -5.330 -3.925 1.00 0.00 O ATOM 634 CB THR A 43 -9.803 -6.904 -4.494 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.175 -6.879 -4.108 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.565 -8.352 -4.928 1.00 0.00 C ATOM 0 H THR A 43 -10.013 -4.691 -3.371 1.00 0.00 H new ATOM 0 HA THR A 43 -9.150 -7.377 -2.516 1.00 0.00 H new ATOM 0 HB THR A 43 -9.498 -6.230 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.736 -7.099 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.123 -8.554 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.502 -8.507 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.901 -9.028 -4.141 1.00 0.00 H new ATOM 644 N ALA A 44 -6.797 -7.385 -3.032 1.00 0.00 N ATOM 645 CA ALA A 44 -5.351 -7.351 -3.172 1.00 0.00 C ATOM 646 C ALA A 44 -4.980 -7.569 -4.641 1.00 0.00 C ATOM 647 O ALA A 44 -4.288 -6.746 -5.238 1.00 0.00 O ATOM 648 CB ALA A 44 -4.724 -8.400 -2.252 1.00 0.00 C ATOM 0 H ALA A 44 -7.166 -8.241 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.960 -6.379 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.639 -8.374 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.994 -8.185 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.092 -9.389 -2.524 1.00 0.00 H new ATOM 654 N ASN A 45 -5.457 -8.681 -5.180 1.00 0.00 N ATOM 655 CA ASN A 45 -5.185 -9.016 -6.568 1.00 0.00 C ATOM 656 C ASN A 45 -5.407 -7.779 -7.440 1.00 0.00 C ATOM 657 O ASN A 45 -4.665 -7.546 -8.393 1.00 0.00 O ATOM 658 CB ASN A 45 -6.123 -10.118 -7.062 1.00 0.00 C ATOM 659 CG ASN A 45 -5.387 -11.092 -7.985 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.526 -10.719 -8.764 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.773 -12.358 -7.854 1.00 0.00 N ATOM 0 H ASN A 45 -6.030 -9.362 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.154 -9.363 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.534 -10.659 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.964 -9.673 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.342 -13.084 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.500 -12.602 -7.182 1.00 0.00 H new ATOM 668 N LYS A 46 -6.432 -7.019 -7.084 1.00 0.00 N ATOM 669 CA LYS A 46 -6.761 -5.812 -7.822 1.00 0.00 C ATOM 670 C LYS A 46 -6.138 -4.604 -7.121 1.00 0.00 C ATOM 671 O LYS A 46 -6.794 -3.579 -6.942 1.00 0.00 O ATOM 672 CB LYS A 46 -8.275 -5.698 -8.015 1.00 0.00 C ATOM 673 CG LYS A 46 -8.816 -6.881 -8.821 1.00 0.00 C ATOM 674 CD LYS A 46 -9.594 -6.399 -10.047 1.00 0.00 C ATOM 675 CE LYS A 46 -10.138 -7.582 -10.850 1.00 0.00 C ATOM 676 NZ LYS A 46 -10.239 -7.232 -12.285 1.00 0.00 N ATOM 0 H LYS A 46 -7.046 -7.216 -6.294 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.337 -5.852 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.767 -5.660 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.511 -4.766 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.990 -7.518 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.464 -7.489 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.418 -5.759 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.945 -5.793 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.484 -8.445 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.119 -7.867 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.610 -8.046 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.881 -6.422 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.297 -6.982 -12.648 1.00 0.00 H new ATOM 690 N ALA A 47 -4.879 -4.765 -6.742 1.00 0.00 N ATOM 691 CA ALA A 47 -4.159 -3.700 -6.063 1.00 0.00 C ATOM 692 C ALA A 47 -2.745 -3.599 -6.637 1.00 0.00 C ATOM 693 O ALA A 47 -2.227 -4.566 -7.195 1.00 0.00 O ATOM 694 CB ALA A 47 -4.160 -3.963 -4.556 1.00 0.00 C ATOM 0 H ALA A 47 -4.338 -5.617 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.650 -2.740 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.620 -3.165 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.187 -3.995 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.673 -4.917 -4.353 1.00 0.00 H new ATOM 700 N SER A 48 -2.159 -2.421 -6.481 1.00 0.00 N ATOM 701 CA SER A 48 -0.815 -2.182 -6.977 1.00 0.00 C ATOM 702 C SER A 48 0.175 -2.149 -5.811 1.00 0.00 C ATOM 703 O SER A 48 1.336 -2.524 -5.967 1.00 0.00 O ATOM 704 CB SER A 48 -0.744 -0.875 -7.769 1.00 0.00 C ATOM 705 OG SER A 48 -1.394 -0.981 -9.033 1.00 0.00 O ATOM 0 H SER A 48 -2.591 -1.621 -6.018 1.00 0.00 H new ATOM 0 HA SER A 48 -0.549 -2.998 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.205 -0.075 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.300 -0.599 -7.920 1.00 0.00 H new ATOM 0 HG SER A 48 -1.328 -0.126 -9.507 1.00 0.00 H new ATOM 711 N LEU A 49 -0.321 -1.698 -4.668 1.00 0.00 N ATOM 712 CA LEU A 49 0.506 -1.612 -3.476 1.00 0.00 C ATOM 713 C LEU A 49 -0.284 -2.135 -2.274 1.00 0.00 C ATOM 714 O LEU A 49 -1.491 -2.353 -2.368 1.00 0.00 O ATOM 715 CB LEU A 49 1.034 -0.188 -3.292 1.00 0.00 C ATOM 716 CG LEU A 49 2.536 0.005 -3.513 1.00 0.00 C ATOM 717 CD1 LEU A 49 2.923 1.480 -3.394 1.00 0.00 C ATOM 718 CD2 LEU A 49 3.347 -0.879 -2.564 1.00 0.00 C ATOM 0 H LEU A 49 -1.285 -1.388 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 49 1.388 -2.244 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.499 0.468 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.790 0.141 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 49 2.775 -0.309 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.995 1.589 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.383 2.059 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.667 1.844 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.411 -0.723 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.109 -0.619 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.099 -1.926 -2.741 1.00 0.00 H new ATOM 730 N CYS A 50 0.429 -2.321 -1.174 1.00 0.00 N ATOM 731 CA CYS A 50 -0.190 -2.814 0.045 1.00 0.00 C ATOM 732 C CYS A 50 0.479 -2.125 1.236 1.00 0.00 C ATOM 733 O CYS A 50 1.702 -2.151 1.366 1.00 0.00 O ATOM 734 CB CYS A 50 -0.105 -4.338 0.145 1.00 0.00 C ATOM 735 SG CYS A 50 -1.372 -4.960 1.310 1.00 0.00 S ATOM 0 H CYS A 50 1.430 -2.139 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.253 -2.575 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.253 -4.784 -0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.888 -4.634 0.483 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.207 -4.005 1.594 1.00 0.00 H new ATOM 741 N ILE A 51 -0.352 -1.526 2.076 1.00 0.00 N ATOM 742 CA ILE A 51 0.143 -0.832 3.252 1.00 0.00 C ATOM 743 C ILE A 51 -0.334 -1.562 4.509 1.00 0.00 C ATOM 744 O ILE A 51 -1.444 -1.328 4.983 1.00 0.00 O ATOM 745 CB ILE A 51 -0.255 0.645 3.210 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.350 1.342 1.990 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.117 1.350 4.516 1.00 0.00 C ATOM 748 CD1 ILE A 51 0.009 2.833 1.985 1.00 0.00 C ATOM 0 H ILE A 51 -1.366 -1.507 1.965 1.00 0.00 H new ATOM 0 HA ILE A 51 1.233 -0.844 3.270 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.339 0.704 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.432 1.213 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.024 0.877 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.177 2.398 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.401 0.872 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.194 1.283 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.451 3.304 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.073 2.959 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.406 3.300 2.886 1.00 0.00 H new ATOM 760 N SER A 52 0.529 -2.433 5.012 1.00 0.00 N ATOM 761 CA SER A 52 0.209 -3.199 6.205 1.00 0.00 C ATOM 762 C SER A 52 1.317 -3.031 7.247 1.00 0.00 C ATOM 763 O SER A 52 2.218 -2.212 7.074 1.00 0.00 O ATOM 764 CB SER A 52 0.014 -4.679 5.872 1.00 0.00 C ATOM 765 OG SER A 52 -0.862 -5.322 6.794 1.00 0.00 O ATOM 0 H SER A 52 1.449 -2.625 4.615 1.00 0.00 H new ATOM 0 HA SER A 52 -0.727 -2.820 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.388 -4.774 4.863 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.981 -5.183 5.879 1.00 0.00 H new ATOM 0 HG SER A 52 -1.226 -4.658 7.416 1.00 0.00 H new ATOM 771 N THR A 53 1.213 -3.819 8.307 1.00 0.00 N ATOM 772 CA THR A 53 2.194 -3.768 9.377 1.00 0.00 C ATOM 773 C THR A 53 3.016 -5.058 9.409 1.00 0.00 C ATOM 774 O THR A 53 2.582 -6.088 8.895 1.00 0.00 O ATOM 775 CB THR A 53 1.453 -3.487 10.685 1.00 0.00 C ATOM 776 OG1 THR A 53 0.452 -4.500 10.742 1.00 0.00 O ATOM 777 CG2 THR A 53 0.658 -2.181 10.639 1.00 0.00 C ATOM 0 H THR A 53 0.464 -4.497 8.448 1.00 0.00 H new ATOM 0 HA THR A 53 2.914 -2.965 9.216 1.00 0.00 H new ATOM 0 HB THR A 53 2.169 -3.448 11.506 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.075 -4.393 11.561 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.151 -2.030 11.592 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.336 -1.348 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.081 -2.233 9.840 1.00 0.00 H new ATOM 785 N LYS A 54 4.189 -4.960 10.018 1.00 0.00 N ATOM 786 CA LYS A 54 5.075 -6.106 10.124 1.00 0.00 C ATOM 787 C LYS A 54 4.269 -7.330 10.564 1.00 0.00 C ATOM 788 O LYS A 54 4.271 -8.356 9.884 1.00 0.00 O ATOM 789 CB LYS A 54 6.257 -5.787 11.042 1.00 0.00 C ATOM 790 CG LYS A 54 6.939 -7.068 11.524 1.00 0.00 C ATOM 791 CD LYS A 54 8.443 -6.854 11.706 1.00 0.00 C ATOM 792 CE LYS A 54 9.211 -7.247 10.443 1.00 0.00 C ATOM 793 NZ LYS A 54 10.644 -6.902 10.578 1.00 0.00 N ATOM 0 H LYS A 54 4.546 -4.104 10.443 1.00 0.00 H new ATOM 0 HA LYS A 54 5.510 -6.342 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.977 -5.165 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.910 -5.211 11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.497 -7.387 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.766 -7.869 10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.639 -5.808 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.798 -7.445 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.104 -8.317 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.788 -6.735 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.150 -7.176 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.742 -5.877 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.048 -7.410 11.390 1.00 0.00 H new ATOM 807 N LYS A 55 3.600 -7.182 11.697 1.00 0.00 N ATOM 808 CA LYS A 55 2.791 -8.263 12.235 1.00 0.00 C ATOM 809 C LYS A 55 2.027 -8.939 11.095 1.00 0.00 C ATOM 810 O LYS A 55 2.307 -10.086 10.750 1.00 0.00 O ATOM 811 CB LYS A 55 1.889 -7.749 13.359 1.00 0.00 C ATOM 812 CG LYS A 55 2.562 -7.919 14.723 1.00 0.00 C ATOM 813 CD LYS A 55 3.009 -6.568 15.286 1.00 0.00 C ATOM 814 CE LYS A 55 4.121 -6.747 16.322 1.00 0.00 C ATOM 815 NZ LYS A 55 3.913 -5.834 17.468 1.00 0.00 N ATOM 0 H LYS A 55 3.601 -6.330 12.258 1.00 0.00 H new ATOM 0 HA LYS A 55 3.426 -9.024 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.658 -6.697 13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.942 -8.289 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.870 -8.395 15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.423 -8.580 14.628 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.362 -5.931 14.475 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.159 -6.061 15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.139 -7.780 16.671 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.089 -6.549 15.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.676 -5.968 18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.919 -4.849 17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.998 -6.042 17.916 1.00 0.00 H new ATOM 829 N GLU A 56 1.078 -8.199 10.541 1.00 0.00 N ATOM 830 CA GLU A 56 0.272 -8.713 9.447 1.00 0.00 C ATOM 831 C GLU A 56 1.131 -9.561 8.507 1.00 0.00 C ATOM 832 O GLU A 56 0.911 -10.764 8.376 1.00 0.00 O ATOM 833 CB GLU A 56 -0.411 -7.574 8.687 1.00 0.00 C ATOM 834 CG GLU A 56 -1.934 -7.692 8.774 1.00 0.00 C ATOM 835 CD GLU A 56 -2.425 -8.968 8.088 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.871 -9.283 7.013 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.344 -9.599 8.654 1.00 0.00 O ATOM 0 H GLU A 56 0.849 -7.248 10.829 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.510 -9.348 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.093 -6.616 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.100 -7.592 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.243 -7.695 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.397 -6.823 8.307 1.00 0.00 H new ATOM 844 N VAL A 57 2.092 -8.901 7.878 1.00 0.00 N ATOM 845 CA VAL A 57 2.985 -9.579 6.954 1.00 0.00 C ATOM 846 C VAL A 57 3.529 -10.847 7.616 1.00 0.00 C ATOM 847 O VAL A 57 3.640 -11.889 6.971 1.00 0.00 O ATOM 848 CB VAL A 57 4.089 -8.623 6.496 1.00 0.00 C ATOM 849 CG1 VAL A 57 4.940 -9.257 5.395 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.501 -7.288 6.036 1.00 0.00 C ATOM 0 H VAL A 57 2.272 -7.903 7.990 1.00 0.00 H new ATOM 0 HA VAL A 57 2.446 -9.885 6.057 1.00 0.00 H new ATOM 0 HB VAL A 57 4.738 -8.426 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.717 -8.557 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.402 -10.169 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.308 -9.497 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.306 -6.627 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.819 -7.459 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.958 -6.826 6.861 1.00 0.00 H new ATOM 860 N GLU A 58 3.852 -10.717 8.894 1.00 0.00 N ATOM 861 CA GLU A 58 4.382 -11.839 9.650 1.00 0.00 C ATOM 862 C GLU A 58 3.295 -12.895 9.863 1.00 0.00 C ATOM 863 O GLU A 58 3.597 -14.072 10.054 1.00 0.00 O ATOM 864 CB GLU A 58 4.964 -11.375 10.986 1.00 0.00 C ATOM 865 CG GLU A 58 6.430 -10.963 10.832 1.00 0.00 C ATOM 866 CD GLU A 58 7.222 -11.269 12.105 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.245 -10.382 12.985 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.787 -12.382 12.168 1.00 0.00 O ATOM 0 H GLU A 58 3.757 -9.852 9.425 1.00 0.00 H new ATOM 0 HA GLU A 58 5.192 -12.289 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.384 -10.534 11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.883 -12.177 11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.873 -11.491 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.491 -9.898 10.609 1.00 0.00 H new ATOM 875 N LYS A 59 2.053 -12.436 9.824 1.00 0.00 N ATOM 876 CA LYS A 59 0.920 -13.326 10.011 1.00 0.00 C ATOM 877 C LYS A 59 0.658 -14.091 8.712 1.00 0.00 C ATOM 878 O LYS A 59 0.222 -15.241 8.742 1.00 0.00 O ATOM 879 CB LYS A 59 -0.295 -12.548 10.522 1.00 0.00 C ATOM 880 CG LYS A 59 0.069 -11.707 11.748 1.00 0.00 C ATOM 881 CD LYS A 59 -0.583 -12.270 13.012 1.00 0.00 C ATOM 882 CE LYS A 59 -0.523 -11.257 14.157 1.00 0.00 C ATOM 883 NZ LYS A 59 0.179 -11.836 15.325 1.00 0.00 N ATOM 0 H LYS A 59 1.806 -11.459 9.666 1.00 0.00 H new ATOM 0 HA LYS A 59 1.141 -14.067 10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.675 -11.900 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.095 -13.243 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.152 -11.687 11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.254 -10.677 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.621 -12.530 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.077 -13.189 13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.008 -10.355 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.533 -10.961 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.211 -11.136 16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.329 -12.683 15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.149 -12.096 15.053 1.00 0.00 H new ATOM 897 N MET A 60 0.934 -13.421 7.603 1.00 0.00 N ATOM 898 CA MET A 60 0.734 -14.023 6.296 1.00 0.00 C ATOM 899 C MET A 60 -0.707 -14.512 6.132 1.00 0.00 C ATOM 900 O MET A 60 -0.951 -15.527 5.482 1.00 0.00 O ATOM 901 CB MET A 60 1.696 -15.201 6.123 1.00 0.00 C ATOM 902 CG MET A 60 3.016 -14.743 5.501 1.00 0.00 C ATOM 903 SD MET A 60 2.885 -14.742 3.721 1.00 0.00 S ATOM 904 CE MET A 60 2.352 -13.060 3.450 1.00 0.00 C ATOM 0 H MET A 60 1.294 -12.467 7.583 1.00 0.00 H new ATOM 0 HA MET A 60 0.930 -13.268 5.535 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.887 -15.664 7.091 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.236 -15.961 5.491 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.267 -13.743 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.824 -15.405 5.814 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.606 -12.757 2.434 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.273 -12.993 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.851 -12.401 4.160 1.00 0.00 H new ATOM 914 N ASN A 61 -1.622 -13.767 6.733 1.00 0.00 N ATOM 915 CA ASN A 61 -3.032 -14.112 6.662 1.00 0.00 C ATOM 916 C ASN A 61 -3.457 -14.205 5.196 1.00 0.00 C ATOM 917 O ASN A 61 -2.677 -13.888 4.299 1.00 0.00 O ATOM 918 CB ASN A 61 -3.895 -13.044 7.338 1.00 0.00 C ATOM 919 CG ASN A 61 -5.210 -13.641 7.844 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.224 -13.638 7.166 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.136 -14.151 9.069 1.00 0.00 N ATOM 0 H ASN A 61 -1.415 -12.926 7.271 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.172 -15.065 7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.348 -12.603 8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.104 -12.240 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.960 -14.573 9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.255 -14.120 9.582 1.00 0.00 H new ATOM 928 N LYS A 62 -4.693 -14.640 4.997 1.00 0.00 N ATOM 929 CA LYS A 62 -5.230 -14.778 3.654 1.00 0.00 C ATOM 930 C LYS A 62 -5.092 -13.446 2.914 1.00 0.00 C ATOM 931 O LYS A 62 -4.677 -13.415 1.756 1.00 0.00 O ATOM 932 CB LYS A 62 -6.665 -15.308 3.703 1.00 0.00 C ATOM 933 CG LYS A 62 -6.685 -16.838 3.708 1.00 0.00 C ATOM 934 CD LYS A 62 -6.633 -17.382 5.137 1.00 0.00 C ATOM 935 CE LYS A 62 -5.230 -17.886 5.481 1.00 0.00 C ATOM 936 NZ LYS A 62 -5.170 -19.361 5.385 1.00 0.00 N ATOM 0 H LYS A 62 -5.337 -14.901 5.743 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.660 -15.517 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.165 -14.931 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.223 -14.936 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.587 -17.195 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.837 -17.218 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.925 -16.600 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.352 -18.194 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.501 -17.442 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.961 -17.570 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.211 -19.686 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.851 -19.780 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.406 -19.656 4.416 1.00 0.00 H new ATOM 950 N LYS A 63 -5.446 -12.378 3.613 1.00 0.00 N ATOM 951 CA LYS A 63 -5.367 -11.046 3.037 1.00 0.00 C ATOM 952 C LYS A 63 -3.951 -10.808 2.509 1.00 0.00 C ATOM 953 O LYS A 63 -3.770 -10.448 1.347 1.00 0.00 O ATOM 954 CB LYS A 63 -5.831 -9.996 4.048 1.00 0.00 C ATOM 955 CG LYS A 63 -7.351 -9.826 4.002 1.00 0.00 C ATOM 956 CD LYS A 63 -7.740 -8.601 3.172 1.00 0.00 C ATOM 957 CE LYS A 63 -8.989 -7.926 3.743 1.00 0.00 C ATOM 958 NZ LYS A 63 -8.958 -6.470 3.479 1.00 0.00 N ATOM 0 H LYS A 63 -5.788 -12.408 4.573 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.044 -10.957 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.525 -10.292 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.348 -9.042 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.808 -10.719 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.740 -9.722 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.913 -7.891 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.923 -8.900 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.882 -8.363 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.048 -8.106 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.813 -6.027 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.116 -6.054 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.924 -6.304 2.453 1.00 0.00 H new ATOM 972 N MET A 64 -2.982 -11.018 3.389 1.00 0.00 N ATOM 973 CA MET A 64 -1.588 -10.830 3.026 1.00 0.00 C ATOM 974 C MET A 64 -1.158 -11.838 1.959 1.00 0.00 C ATOM 975 O MET A 64 -0.155 -11.636 1.276 1.00 0.00 O ATOM 976 CB MET A 64 -0.710 -10.996 4.268 1.00 0.00 C ATOM 977 CG MET A 64 0.737 -10.595 3.975 1.00 0.00 C ATOM 978 SD MET A 64 0.860 -8.821 3.823 1.00 0.00 S ATOM 979 CE MET A 64 0.139 -8.326 5.380 1.00 0.00 C ATOM 0 H MET A 64 -3.135 -11.316 4.352 1.00 0.00 H new ATOM 0 HA MET A 64 -1.471 -9.826 2.618 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.103 -10.384 5.080 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.743 -12.032 4.605 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.389 -10.946 4.775 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.076 -11.071 3.055 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.689 -7.475 5.782 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.903 -8.044 5.225 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.190 -9.156 6.085 1.00 0.00 H new ATOM 989 N GLU A 65 -1.939 -12.903 1.848 1.00 0.00 N ATOM 990 CA GLU A 65 -1.652 -13.943 0.875 1.00 0.00 C ATOM 991 C GLU A 65 -2.111 -13.509 -0.518 1.00 0.00 C ATOM 992 O GLU A 65 -1.519 -13.902 -1.522 1.00 0.00 O ATOM 993 CB GLU A 65 -2.304 -15.267 1.279 1.00 0.00 C ATOM 994 CG GLU A 65 -1.394 -16.063 2.216 1.00 0.00 C ATOM 995 CD GLU A 65 -0.990 -17.397 1.585 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.805 -17.407 0.349 1.00 0.00 O ATOM 997 OE2 GLU A 65 -0.874 -18.376 2.353 1.00 0.00 O ATOM 0 H GLU A 65 -2.770 -13.068 2.416 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.574 -14.100 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.257 -15.072 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.520 -15.857 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.502 -15.480 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.907 -16.244 3.160 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.163 -12.702 -0.535 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.708 -12.210 -1.789 1.00 0.00 C ATOM 1006 C GLU A 66 -2.732 -11.231 -2.445 1.00 0.00 C ATOM 1007 O GLU A 66 -2.767 -11.034 -3.658 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.075 -11.558 -1.573 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.102 -12.585 -1.089 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.167 -12.840 -2.157 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.916 -13.717 -3.011 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.209 -12.152 -2.095 1.00 0.00 O ATOM 0 H GLU A 66 -3.652 -12.377 0.299 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.847 -13.058 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.987 -10.754 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.418 -11.106 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.598 -13.520 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.576 -12.227 -0.175 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.883 -10.645 -1.613 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.899 -9.692 -2.097 1.00 0.00 C ATOM 1021 C VAL A 67 0.410 -10.425 -2.396 1.00 0.00 C ATOM 1022 O VAL A 67 1.205 -9.973 -3.219 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.730 -8.555 -1.086 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.487 -8.857 0.209 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.750 -8.285 -0.807 1.00 0.00 C ATOM 0 H VAL A 67 -1.856 -10.812 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.236 -9.235 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.158 -7.652 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.351 -8.034 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.548 -8.976 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.102 -9.777 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.842 -7.473 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.214 -9.184 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.250 -8.005 -1.734 1.00 0.00 H new ATOM 1035 N LYS A 68 0.594 -11.545 -1.711 1.00 0.00 N ATOM 1036 CA LYS A 68 1.794 -12.345 -1.893 1.00 0.00 C ATOM 1037 C LYS A 68 1.728 -13.053 -3.248 1.00 0.00 C ATOM 1038 O LYS A 68 2.751 -13.489 -3.774 1.00 0.00 O ATOM 1039 CB LYS A 68 1.988 -13.296 -0.711 1.00 0.00 C ATOM 1040 CG LYS A 68 3.331 -14.022 -0.806 1.00 0.00 C ATOM 1041 CD LYS A 68 3.894 -14.320 0.586 1.00 0.00 C ATOM 1042 CE LYS A 68 5.229 -15.060 0.490 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.028 -16.424 -0.049 1.00 0.00 N ATOM 0 H LYS A 68 -0.067 -11.917 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 68 2.678 -11.708 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.939 -12.736 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.178 -14.025 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.207 -14.953 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.040 -13.411 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.029 -13.388 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.181 -14.921 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.913 -14.506 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.692 -15.116 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.892 -16.985 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.233 -16.879 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.818 -16.368 -1.066 1.00 0.00 H new ATOM 1057 N GLU A 69 0.515 -13.146 -3.773 1.00 0.00 N ATOM 1058 CA GLU A 69 0.303 -13.794 -5.056 1.00 0.00 C ATOM 1059 C GLU A 69 0.507 -12.794 -6.196 1.00 0.00 C ATOM 1060 O GLU A 69 1.156 -13.107 -7.193 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.087 -14.429 -5.126 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.366 -15.276 -3.883 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.658 -16.729 -4.264 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -2.839 -17.011 -4.561 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -0.694 -17.525 -4.250 1.00 0.00 O ATOM 0 H GLU A 69 -0.331 -12.783 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 69 1.037 -14.592 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.843 -13.649 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.162 -15.050 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.508 -15.238 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.215 -14.861 -3.339 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.060 -11.611 -6.011 1.00 0.00 N ATOM 1073 CA ALA A 70 0.052 -10.563 -7.011 1.00 0.00 C ATOM 1074 C ALA A 70 1.371 -9.813 -6.814 1.00 0.00 C ATOM 1075 O ALA A 70 1.619 -8.803 -7.470 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.164 -9.638 -6.919 1.00 0.00 C ATOM 0 H ALA A 70 -0.598 -11.355 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 70 0.063 -10.990 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.080 -8.852 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.073 -10.213 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.206 -9.190 -5.926 1.00 0.00 H new ATOM 1082 N ASN A 71 2.182 -10.337 -5.907 1.00 0.00 N ATOM 1083 CA ASN A 71 3.470 -9.731 -5.615 1.00 0.00 C ATOM 1084 C ASN A 71 3.285 -8.225 -5.411 1.00 0.00 C ATOM 1085 O ASN A 71 3.840 -7.421 -6.159 1.00 0.00 O ATOM 1086 CB ASN A 71 4.450 -9.934 -6.772 1.00 0.00 C ATOM 1087 CG ASN A 71 5.731 -10.617 -6.292 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.944 -10.835 -5.110 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.571 -10.942 -7.271 1.00 0.00 N ATOM 0 H ASN A 71 1.972 -11.175 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 71 3.869 -10.204 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.981 -10.538 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.693 -8.971 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.455 -11.402 -7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.331 -10.731 -8.240 1.00 0.00 H new ATOM 1096 N ILE A 72 2.503 -7.890 -4.396 1.00 0.00 N ATOM 1097 CA ILE A 72 2.238 -6.496 -4.084 1.00 0.00 C ATOM 1098 C ILE A 72 3.040 -6.093 -2.845 1.00 0.00 C ATOM 1099 O ILE A 72 2.559 -6.225 -1.720 1.00 0.00 O ATOM 1100 CB ILE A 72 0.733 -6.253 -3.949 1.00 0.00 C ATOM 1101 CG1 ILE A 72 -0.029 -6.865 -5.126 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.431 -4.763 -3.783 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.538 -6.839 -4.875 1.00 0.00 C ATOM 0 H ILE A 72 2.044 -8.560 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 72 2.569 -5.854 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 72 0.386 -6.754 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.201 -6.315 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.300 -7.892 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.645 -4.618 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.927 -4.389 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.796 -4.219 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.056 -7.280 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.767 -7.410 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.867 -5.808 -4.744 1.00 0.00 H new ATOM 1115 N ARG A 73 4.249 -5.610 -3.092 1.00 0.00 N ATOM 1116 CA ARG A 73 5.121 -5.188 -2.010 1.00 0.00 C ATOM 1117 C ARG A 73 4.306 -4.523 -0.899 1.00 0.00 C ATOM 1118 O ARG A 73 3.508 -3.624 -1.163 1.00 0.00 O ATOM 1119 CB ARG A 73 6.184 -4.208 -2.510 1.00 0.00 C ATOM 1120 CG ARG A 73 5.566 -2.844 -2.827 1.00 0.00 C ATOM 1121 CD ARG A 73 6.569 -1.942 -3.550 1.00 0.00 C ATOM 1122 NE ARG A 73 6.014 -1.510 -4.852 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.115 -2.220 -5.984 1.00 0.00 C ATOM 1124 NH1 ARG A 73 6.749 -3.400 -5.981 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.581 -1.750 -7.120 1.00 0.00 N ATOM 0 H ARG A 73 4.645 -5.502 -4.026 1.00 0.00 H new ATOM 0 HA ARG A 73 5.617 -6.076 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.961 -4.092 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.664 -4.610 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.679 -2.978 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.240 -2.365 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.796 -1.071 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.506 -2.477 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 73 5.524 -0.616 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.155 -3.759 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.826 -3.940 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.098 -0.852 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.658 -2.291 -7.982 1.00 0.00 H new ATOM 1139 N VAL A 74 4.535 -4.989 0.319 1.00 0.00 N ATOM 1140 CA VAL A 74 3.832 -4.451 1.471 1.00 0.00 C ATOM 1141 C VAL A 74 4.745 -3.470 2.208 1.00 0.00 C ATOM 1142 O VAL A 74 5.808 -3.852 2.696 1.00 0.00 O ATOM 1143 CB VAL A 74 3.336 -5.592 2.362 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.259 -5.102 3.332 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.825 -6.763 1.521 1.00 0.00 C ATOM 0 H VAL A 74 5.198 -5.734 0.534 1.00 0.00 H new ATOM 0 HA VAL A 74 2.948 -3.897 1.154 1.00 0.00 H new ATOM 0 HB VAL A 74 4.181 -5.947 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.924 -5.932 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.671 -4.317 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.414 -4.707 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.479 -7.560 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.000 -6.427 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.632 -7.138 0.891 1.00 0.00 H new ATOM 1155 N VAL A 75 4.298 -2.224 2.267 1.00 0.00 N ATOM 1156 CA VAL A 75 5.062 -1.185 2.937 1.00 0.00 C ATOM 1157 C VAL A 75 4.282 -0.691 4.157 1.00 0.00 C ATOM 1158 O VAL A 75 3.125 -1.061 4.350 1.00 0.00 O ATOM 1159 CB VAL A 75 5.401 -0.067 1.950 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.152 -0.616 0.735 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.140 0.687 1.520 1.00 0.00 C ATOM 0 H VAL A 75 3.416 -1.910 1.862 1.00 0.00 H new ATOM 0 HA VAL A 75 6.012 -1.581 3.298 1.00 0.00 H new ATOM 0 HB VAL A 75 6.057 0.640 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.381 0.200 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.080 -1.086 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.531 -1.354 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.410 1.476 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.448 -0.005 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.663 1.127 2.396 1.00 0.00 H new ATOM 1171 N SER A 76 4.947 0.139 4.947 1.00 0.00 N ATOM 1172 CA SER A 76 4.330 0.688 6.143 1.00 0.00 C ATOM 1173 C SER A 76 3.580 1.977 5.800 1.00 0.00 C ATOM 1174 O SER A 76 3.516 2.371 4.636 1.00 0.00 O ATOM 1175 CB SER A 76 5.375 0.956 7.228 1.00 0.00 C ATOM 1176 OG SER A 76 4.785 1.075 8.519 1.00 0.00 O ATOM 0 H SER A 76 5.906 0.445 4.783 1.00 0.00 H new ATOM 0 HA SER A 76 3.622 -0.045 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.105 0.147 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.917 1.872 6.991 1.00 0.00 H new ATOM 0 HG SER A 76 5.485 1.244 9.184 1.00 0.00 H new ATOM 1182 N GLU A 77 3.030 2.597 6.834 1.00 0.00 N ATOM 1183 CA GLU A 77 2.287 3.833 6.656 1.00 0.00 C ATOM 1184 C GLU A 77 3.247 5.002 6.426 1.00 0.00 C ATOM 1185 O GLU A 77 2.931 5.932 5.687 1.00 0.00 O ATOM 1186 CB GLU A 77 1.374 4.100 7.855 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.007 4.574 7.398 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.534 5.685 8.308 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.880 5.356 9.463 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.580 6.838 7.828 1.00 0.00 O ATOM 0 H GLU A 77 3.084 2.267 7.797 1.00 0.00 H new ATOM 0 HA GLU A 77 1.654 3.730 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.272 3.192 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.826 4.853 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.050 4.936 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.703 3.735 7.402 1.00 0.00 H new ATOM 1197 N ASP A 78 4.400 4.915 7.073 1.00 0.00 N ATOM 1198 CA ASP A 78 5.407 5.954 6.949 1.00 0.00 C ATOM 1199 C ASP A 78 5.619 6.278 5.468 1.00 0.00 C ATOM 1200 O ASP A 78 5.956 7.408 5.118 1.00 0.00 O ATOM 1201 CB ASP A 78 6.747 5.495 7.528 1.00 0.00 C ATOM 1202 CG ASP A 78 6.682 4.961 8.961 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.596 5.090 9.566 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.720 4.437 9.418 1.00 0.00 O ATOM 0 H ASP A 78 4.659 4.141 7.685 1.00 0.00 H new ATOM 0 HA ASP A 78 5.058 6.829 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.157 4.717 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.444 6.332 7.499 1.00 0.00 H new ATOM 1209 N PHE A 79 5.414 5.265 4.639 1.00 0.00 N ATOM 1210 CA PHE A 79 5.579 5.428 3.204 1.00 0.00 C ATOM 1211 C PHE A 79 4.712 6.575 2.680 1.00 0.00 C ATOM 1212 O PHE A 79 5.182 7.409 1.907 1.00 0.00 O ATOM 1213 CB PHE A 79 5.124 4.121 2.551 1.00 0.00 C ATOM 1214 CG PHE A 79 4.769 4.257 1.069 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.747 4.487 0.153 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.474 4.149 0.668 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.417 4.613 -1.222 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.143 4.275 -0.707 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.122 4.505 -1.624 1.00 0.00 C ATOM 0 H PHE A 79 5.135 4.329 4.933 1.00 0.00 H new ATOM 0 HA PHE A 79 6.619 5.659 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.915 3.379 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.255 3.741 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.775 4.574 0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.697 3.967 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.195 4.795 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.115 4.188 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.871 4.602 -2.670 1.00 0.00 H new ATOM 1229 N LEU A 80 3.463 6.580 3.120 1.00 0.00 N ATOM 1230 CA LEU A 80 2.527 7.610 2.705 1.00 0.00 C ATOM 1231 C LEU A 80 3.063 8.980 3.126 1.00 0.00 C ATOM 1232 O LEU A 80 2.931 9.956 2.388 1.00 0.00 O ATOM 1233 CB LEU A 80 1.125 7.308 3.239 1.00 0.00 C ATOM 1234 CG LEU A 80 0.371 6.175 2.540 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.752 5.636 3.427 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.145 6.623 1.171 1.00 0.00 C ATOM 0 H LEU A 80 3.077 5.886 3.760 1.00 0.00 H new ATOM 0 HA LEU A 80 2.433 7.623 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.206 7.065 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.526 8.216 3.165 1.00 0.00 H new ATOM 0 HG LEU A 80 1.068 5.355 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.272 4.832 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.330 5.254 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.455 6.438 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.677 5.799 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.822 7.468 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.696 6.921 0.545 1.00 0.00 H new ATOM 1248 N GLN A 81 3.657 9.009 4.310 1.00 0.00 N ATOM 1249 CA GLN A 81 4.214 10.243 4.837 1.00 0.00 C ATOM 1250 C GLN A 81 5.396 10.702 3.980 1.00 0.00 C ATOM 1251 O GLN A 81 5.570 11.896 3.745 1.00 0.00 O ATOM 1252 CB GLN A 81 4.630 10.075 6.300 1.00 0.00 C ATOM 1253 CG GLN A 81 5.654 11.138 6.704 1.00 0.00 C ATOM 1254 CD GLN A 81 5.050 12.541 6.621 1.00 0.00 C ATOM 1255 OE1 GLN A 81 5.780 13.404 5.920 1.00 0.00 O flip ATOM 1256 NE2 GLN A 81 3.991 12.822 7.158 1.00 0.00 N flip ATOM 0 H GLN A 81 3.765 8.198 4.919 1.00 0.00 H new ATOM 0 HA GLN A 81 3.443 11.012 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.752 10.148 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.053 9.082 6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.000 10.947 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.526 11.074 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.480 12.111 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.616 13.768 7.083 1.00 0.00 H new ATOM 1265 N ASP A 82 6.177 9.728 3.537 1.00 0.00 N ATOM 1266 CA ASP A 82 7.337 10.016 2.711 1.00 0.00 C ATOM 1267 C ASP A 82 6.878 10.324 1.284 1.00 0.00 C ATOM 1268 O ASP A 82 7.185 11.386 0.745 1.00 0.00 O ATOM 1269 CB ASP A 82 8.285 8.817 2.655 1.00 0.00 C ATOM 1270 CG ASP A 82 9.546 8.948 3.512 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.385 9.249 4.714 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.641 8.743 2.945 1.00 0.00 O ATOM 0 H ASP A 82 6.029 8.738 3.735 1.00 0.00 H new ATOM 0 HA ASP A 82 7.859 10.867 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.740 7.927 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.583 8.657 1.619 1.00 0.00 H new ATOM 1277 N VAL A 83 6.150 9.375 0.714 1.00 0.00 N ATOM 1278 CA VAL A 83 5.646 9.532 -0.640 1.00 0.00 C ATOM 1279 C VAL A 83 4.962 10.894 -0.771 1.00 0.00 C ATOM 1280 O VAL A 83 4.882 11.450 -1.865 1.00 0.00 O ATOM 1281 CB VAL A 83 4.723 8.363 -0.993 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.276 8.669 -0.601 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.827 8.013 -2.479 1.00 0.00 C ATOM 0 H VAL A 83 5.897 8.495 1.164 1.00 0.00 H new ATOM 0 HA VAL A 83 6.466 9.510 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 83 5.048 7.494 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.641 7.822 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.220 8.846 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.935 9.557 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.162 7.180 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.540 8.878 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.853 7.732 -2.716 1.00 0.00 H new ATOM 1293 N SER A 84 4.486 11.392 0.361 1.00 0.00 N ATOM 1294 CA SER A 84 3.811 12.679 0.387 1.00 0.00 C ATOM 1295 C SER A 84 4.832 13.801 0.587 1.00 0.00 C ATOM 1296 O SER A 84 4.645 14.911 0.090 1.00 0.00 O ATOM 1297 CB SER A 84 2.751 12.723 1.489 1.00 0.00 C ATOM 1298 OG SER A 84 1.877 13.839 1.345 1.00 0.00 O ATOM 0 H SER A 84 4.554 10.928 1.267 1.00 0.00 H new ATOM 0 HA SER A 84 3.307 12.821 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.169 11.802 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.241 12.769 2.462 1.00 0.00 H new ATOM 0 HG SER A 84 2.305 14.519 0.784 1.00 0.00 H new ATOM 1304 N ALA A 85 5.889 13.473 1.316 1.00 0.00 N ATOM 1305 CA ALA A 85 6.939 14.440 1.588 1.00 0.00 C ATOM 1306 C ALA A 85 8.280 13.711 1.701 1.00 0.00 C ATOM 1307 O ALA A 85 8.802 13.532 2.801 1.00 0.00 O ATOM 1308 CB ALA A 85 6.594 15.227 2.853 1.00 0.00 C ATOM 0 H ALA A 85 6.041 12.552 1.726 1.00 0.00 H new ATOM 0 HA ALA A 85 7.021 15.157 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.382 15.952 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.648 15.749 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.506 14.541 3.696 1.00 0.00 H new ATOM 1314 N SER A 86 8.799 13.310 0.550 1.00 0.00 N ATOM 1315 CA SER A 86 10.068 12.605 0.507 1.00 0.00 C ATOM 1316 C SER A 86 10.772 12.876 -0.824 1.00 0.00 C ATOM 1317 O SER A 86 10.120 13.027 -1.856 1.00 0.00 O ATOM 1318 CB SER A 86 9.870 11.101 0.705 1.00 0.00 C ATOM 1319 OG SER A 86 11.108 10.418 0.884 1.00 0.00 O ATOM 0 H SER A 86 8.363 13.460 -0.360 1.00 0.00 H new ATOM 0 HA SER A 86 10.691 12.973 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.233 10.930 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.349 10.687 -0.159 1.00 0.00 H new ATOM 0 HG SER A 86 10.974 9.647 1.474 1.00 0.00 H new ATOM 1325 N THR A 87 12.095 12.930 -0.757 1.00 0.00 N ATOM 1326 CA THR A 87 12.894 13.181 -1.944 1.00 0.00 C ATOM 1327 C THR A 87 13.574 11.892 -2.411 1.00 0.00 C ATOM 1328 O THR A 87 14.747 11.903 -2.781 1.00 0.00 O ATOM 1329 CB THR A 87 13.881 14.305 -1.621 1.00 0.00 C ATOM 1330 OG1 THR A 87 14.358 14.725 -2.896 1.00 0.00 O ATOM 1331 CG2 THR A 87 15.133 13.797 -0.903 1.00 0.00 C ATOM 0 H THR A 87 12.633 12.804 0.101 1.00 0.00 H new ATOM 0 HA THR A 87 12.272 13.505 -2.778 1.00 0.00 H new ATOM 0 HB THR A 87 13.387 15.055 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.706 13.951 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 87 15.800 14.635 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 87 14.847 13.322 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 87 15.646 13.072 -1.535 1.00 0.00 H new ATOM 1339 N LYS A 88 12.807 10.812 -2.379 1.00 0.00 N ATOM 1340 CA LYS A 88 13.320 9.518 -2.795 1.00 0.00 C ATOM 1341 C LYS A 88 12.395 8.925 -3.860 1.00 0.00 C ATOM 1342 O LYS A 88 11.216 9.271 -3.925 1.00 0.00 O ATOM 1343 CB LYS A 88 13.525 8.608 -1.582 1.00 0.00 C ATOM 1344 CG LYS A 88 14.823 8.954 -0.850 1.00 0.00 C ATOM 1345 CD LYS A 88 15.936 7.968 -1.212 1.00 0.00 C ATOM 1346 CE LYS A 88 16.320 7.108 -0.006 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.756 6.752 -0.060 1.00 0.00 N ATOM 0 H LYS A 88 11.834 10.807 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 88 14.303 9.627 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.681 8.709 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.551 7.567 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.131 9.967 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.653 8.937 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.607 7.327 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.810 8.515 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.108 7.649 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.715 6.202 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.000 6.168 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.949 6.218 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.329 7.620 -0.052 1.00 0.00 H new ATOM 1361 N SER A 89 12.963 8.042 -4.667 1.00 0.00 N ATOM 1362 CA SER A 89 12.204 7.397 -5.725 1.00 0.00 C ATOM 1363 C SER A 89 11.186 6.428 -5.122 1.00 0.00 C ATOM 1364 O SER A 89 11.409 5.877 -4.045 1.00 0.00 O ATOM 1365 CB SER A 89 13.129 6.660 -6.696 1.00 0.00 C ATOM 1366 OG SER A 89 14.286 7.427 -7.017 1.00 0.00 O ATOM 0 H SER A 89 13.941 7.758 -4.610 1.00 0.00 H new ATOM 0 HA SER A 89 11.675 8.168 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.434 5.711 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.583 6.427 -7.610 1.00 0.00 H new ATOM 0 HG SER A 89 14.852 6.922 -7.637 1.00 0.00 H new ATOM 1372 N LEU A 90 10.088 6.249 -5.843 1.00 0.00 N ATOM 1373 CA LEU A 90 9.035 5.355 -5.393 1.00 0.00 C ATOM 1374 C LEU A 90 9.648 4.012 -4.992 1.00 0.00 C ATOM 1375 O LEU A 90 9.447 3.543 -3.873 1.00 0.00 O ATOM 1376 CB LEU A 90 7.941 5.238 -6.456 1.00 0.00 C ATOM 1377 CG LEU A 90 6.680 6.071 -6.215 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.639 7.287 -7.142 1.00 0.00 C ATOM 1379 CD2 LEU A 90 5.422 5.210 -6.344 1.00 0.00 C ATOM 0 H LEU A 90 9.905 6.708 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 90 8.545 5.759 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.365 5.526 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.651 4.190 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 90 6.710 6.447 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.733 7.861 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.511 7.914 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.644 6.954 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.540 5.826 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.374 4.785 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.455 4.405 -5.609 1.00 0.00 H new ATOM 1391 N GLN A 91 10.383 3.430 -5.928 1.00 0.00 N ATOM 1392 CA GLN A 91 11.027 2.150 -5.686 1.00 0.00 C ATOM 1393 C GLN A 91 11.822 2.194 -4.380 1.00 0.00 C ATOM 1394 O GLN A 91 11.661 1.328 -3.521 1.00 0.00 O ATOM 1395 CB GLN A 91 11.925 1.757 -6.861 1.00 0.00 C ATOM 1396 CG GLN A 91 11.466 0.438 -7.485 1.00 0.00 C ATOM 1397 CD GLN A 91 11.870 -0.752 -6.611 1.00 0.00 C ATOM 1398 OE1 GLN A 91 12.371 -0.603 -5.509 1.00 0.00 O ATOM 1399 NE2 GLN A 91 11.624 -1.936 -7.163 1.00 0.00 N ATOM 0 H GLN A 91 10.547 3.821 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 91 10.253 1.388 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.909 2.545 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.956 1.663 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.384 0.449 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.903 0.330 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.202 -1.989 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.857 -2.792 -6.659 1.00 0.00 H new ATOM 1408 N GLU A 92 12.663 3.212 -4.270 1.00 0.00 N ATOM 1409 CA GLU A 92 13.484 3.380 -3.083 1.00 0.00 C ATOM 1410 C GLU A 92 12.599 3.518 -1.842 1.00 0.00 C ATOM 1411 O GLU A 92 12.867 2.899 -0.813 1.00 0.00 O ATOM 1412 CB GLU A 92 14.417 4.584 -3.227 1.00 0.00 C ATOM 1413 CG GLU A 92 15.333 4.425 -4.442 1.00 0.00 C ATOM 1414 CD GLU A 92 16.798 4.320 -4.014 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.032 3.747 -2.928 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.651 4.815 -4.782 1.00 0.00 O ATOM 0 H GLU A 92 12.794 3.929 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 92 14.106 2.492 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.828 5.495 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.019 4.692 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.049 3.534 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.206 5.276 -5.111 1.00 0.00 H new ATOM 1423 N LEU A 93 11.564 4.333 -1.980 1.00 0.00 N ATOM 1424 CA LEU A 93 10.639 4.559 -0.883 1.00 0.00 C ATOM 1425 C LEU A 93 10.113 3.214 -0.378 1.00 0.00 C ATOM 1426 O LEU A 93 10.115 2.954 0.824 1.00 0.00 O ATOM 1427 CB LEU A 93 9.535 5.531 -1.304 1.00 0.00 C ATOM 1428 CG LEU A 93 9.958 6.990 -1.484 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.766 7.862 -1.883 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.658 7.516 -0.229 1.00 0.00 C ATOM 0 H LEU A 93 11.346 4.845 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 93 11.151 5.036 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.107 5.179 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.741 5.493 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 93 10.679 7.038 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.095 8.894 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.350 7.501 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.003 7.813 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.949 8.555 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.978 7.451 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.546 6.917 -0.030 1.00 0.00 H new ATOM 1442 N PHE A 94 9.676 2.393 -1.322 1.00 0.00 N ATOM 1443 CA PHE A 94 9.149 1.081 -0.988 1.00 0.00 C ATOM 1444 C PHE A 94 10.149 0.287 -0.146 1.00 0.00 C ATOM 1445 O PHE A 94 9.813 -0.190 0.937 1.00 0.00 O ATOM 1446 CB PHE A 94 8.915 0.344 -2.309 1.00 0.00 C ATOM 1447 CG PHE A 94 7.907 1.030 -3.233 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.946 1.839 -2.711 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.972 0.831 -4.577 1.00 0.00 C ATOM 1450 CE1 PHE A 94 6.010 2.475 -3.569 1.00 0.00 C ATOM 1451 CE2 PHE A 94 7.036 1.468 -5.435 1.00 0.00 C ATOM 1452 CZ PHE A 94 6.075 2.276 -4.913 1.00 0.00 C ATOM 0 H PHE A 94 9.676 2.611 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 94 8.230 1.185 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.866 0.248 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.566 -0.666 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.895 1.998 -1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.735 0.189 -4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.247 3.117 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.088 1.310 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.363 2.760 -5.566 1.00 0.00 H new ATOM 1462 N LEU A 95 11.358 0.169 -0.675 1.00 0.00 N ATOM 1463 CA LEU A 95 12.409 -0.560 0.015 1.00 0.00 C ATOM 1464 C LEU A 95 12.760 0.168 1.314 1.00 0.00 C ATOM 1465 O LEU A 95 13.192 -0.456 2.282 1.00 0.00 O ATOM 1466 CB LEU A 95 13.608 -0.776 -0.911 1.00 0.00 C ATOM 1467 CG LEU A 95 13.587 -2.058 -1.747 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.167 -1.813 -3.141 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.303 -3.198 -1.020 1.00 0.00 C ATOM 0 H LEU A 95 11.633 0.566 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 95 12.064 -1.557 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.677 0.075 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.514 -0.775 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 95 12.549 -2.363 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.140 -2.740 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.576 -1.053 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.198 -1.472 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.274 -4.097 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.340 -2.918 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.806 -3.392 -0.070 1.00 0.00 H new ATOM 1481 N ALA A 96 12.560 1.477 1.294 1.00 0.00 N ATOM 1482 CA ALA A 96 12.849 2.297 2.459 1.00 0.00 C ATOM 1483 C ALA A 96 11.732 2.123 3.490 1.00 0.00 C ATOM 1484 O ALA A 96 11.830 2.627 4.607 1.00 0.00 O ATOM 1485 CB ALA A 96 13.023 3.754 2.027 1.00 0.00 C ATOM 0 H ALA A 96 12.201 1.991 0.489 1.00 0.00 H new ATOM 0 HA ALA A 96 13.781 1.983 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.240 4.369 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.848 3.827 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.106 4.105 1.554 1.00 0.00 H new ATOM 1491 N HIS A 97 10.695 1.409 3.077 1.00 0.00 N ATOM 1492 CA HIS A 97 9.561 1.162 3.950 1.00 0.00 C ATOM 1493 C HIS A 97 8.902 -0.167 3.574 1.00 0.00 C ATOM 1494 O HIS A 97 7.679 -0.291 3.613 1.00 0.00 O ATOM 1495 CB HIS A 97 8.583 2.339 3.916 1.00 0.00 C ATOM 1496 CG HIS A 97 9.190 3.654 4.343 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.339 4.015 5.671 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.683 4.689 3.605 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.897 5.215 5.718 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.110 5.632 4.437 1.00 0.00 N ATOM 0 H HIS A 97 10.617 0.994 2.149 1.00 0.00 H new ATOM 0 HA HIS A 97 9.904 1.078 4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.191 2.443 2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.736 2.114 4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.720 4.734 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.141 5.767 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.528 6.521 4.163 1.00 0.00 H new ATOM 1508 N ILE A 98 9.743 -1.127 3.219 1.00 0.00 N ATOM 1509 CA ILE A 98 9.258 -2.442 2.836 1.00 0.00 C ATOM 1510 C ILE A 98 9.115 -3.312 4.086 1.00 0.00 C ATOM 1511 O ILE A 98 10.086 -3.530 4.809 1.00 0.00 O ATOM 1512 CB ILE A 98 10.160 -3.054 1.761 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.498 -4.275 1.121 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.543 -3.382 2.327 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.113 -3.992 -0.333 1.00 0.00 C ATOM 0 H ILE A 98 10.757 -1.021 3.189 1.00 0.00 H new ATOM 0 HA ILE A 98 8.269 -2.366 2.385 1.00 0.00 H new ATOM 0 HB ILE A 98 10.302 -2.315 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.179 -5.125 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.610 -4.551 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.164 -3.815 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.010 -2.470 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.442 -4.095 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.644 -4.877 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.413 -3.157 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.007 -3.740 -0.904 1.00 0.00 H new ATOM 1527 N LEU A 99 7.897 -3.785 4.303 1.00 0.00 N ATOM 1528 CA LEU A 99 7.614 -4.626 5.454 1.00 0.00 C ATOM 1529 C LEU A 99 7.681 -6.096 5.034 1.00 0.00 C ATOM 1530 O LEU A 99 7.888 -6.975 5.870 1.00 0.00 O ATOM 1531 CB LEU A 99 6.282 -4.230 6.093 1.00 0.00 C ATOM 1532 CG LEU A 99 6.221 -2.827 6.700 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.910 -2.616 7.462 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.444 -2.556 7.578 1.00 0.00 C ATOM 0 H LEU A 99 7.094 -3.602 3.701 1.00 0.00 H new ATOM 0 HA LEU A 99 8.368 -4.479 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.501 -4.312 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.047 -4.953 6.874 1.00 0.00 H new ATOM 0 HG LEU A 99 6.241 -2.102 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.892 -1.611 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.069 -2.738 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.835 -3.348 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.376 -1.552 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.480 -3.285 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.349 -2.637 6.976 1.00 0.00 H new ATOM 1546 N SER A 100 7.504 -6.318 3.740 1.00 0.00 N ATOM 1547 CA SER A 100 7.542 -7.666 3.200 1.00 0.00 C ATOM 1548 C SER A 100 8.869 -7.902 2.476 1.00 0.00 C ATOM 1549 O SER A 100 9.637 -6.966 2.258 1.00 0.00 O ATOM 1550 CB SER A 100 6.368 -7.912 2.250 1.00 0.00 C ATOM 1551 OG SER A 100 6.801 -8.109 0.907 1.00 0.00 O ATOM 0 H SER A 100 7.334 -5.587 3.050 1.00 0.00 H new ATOM 0 HA SER A 100 7.457 -8.369 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.809 -8.787 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.685 -7.063 2.290 1.00 0.00 H new ATOM 0 HG SER A 100 6.131 -8.634 0.421 1.00 0.00 H new ATOM 1557 N SER A 101 9.098 -9.159 2.123 1.00 0.00 N ATOM 1558 CA SER A 101 10.319 -9.530 1.428 1.00 0.00 C ATOM 1559 C SER A 101 10.024 -9.778 -0.052 1.00 0.00 C ATOM 1560 O SER A 101 10.936 -10.038 -0.835 1.00 0.00 O ATOM 1561 CB SER A 101 10.956 -10.771 2.058 1.00 0.00 C ATOM 1562 OG SER A 101 12.218 -10.481 2.651 1.00 0.00 O ATOM 0 H SER A 101 8.459 -9.933 2.305 1.00 0.00 H new ATOM 0 HA SER A 101 11.027 -8.706 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.285 -11.178 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.082 -11.540 1.296 1.00 0.00 H new ATOM 0 HG SER A 101 12.591 -11.298 3.043 1.00 0.00 H new ATOM 1568 N TRP A 102 8.747 -9.688 -0.391 1.00 0.00 N ATOM 1569 CA TRP A 102 8.320 -9.899 -1.764 1.00 0.00 C ATOM 1570 C TRP A 102 7.920 -8.543 -2.349 1.00 0.00 C ATOM 1571 O TRP A 102 8.263 -7.499 -1.796 1.00 0.00 O ATOM 1572 CB TRP A 102 7.197 -10.936 -1.836 1.00 0.00 C ATOM 1573 CG TRP A 102 5.845 -10.426 -1.333 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.902 -9.771 -2.024 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.321 -10.556 0.005 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.813 -9.471 -1.232 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.075 -9.963 0.040 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.880 -11.155 1.147 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.284 -9.912 1.194 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.077 -11.095 2.292 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.821 -10.502 2.344 1.00 0.00 C ATOM 0 H TRP A 102 7.993 -9.472 0.261 1.00 0.00 H new ATOM 0 HA TRP A 102 9.134 -10.309 -2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.087 -11.267 -2.869 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.485 -11.809 -1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.984 -9.511 -3.069 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.970 -8.978 -1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.853 -11.625 1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.311 -9.442 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.460 -11.541 3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.262 -10.497 3.268 1.00 0.00 H new ATOM 1592 N GLY A 103 7.199 -8.603 -3.459 1.00 0.00 N ATOM 1593 CA GLY A 103 6.748 -7.393 -4.124 1.00 0.00 C ATOM 1594 C GLY A 103 7.738 -6.962 -5.208 1.00 0.00 C ATOM 1595 O GLY A 103 8.320 -5.881 -5.128 1.00 0.00 O ATOM 0 H GLY A 103 6.916 -9.471 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.767 -7.562 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.633 -6.593 -3.393 1.00 0.00 H new ATOM 1599 N ALA A 104 7.899 -7.829 -6.196 1.00 0.00 N ATOM 1600 CA ALA A 104 8.808 -7.552 -7.295 1.00 0.00 C ATOM 1601 C ALA A 104 8.153 -7.973 -8.612 1.00 0.00 C ATOM 1602 O ALA A 104 6.963 -8.282 -8.647 1.00 0.00 O ATOM 1603 CB ALA A 104 10.138 -8.268 -7.050 1.00 0.00 C ATOM 0 H ALA A 104 7.415 -8.725 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 104 9.019 -6.485 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.820 -8.060 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.576 -7.912 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.966 -9.342 -6.983 1.00 0.00 H new ATOM 1609 N GLU A 105 8.959 -7.972 -9.664 1.00 0.00 N ATOM 1610 CA GLU A 105 8.473 -8.350 -10.980 1.00 0.00 C ATOM 1611 C GLU A 105 7.561 -9.573 -10.877 1.00 0.00 C ATOM 1612 O GLU A 105 8.020 -10.669 -10.559 1.00 0.00 O ATOM 1613 CB GLU A 105 9.635 -8.611 -11.940 1.00 0.00 C ATOM 1614 CG GLU A 105 10.275 -7.299 -12.397 1.00 0.00 C ATOM 1615 CD GLU A 105 11.779 -7.470 -12.622 1.00 0.00 C ATOM 1616 OE1 GLU A 105 12.460 -7.842 -11.642 1.00 0.00 O ATOM 1617 OE2 GLU A 105 12.212 -7.227 -13.768 1.00 0.00 O ATOM 0 H GLU A 105 9.946 -7.715 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 105 7.892 -7.521 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.384 -9.233 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.277 -9.166 -12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.802 -6.962 -13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.101 -6.526 -11.649 1.00 0.00 H new ATOM 1624 N VAL A 106 6.285 -9.346 -11.153 1.00 0.00 N ATOM 1625 CA VAL A 106 5.304 -10.416 -11.096 1.00 0.00 C ATOM 1626 C VAL A 106 5.581 -11.416 -12.221 1.00 0.00 C ATOM 1627 O VAL A 106 6.291 -11.102 -13.175 1.00 0.00 O ATOM 1628 CB VAL A 106 3.890 -9.834 -11.148 1.00 0.00 C ATOM 1629 CG1 VAL A 106 3.698 -8.762 -10.073 1.00 0.00 C ATOM 1630 CG2 VAL A 106 3.578 -9.277 -12.539 1.00 0.00 C ATOM 0 H VAL A 106 5.908 -8.436 -11.417 1.00 0.00 H new ATOM 0 HA VAL A 106 5.383 -10.957 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 106 3.187 -10.642 -10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.685 -8.365 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.859 -9.201 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.414 -7.955 -10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.567 -8.869 -12.549 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.290 -8.488 -12.783 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.654 -10.076 -13.276 1.00 0.00 H new ATOM 1640 N LYS A 107 5.005 -12.600 -12.072 1.00 0.00 N ATOM 1641 CA LYS A 107 5.180 -13.648 -13.063 1.00 0.00 C ATOM 1642 C LYS A 107 3.822 -13.998 -13.674 1.00 0.00 C ATOM 1643 O LYS A 107 3.244 -15.036 -13.357 1.00 0.00 O ATOM 1644 CB LYS A 107 5.907 -14.847 -12.452 1.00 0.00 C ATOM 1645 CG LYS A 107 6.101 -15.956 -13.487 1.00 0.00 C ATOM 1646 CD LYS A 107 7.230 -15.608 -14.459 1.00 0.00 C ATOM 1647 CE LYS A 107 6.673 -15.224 -15.832 1.00 0.00 C ATOM 1648 NZ LYS A 107 7.391 -14.049 -16.373 1.00 0.00 N ATOM 0 H LYS A 107 4.416 -12.857 -11.279 1.00 0.00 H new ATOM 0 HA LYS A 107 5.816 -13.300 -13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.876 -14.531 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.337 -15.230 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.328 -16.894 -12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.174 -16.108 -14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.819 -14.783 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.903 -16.460 -14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.771 -16.065 -16.519 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.609 -15.001 -15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.000 -13.802 -17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.276 -13.244 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.402 -14.274 -16.470 1.00 0.00 H new ATOM 1662 N SER A 108 3.353 -13.112 -14.540 1.00 0.00 N ATOM 1663 CA SER A 108 2.073 -13.315 -15.199 1.00 0.00 C ATOM 1664 C SER A 108 1.764 -12.130 -16.117 1.00 0.00 C ATOM 1665 O SER A 108 1.532 -12.311 -17.311 1.00 0.00 O ATOM 1666 CB SER A 108 0.951 -13.501 -14.176 1.00 0.00 C ATOM 1667 OG SER A 108 0.223 -14.706 -14.396 1.00 0.00 O ATOM 0 H SER A 108 3.836 -12.252 -14.801 1.00 0.00 H new ATOM 0 HA SER A 108 2.136 -14.224 -15.798 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.374 -13.511 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.270 -12.651 -14.226 1.00 0.00 H new ATOM 0 HG SER A 108 -0.483 -14.789 -13.722 1.00 0.00 H new ATOM 1673 N GLY A 109 1.771 -10.945 -15.524 1.00 0.00 N ATOM 1674 CA GLY A 109 1.494 -9.732 -16.274 1.00 0.00 C ATOM 1675 C GLY A 109 1.385 -8.524 -15.341 1.00 0.00 C ATOM 1676 O GLY A 109 1.104 -8.676 -14.154 1.00 0.00 O ATOM 0 H GLY A 109 1.964 -10.799 -14.533 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.286 -9.562 -17.004 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.566 -9.850 -16.833 1.00 0.00 H new ATOM 1680 N PRO A 110 1.619 -7.321 -15.930 1.00 0.00 N ATOM 1681 CA PRO A 110 1.550 -6.087 -15.165 1.00 0.00 C ATOM 1682 C PRO A 110 0.098 -5.702 -14.875 1.00 0.00 C ATOM 1683 O PRO A 110 -0.825 -6.427 -15.243 1.00 0.00 O ATOM 1684 CB PRO A 110 2.281 -5.058 -16.011 1.00 0.00 C ATOM 1685 CG PRO A 110 2.326 -5.631 -17.418 1.00 0.00 C ATOM 1686 CD PRO A 110 1.955 -7.103 -17.334 1.00 0.00 C ATOM 0 HA PRO A 110 2.013 -6.175 -14.182 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.761 -4.100 -15.996 1.00 0.00 H new ATOM 0 HB3 PRO A 110 3.286 -4.881 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.632 -5.099 -18.069 1.00 0.00 H new ATOM 0 HG3 PRO A 110 3.321 -5.512 -17.847 1.00 0.00 H new ATOM 0 HD2 PRO A 110 1.112 -7.337 -17.984 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.784 -7.739 -17.646 1.00 0.00 H new ATOM 1694 N SER A 111 -0.058 -4.562 -14.219 1.00 0.00 N ATOM 1695 CA SER A 111 -1.383 -4.071 -13.876 1.00 0.00 C ATOM 1696 C SER A 111 -1.909 -3.164 -14.990 1.00 0.00 C ATOM 1697 O SER A 111 -2.953 -3.440 -15.579 1.00 0.00 O ATOM 1698 CB SER A 111 -1.364 -3.320 -12.544 1.00 0.00 C ATOM 1699 OG SER A 111 -2.677 -3.109 -12.031 1.00 0.00 O ATOM 0 H SER A 111 0.710 -3.964 -13.916 1.00 0.00 H new ATOM 0 HA SER A 111 -2.049 -4.928 -13.769 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.778 -3.884 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.868 -2.359 -12.677 1.00 0.00 H new ATOM 0 HG SER A 111 -2.622 -2.628 -11.179 1.00 0.00 H new ATOM 1705 N SER A 112 -1.162 -2.100 -15.245 1.00 0.00 N ATOM 1706 CA SER A 112 -1.540 -1.150 -16.277 1.00 0.00 C ATOM 1707 C SER A 112 -2.820 -0.417 -15.871 1.00 0.00 C ATOM 1708 O SER A 112 -3.531 -0.856 -14.968 1.00 0.00 O ATOM 1709 CB SER A 112 -1.734 -1.849 -17.625 1.00 0.00 C ATOM 1710 OG SER A 112 -0.618 -2.666 -17.968 1.00 0.00 O ATOM 0 H SER A 112 -0.297 -1.875 -14.754 1.00 0.00 H new ATOM 0 HA SER A 112 -0.733 -0.425 -16.386 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.635 -2.462 -17.589 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.888 -1.101 -18.403 1.00 0.00 H new ATOM 0 HG SER A 112 -0.781 -3.096 -18.833 1.00 0.00 H new ATOM 1716 N GLY A 113 -3.076 0.687 -16.557 1.00 0.00 N ATOM 1717 CA GLY A 113 -4.258 1.485 -16.279 1.00 0.00 C ATOM 1718 C GLY A 113 -4.258 2.772 -17.106 1.00 0.00 C ATOM 1719 O GLY A 113 -3.907 3.838 -16.602 1.00 0.00 O ATOM 0 H GLY A 113 -2.484 1.048 -17.305 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.153 0.905 -16.502 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.294 1.731 -15.218 1.00 0.00 H new TER 1723 GLY A 113