USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 792 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 27 CYS SG : rot 46:sc= -0.564 USER MOD Set 2.2: A 30 CYS SG : rot 180:sc= -0.669 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.357 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.72) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.896! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.2) USER MOD Single : A 40 TYR OH : rot -170:sc= -3.03 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 56 ASN : amide:sc= 0.631 K(o=0.63,f=-1.8) USER MOD Single : A 57 SER OG : rot -99:sc= 0.0335! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= -1.3 (180deg=-5.24!) USER MOD Single : A 71 HIS : no HE2:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -5.26! C(o=-5.3!,f=-3.1!) USER MOD Single : A 75 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.2!) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.563 (180deg=-0.602) USER MOD Single : A 79 MET CE :methyl 179:sc= 0 (180deg=-0.00331) USER MOD Single : A 80 HIS : no HD1:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 83 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.79) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.056 (180deg=-0.198) USER MOD Single : A 90 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.33) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.203 24.049 20.908 1.00 0.00 N ATOM 2 CA GLY A 1 42.129 23.207 21.407 1.00 0.00 C ATOM 3 C GLY A 1 41.386 23.891 22.557 1.00 0.00 C ATOM 4 O GLY A 1 40.997 25.053 22.446 1.00 0.00 O ATOM 0 H1 GLY A 1 43.692 23.563 20.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.808 24.947 20.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 43.879 24.240 21.675 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.431 22.985 20.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 42.536 22.255 21.748 1.00 0.00 H new ATOM 8 N SER A 2 41.210 23.141 23.634 1.00 0.00 N ATOM 9 CA SER A 2 40.521 23.660 24.803 1.00 0.00 C ATOM 10 C SER A 2 39.062 23.965 24.457 1.00 0.00 C ATOM 11 O SER A 2 38.765 24.430 23.358 1.00 0.00 O ATOM 12 CB SER A 2 41.213 24.914 25.339 1.00 0.00 C ATOM 13 OG SER A 2 40.577 25.415 26.512 1.00 0.00 O ATOM 0 H SER A 2 41.533 22.177 23.722 1.00 0.00 H new ATOM 0 HA SER A 2 40.552 22.900 25.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 42.255 24.686 25.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 41.213 25.685 24.569 1.00 0.00 H new ATOM 0 HG SER A 2 41.050 26.215 26.824 1.00 0.00 H new ATOM 19 N SER A 3 38.190 23.692 25.417 1.00 0.00 N ATOM 20 CA SER A 3 36.769 23.931 25.227 1.00 0.00 C ATOM 21 C SER A 3 36.221 22.999 24.146 1.00 0.00 C ATOM 22 O SER A 3 36.684 23.023 23.006 1.00 0.00 O ATOM 23 CB SER A 3 36.502 25.391 24.855 1.00 0.00 C ATOM 24 OG SER A 3 35.122 25.728 24.973 1.00 0.00 O ATOM 0 H SER A 3 38.440 23.308 26.328 1.00 0.00 H new ATOM 0 HA SER A 3 36.258 23.724 26.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 37.091 26.043 25.500 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.833 25.571 23.832 1.00 0.00 H new ATOM 0 HG SER A 3 34.993 26.668 24.729 1.00 0.00 H new ATOM 30 N GLY A 4 35.241 22.199 24.540 1.00 0.00 N ATOM 31 CA GLY A 4 34.625 21.260 23.619 1.00 0.00 C ATOM 32 C GLY A 4 33.874 20.161 24.375 1.00 0.00 C ATOM 33 O GLY A 4 34.339 19.025 24.448 1.00 0.00 O ATOM 0 H GLY A 4 34.858 22.182 25.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.936 21.790 22.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.390 20.812 22.985 1.00 0.00 H new ATOM 37 N SER A 5 32.727 20.539 24.919 1.00 0.00 N ATOM 38 CA SER A 5 31.908 19.601 25.667 1.00 0.00 C ATOM 39 C SER A 5 30.591 20.264 26.075 1.00 0.00 C ATOM 40 O SER A 5 30.556 21.052 27.018 1.00 0.00 O ATOM 41 CB SER A 5 32.649 19.087 26.903 1.00 0.00 C ATOM 42 OG SER A 5 33.152 20.152 27.705 1.00 0.00 O ATOM 0 H SER A 5 32.345 21.483 24.857 1.00 0.00 H new ATOM 0 HA SER A 5 31.693 18.747 25.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.976 18.471 27.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.474 18.447 26.591 1.00 0.00 H new ATOM 0 HG SER A 5 32.474 20.856 27.777 1.00 0.00 H new ATOM 48 N SER A 6 29.541 19.921 25.343 1.00 0.00 N ATOM 49 CA SER A 6 28.226 20.474 25.617 1.00 0.00 C ATOM 50 C SER A 6 27.144 19.457 25.247 1.00 0.00 C ATOM 51 O SER A 6 26.277 19.143 26.061 1.00 0.00 O ATOM 52 CB SER A 6 28.008 21.782 24.855 1.00 0.00 C ATOM 53 OG SER A 6 28.767 21.830 23.650 1.00 0.00 O ATOM 0 H SER A 6 29.575 19.267 24.561 1.00 0.00 H new ATOM 0 HA SER A 6 28.162 20.692 26.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.949 21.893 24.621 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.284 22.623 25.491 1.00 0.00 H new ATOM 0 HG SER A 6 28.599 22.680 23.191 1.00 0.00 H new ATOM 59 N GLY A 7 27.229 18.971 24.017 1.00 0.00 N ATOM 60 CA GLY A 7 26.268 17.997 23.529 1.00 0.00 C ATOM 61 C GLY A 7 24.868 18.607 23.435 1.00 0.00 C ATOM 62 O GLY A 7 24.625 19.695 23.955 1.00 0.00 O ATOM 0 H GLY A 7 27.949 19.234 23.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.577 17.635 22.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.249 17.135 24.195 1.00 0.00 H new ATOM 66 N ASN A 8 23.984 17.880 22.769 1.00 0.00 N ATOM 67 CA ASN A 8 22.615 18.336 22.600 1.00 0.00 C ATOM 68 C ASN A 8 21.656 17.194 22.944 1.00 0.00 C ATOM 69 O ASN A 8 22.090 16.103 23.310 1.00 0.00 O ATOM 70 CB ASN A 8 22.349 18.758 21.154 1.00 0.00 C ATOM 71 CG ASN A 8 21.250 19.820 21.086 1.00 0.00 C ATOM 72 OD1 ASN A 8 21.440 20.971 21.444 1.00 0.00 O ATOM 73 ND2 ASN A 8 20.093 19.371 20.608 1.00 0.00 N ATOM 0 H ASN A 8 24.189 16.978 22.340 1.00 0.00 H new ATOM 0 HA ASN A 8 22.460 19.191 23.259 1.00 0.00 H new ATOM 0 HB2 ASN A 8 23.265 19.149 20.711 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.056 17.888 20.566 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.297 20.003 20.523 1.00 0.00 H new ATOM 0 HD22 ASN A 8 20.002 18.395 20.326 1.00 0.00 H new ATOM 80 N LEU A 9 20.370 17.485 22.813 1.00 0.00 N ATOM 81 CA LEU A 9 19.346 16.496 23.105 1.00 0.00 C ATOM 82 C LEU A 9 18.040 16.903 22.420 1.00 0.00 C ATOM 83 O LEU A 9 17.785 18.089 22.216 1.00 0.00 O ATOM 84 CB LEU A 9 19.211 16.294 24.616 1.00 0.00 C ATOM 85 CG LEU A 9 18.380 17.341 25.361 1.00 0.00 C ATOM 86 CD1 LEU A 9 18.910 18.752 25.096 1.00 0.00 C ATOM 87 CD2 LEU A 9 16.895 17.212 25.012 1.00 0.00 C ATOM 0 H LEU A 9 20.014 18.391 22.509 1.00 0.00 H new ATOM 0 HA LEU A 9 19.629 15.524 22.701 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.768 15.314 24.793 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.210 16.276 25.051 1.00 0.00 H new ATOM 0 HG LEU A 9 18.477 17.156 26.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.302 19.477 25.637 1.00 0.00 H new ATOM 0 HD12 LEU A 9 19.944 18.822 25.434 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.862 18.964 24.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.327 17.967 25.555 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.759 17.356 23.940 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.540 16.220 25.292 1.00 0.00 H new ATOM 99 N SER A 10 17.246 15.897 22.084 1.00 0.00 N ATOM 100 CA SER A 10 15.972 16.136 21.426 1.00 0.00 C ATOM 101 C SER A 10 14.948 15.091 21.874 1.00 0.00 C ATOM 102 O SER A 10 15.311 14.072 22.461 1.00 0.00 O ATOM 103 CB SER A 10 16.126 16.110 19.904 1.00 0.00 C ATOM 104 OG SER A 10 16.133 14.781 19.390 1.00 0.00 O ATOM 0 H SER A 10 17.460 14.914 22.255 1.00 0.00 H new ATOM 0 HA SER A 10 15.619 17.127 21.712 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.310 16.671 19.448 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.053 16.611 19.625 1.00 0.00 H new ATOM 0 HG SER A 10 16.231 14.808 18.415 1.00 0.00 H new ATOM 110 N ALA A 11 13.689 15.380 21.581 1.00 0.00 N ATOM 111 CA ALA A 11 12.610 14.478 21.946 1.00 0.00 C ATOM 112 C ALA A 11 12.622 13.269 21.009 1.00 0.00 C ATOM 113 O ALA A 11 13.373 13.241 20.036 1.00 0.00 O ATOM 114 CB ALA A 11 11.279 15.232 21.907 1.00 0.00 C ATOM 0 H ALA A 11 13.392 16.226 21.095 1.00 0.00 H new ATOM 0 HA ALA A 11 12.746 14.109 22.962 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.469 14.555 22.181 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.311 16.063 22.611 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.107 15.615 20.901 1.00 0.00 H new ATOM 120 N SER A 12 11.782 12.298 21.337 1.00 0.00 N ATOM 121 CA SER A 12 11.687 11.089 20.536 1.00 0.00 C ATOM 122 C SER A 12 10.218 10.730 20.303 1.00 0.00 C ATOM 123 O SER A 12 9.457 10.563 21.256 1.00 0.00 O ATOM 124 CB SER A 12 12.418 9.925 21.208 1.00 0.00 C ATOM 125 OG SER A 12 13.736 10.284 21.612 1.00 0.00 O ATOM 0 H SER A 12 11.161 12.324 22.146 1.00 0.00 H new ATOM 0 HA SER A 12 12.165 11.277 19.575 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.850 9.594 22.077 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.467 9.082 20.519 1.00 0.00 H new ATOM 0 HG SER A 12 14.169 9.515 22.038 1.00 0.00 H new ATOM 131 N ASN A 13 9.863 10.621 19.031 1.00 0.00 N ATOM 132 CA ASN A 13 8.499 10.285 18.661 1.00 0.00 C ATOM 133 C ASN A 13 8.391 10.216 17.137 1.00 0.00 C ATOM 134 O ASN A 13 8.866 11.109 16.436 1.00 0.00 O ATOM 135 CB ASN A 13 7.516 11.347 19.157 1.00 0.00 C ATOM 136 CG ASN A 13 6.445 10.726 20.057 1.00 0.00 C ATOM 137 OD1 ASN A 13 6.657 9.720 20.714 1.00 0.00 O ATOM 138 ND2 ASN A 13 5.287 11.379 20.049 1.00 0.00 N ATOM 0 H ASN A 13 10.497 10.760 18.244 1.00 0.00 H new ATOM 0 HA ASN A 13 8.253 9.326 19.116 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.055 12.118 19.707 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.042 11.835 18.305 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.508 11.044 20.616 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.177 12.215 19.476 1.00 0.00 H new ATOM 145 N ARG A 14 7.764 9.147 16.667 1.00 0.00 N ATOM 146 CA ARG A 14 7.588 8.950 15.238 1.00 0.00 C ATOM 147 C ARG A 14 6.552 7.855 14.977 1.00 0.00 C ATOM 148 O ARG A 14 6.286 7.027 15.847 1.00 0.00 O ATOM 149 CB ARG A 14 8.908 8.564 14.569 1.00 0.00 C ATOM 150 CG ARG A 14 9.247 9.526 13.429 1.00 0.00 C ATOM 151 CD ARG A 14 10.549 9.120 12.737 1.00 0.00 C ATOM 152 NE ARG A 14 10.379 9.170 11.267 1.00 0.00 N ATOM 153 CZ ARG A 14 11.318 8.793 10.389 1.00 0.00 C ATOM 154 NH1 ARG A 14 12.499 8.335 10.826 1.00 0.00 N ATOM 155 NH2 ARG A 14 11.075 8.873 9.073 1.00 0.00 N ATOM 0 H ARG A 14 7.372 8.408 17.251 1.00 0.00 H new ATOM 0 HA ARG A 14 7.241 9.892 14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.710 8.572 15.307 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.840 7.547 14.183 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.434 9.537 12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.339 10.540 13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.355 9.788 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.835 8.114 13.044 1.00 0.00 H new ATOM 0 HE ARG A 14 9.491 9.513 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.683 8.273 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.214 8.048 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.176 9.221 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.790 8.586 8.404 1.00 0.00 H new ATOM 169 N ALA A 15 5.995 7.886 13.776 1.00 0.00 N ATOM 170 CA ALA A 15 4.994 6.906 13.389 1.00 0.00 C ATOM 171 C ALA A 15 4.836 6.918 11.867 1.00 0.00 C ATOM 172 O ALA A 15 4.851 7.980 11.246 1.00 0.00 O ATOM 173 CB ALA A 15 3.680 7.205 14.114 1.00 0.00 C ATOM 0 H ALA A 15 6.218 8.575 13.057 1.00 0.00 H new ATOM 0 HA ALA A 15 5.306 5.903 13.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.929 6.470 13.824 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.839 7.155 15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.334 8.203 13.844 1.00 0.00 H new ATOM 179 N LEU A 16 4.687 5.725 11.311 1.00 0.00 N ATOM 180 CA LEU A 16 4.526 5.585 9.873 1.00 0.00 C ATOM 181 C LEU A 16 3.067 5.251 9.558 1.00 0.00 C ATOM 182 O LEU A 16 2.344 4.742 10.413 1.00 0.00 O ATOM 183 CB LEU A 16 5.523 4.565 9.319 1.00 0.00 C ATOM 184 CG LEU A 16 6.998 4.832 9.630 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.871 3.651 9.201 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.462 6.147 9.000 1.00 0.00 C ATOM 0 H LEU A 16 4.674 4.847 11.829 1.00 0.00 H new ATOM 0 HA LEU A 16 4.754 6.525 9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.262 3.582 9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.403 4.520 8.237 1.00 0.00 H new ATOM 0 HG LEU A 16 7.106 4.937 10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.914 3.866 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.558 2.754 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.764 3.490 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.513 6.313 9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.337 6.096 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.867 6.970 9.396 1.00 0.00 H new ATOM 198 N PRO A 17 2.666 5.560 8.295 1.00 0.00 N ATOM 199 CA PRO A 17 1.306 5.298 7.857 1.00 0.00 C ATOM 200 C PRO A 17 1.091 3.806 7.597 1.00 0.00 C ATOM 201 O PRO A 17 2.053 3.049 7.469 1.00 0.00 O ATOM 202 CB PRO A 17 1.124 6.150 6.611 1.00 0.00 C ATOM 203 CG PRO A 17 2.525 6.495 6.133 1.00 0.00 C ATOM 204 CD PRO A 17 3.495 6.164 7.256 1.00 0.00 C ATOM 0 HA PRO A 17 0.564 5.556 8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.572 5.607 5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.555 7.052 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.772 5.928 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.590 7.551 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.271 5.477 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.998 7.059 7.621 1.00 0.00 H new ATOM 212 N VAL A 18 -0.177 3.427 7.527 1.00 0.00 N ATOM 213 CA VAL A 18 -0.530 2.038 7.285 1.00 0.00 C ATOM 214 C VAL A 18 -1.052 1.891 5.855 1.00 0.00 C ATOM 215 O VAL A 18 -2.091 2.451 5.509 1.00 0.00 O ATOM 216 CB VAL A 18 -1.532 1.562 8.339 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.063 0.168 8.000 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.911 1.587 9.737 1.00 0.00 C ATOM 0 H VAL A 18 -0.972 4.057 7.634 1.00 0.00 H new ATOM 0 HA VAL A 18 0.348 1.399 7.378 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.376 2.252 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.773 -0.147 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.561 0.194 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.233 -0.538 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.644 1.244 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.041 0.931 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.605 2.604 9.981 1.00 0.00 H new ATOM 228 N LEU A 19 -0.307 1.135 5.062 1.00 0.00 N ATOM 229 CA LEU A 19 -0.682 0.907 3.676 1.00 0.00 C ATOM 230 C LEU A 19 -1.341 -0.468 3.550 1.00 0.00 C ATOM 231 O LEU A 19 -0.684 -1.493 3.722 1.00 0.00 O ATOM 232 CB LEU A 19 0.526 1.097 2.757 1.00 0.00 C ATOM 233 CG LEU A 19 0.260 0.937 1.258 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.203 2.257 0.639 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.485 0.366 0.542 1.00 0.00 C ATOM 0 H LEU A 19 0.554 0.672 5.352 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.418 1.644 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.935 2.092 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.295 0.381 3.048 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.551 0.220 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.385 2.115 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.123 2.583 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.569 3.014 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.269 0.262 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.332 1.039 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.728 -0.611 0.960 1.00 0.00 H new ATOM 247 N THR A 20 -2.632 -0.445 3.252 1.00 0.00 N ATOM 248 CA THR A 20 -3.387 -1.677 3.101 1.00 0.00 C ATOM 249 C THR A 20 -3.134 -2.292 1.723 1.00 0.00 C ATOM 250 O THR A 20 -3.581 -1.758 0.709 1.00 0.00 O ATOM 251 CB THR A 20 -4.861 -1.363 3.364 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.832 -0.463 4.469 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.633 -2.574 3.891 1.00 0.00 C ATOM 0 H THR A 20 -3.174 0.407 3.111 1.00 0.00 H new ATOM 0 HA THR A 20 -3.066 -2.429 3.822 1.00 0.00 H new ATOM 0 HB THR A 20 -5.326 -1.008 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.748 -0.206 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.673 -2.297 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.587 -3.381 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.189 -2.909 4.829 1.00 0.00 H new ATOM 261 N LEU A 21 -2.418 -3.407 1.731 1.00 0.00 N ATOM 262 CA LEU A 21 -2.099 -4.100 0.494 1.00 0.00 C ATOM 263 C LEU A 21 -3.007 -5.324 0.353 1.00 0.00 C ATOM 264 O LEU A 21 -3.019 -6.195 1.222 1.00 0.00 O ATOM 265 CB LEU A 21 -0.607 -4.431 0.434 1.00 0.00 C ATOM 266 CG LEU A 21 -0.215 -5.603 -0.468 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.690 -5.373 -1.903 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.290 -5.870 -0.398 1.00 0.00 C ATOM 0 H LEU A 21 -2.050 -3.848 2.574 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.293 -3.457 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.072 -3.544 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.262 -4.646 1.445 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.718 -6.498 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.398 -6.221 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.775 -5.271 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.236 -4.463 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.542 -6.708 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.833 -4.982 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.570 -6.110 0.628 1.00 0.00 H new ATOM 280 N PHE A 22 -3.743 -5.351 -0.747 1.00 0.00 N ATOM 281 CA PHE A 22 -4.651 -6.454 -1.013 1.00 0.00 C ATOM 282 C PHE A 22 -4.151 -7.308 -2.180 1.00 0.00 C ATOM 283 O PHE A 22 -4.341 -6.950 -3.342 1.00 0.00 O ATOM 284 CB PHE A 22 -6.002 -5.841 -1.388 1.00 0.00 C ATOM 285 CG PHE A 22 -6.709 -5.137 -0.228 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.241 -5.867 0.789 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.805 -3.780 -0.213 1.00 0.00 C ATOM 288 CE1 PHE A 22 -7.897 -5.214 1.865 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.461 -3.127 0.863 1.00 0.00 C ATOM 290 CZ PHE A 22 -7.993 -3.857 1.880 1.00 0.00 C ATOM 0 H PHE A 22 -3.730 -4.627 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.724 -7.095 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.853 -5.126 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.652 -6.627 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.164 -6.944 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.382 -3.200 -1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.320 -5.794 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.538 -2.050 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.491 -3.360 2.699 1.00 0.00 H new ATOM 300 N THR A 23 -3.521 -8.420 -1.831 1.00 0.00 N ATOM 301 CA THR A 23 -2.992 -9.327 -2.835 1.00 0.00 C ATOM 302 C THR A 23 -3.870 -10.575 -2.942 1.00 0.00 C ATOM 303 O THR A 23 -4.782 -10.768 -2.139 1.00 0.00 O ATOM 304 CB THR A 23 -1.538 -9.636 -2.473 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.288 -10.898 -3.087 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.351 -9.906 -0.978 1.00 0.00 C ATOM 0 H THR A 23 -3.365 -8.713 -0.867 1.00 0.00 H new ATOM 0 HA THR A 23 -3.006 -8.873 -3.826 1.00 0.00 H new ATOM 0 HB THR A 23 -0.904 -8.802 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.366 -11.174 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.302 -10.120 -0.775 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.659 -9.029 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.959 -10.762 -0.684 1.00 0.00 H new ATOM 314 N LYS A 24 -3.565 -11.390 -3.941 1.00 0.00 N ATOM 315 CA LYS A 24 -4.315 -12.614 -4.164 1.00 0.00 C ATOM 316 C LYS A 24 -3.514 -13.539 -5.082 1.00 0.00 C ATOM 317 O LYS A 24 -2.385 -13.222 -5.456 1.00 0.00 O ATOM 318 CB LYS A 24 -5.718 -12.296 -4.685 1.00 0.00 C ATOM 319 CG LYS A 24 -5.682 -11.937 -6.172 1.00 0.00 C ATOM 320 CD LYS A 24 -6.623 -12.837 -6.975 1.00 0.00 C ATOM 321 CE LYS A 24 -7.585 -12.005 -7.826 1.00 0.00 C ATOM 322 NZ LYS A 24 -8.090 -12.801 -8.966 1.00 0.00 N ATOM 0 H LYS A 24 -2.808 -11.226 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.462 -13.146 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.371 -13.155 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.142 -11.468 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.969 -10.894 -6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.665 -12.039 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.040 -13.496 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.190 -13.474 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.420 -11.665 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.076 -11.114 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.741 -12.221 -9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.291 -13.104 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.593 -13.638 -8.609 1.00 0.00 H new ATOM 336 N ALA A 25 -4.128 -14.663 -5.419 1.00 0.00 N ATOM 337 CA ALA A 25 -3.485 -15.636 -6.287 1.00 0.00 C ATOM 338 C ALA A 25 -4.556 -16.495 -6.964 1.00 0.00 C ATOM 339 O ALA A 25 -5.581 -16.806 -6.359 1.00 0.00 O ATOM 340 CB ALA A 25 -2.496 -16.472 -5.472 1.00 0.00 C ATOM 0 H ALA A 25 -5.064 -14.922 -5.107 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.919 -15.135 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.014 -17.202 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.740 -15.819 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.029 -16.992 -4.676 1.00 0.00 H new ATOM 346 N PRO A 26 -4.274 -16.862 -8.242 1.00 0.00 N ATOM 347 CA PRO A 26 -3.037 -16.450 -8.884 1.00 0.00 C ATOM 348 C PRO A 26 -3.092 -14.975 -9.284 1.00 0.00 C ATOM 349 O PRO A 26 -4.094 -14.511 -9.826 1.00 0.00 O ATOM 350 CB PRO A 26 -2.882 -17.383 -10.074 1.00 0.00 C ATOM 351 CG PRO A 26 -4.261 -17.972 -10.325 1.00 0.00 C ATOM 352 CD PRO A 26 -5.122 -17.677 -9.108 1.00 0.00 C ATOM 0 HA PRO A 26 -2.174 -16.524 -8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.523 -16.842 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.155 -18.167 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.704 -17.537 -11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.192 -19.047 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.032 -17.145 -9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.430 -18.596 -8.609 1.00 0.00 H new ATOM 360 N CYS A 27 -2.001 -14.277 -9.001 1.00 0.00 N ATOM 361 CA CYS A 27 -1.912 -12.863 -9.324 1.00 0.00 C ATOM 362 C CYS A 27 -0.437 -12.459 -9.310 1.00 0.00 C ATOM 363 O CYS A 27 0.184 -12.400 -8.250 1.00 0.00 O ATOM 364 CB CYS A 27 -2.747 -12.010 -8.366 1.00 0.00 C ATOM 365 SG CYS A 27 -4.288 -11.470 -9.191 1.00 0.00 S ATOM 0 H CYS A 27 -1.171 -14.665 -8.552 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.326 -12.687 -10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.986 -12.583 -7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.173 -11.141 -8.045 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.828 -12.480 -9.806 1.00 0.00 H new ATOM 371 N PRO A 28 0.095 -12.184 -10.531 1.00 0.00 N ATOM 372 CA PRO A 28 1.486 -11.787 -10.669 1.00 0.00 C ATOM 373 C PRO A 28 1.691 -10.341 -10.216 1.00 0.00 C ATOM 374 O PRO A 28 2.708 -10.016 -9.605 1.00 0.00 O ATOM 375 CB PRO A 28 1.812 -12.001 -12.138 1.00 0.00 C ATOM 376 CG PRO A 28 0.475 -12.066 -12.857 1.00 0.00 C ATOM 377 CD PRO A 28 -0.610 -12.244 -11.808 1.00 0.00 C ATOM 0 HA PRO A 28 2.155 -12.371 -10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.424 -11.186 -12.525 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.378 -12.921 -12.282 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.305 -11.155 -13.431 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.462 -12.895 -13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.364 -11.460 -11.881 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.127 -13.196 -11.931 1.00 0.00 H new ATOM 385 N LEU A 29 0.709 -9.510 -10.533 1.00 0.00 N ATOM 386 CA LEU A 29 0.768 -8.105 -10.166 1.00 0.00 C ATOM 387 C LEU A 29 0.910 -7.985 -8.647 1.00 0.00 C ATOM 388 O LEU A 29 1.919 -7.484 -8.152 1.00 0.00 O ATOM 389 CB LEU A 29 -0.437 -7.352 -10.733 1.00 0.00 C ATOM 390 CG LEU A 29 -0.358 -6.977 -12.214 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.323 -8.228 -13.095 1.00 0.00 C ATOM 392 CD2 LEU A 29 -1.498 -6.034 -12.603 1.00 0.00 C ATOM 0 H LEU A 29 -0.133 -9.783 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 29 1.646 -7.632 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.327 -7.963 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.575 -6.439 -10.154 1.00 0.00 H new ATOM 0 HG LEU A 29 0.575 -6.439 -12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.267 -7.934 -14.143 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.550 -8.829 -12.840 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.227 -8.814 -12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.418 -5.783 -13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.454 -6.523 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.435 -5.123 -12.008 1.00 0.00 H new ATOM 404 N CYS A 30 -0.114 -8.453 -7.950 1.00 0.00 N ATOM 405 CA CYS A 30 -0.117 -8.405 -6.498 1.00 0.00 C ATOM 406 C CYS A 30 1.278 -8.792 -6.002 1.00 0.00 C ATOM 407 O CYS A 30 1.801 -8.183 -5.070 1.00 0.00 O ATOM 408 CB CYS A 30 -1.204 -9.302 -5.904 1.00 0.00 C ATOM 409 SG CYS A 30 -2.836 -8.852 -6.598 1.00 0.00 S ATOM 0 H CYS A 30 -0.949 -8.868 -8.364 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.352 -7.394 -6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.983 -10.347 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.220 -9.198 -4.819 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.751 -9.622 -6.088 1.00 0.00 H new ATOM 415 N ASP A 31 1.841 -9.803 -6.648 1.00 0.00 N ATOM 416 CA ASP A 31 3.165 -10.279 -6.285 1.00 0.00 C ATOM 417 C ASP A 31 4.193 -9.184 -6.574 1.00 0.00 C ATOM 418 O ASP A 31 4.866 -8.704 -5.663 1.00 0.00 O ATOM 419 CB ASP A 31 3.549 -11.515 -7.100 1.00 0.00 C ATOM 420 CG ASP A 31 4.730 -12.314 -6.546 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.049 -12.104 -5.356 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.288 -13.116 -7.326 1.00 0.00 O ATOM 0 H ASP A 31 1.404 -10.306 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 31 3.152 -10.536 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.682 -12.173 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.787 -11.202 -8.117 1.00 0.00 H new ATOM 427 N GLU A 32 4.282 -8.820 -7.845 1.00 0.00 N ATOM 428 CA GLU A 32 5.216 -7.790 -8.265 1.00 0.00 C ATOM 429 C GLU A 32 5.038 -6.531 -7.413 1.00 0.00 C ATOM 430 O GLU A 32 6.012 -5.972 -6.914 1.00 0.00 O ATOM 431 CB GLU A 32 5.051 -7.474 -9.753 1.00 0.00 C ATOM 432 CG GLU A 32 6.409 -7.237 -10.417 1.00 0.00 C ATOM 433 CD GLU A 32 6.722 -8.338 -11.432 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.059 -8.338 -12.492 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.617 -9.155 -11.126 1.00 0.00 O ATOM 0 H GLU A 32 3.722 -9.220 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 32 6.229 -8.164 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.539 -8.298 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.424 -6.590 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.410 -6.267 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.189 -7.206 -9.657 1.00 0.00 H new ATOM 442 N ALA A 33 3.785 -6.123 -7.274 1.00 0.00 N ATOM 443 CA ALA A 33 3.466 -4.941 -6.492 1.00 0.00 C ATOM 444 C ALA A 33 4.380 -4.883 -5.266 1.00 0.00 C ATOM 445 O ALA A 33 5.146 -3.935 -5.103 1.00 0.00 O ATOM 446 CB ALA A 33 1.984 -4.963 -6.114 1.00 0.00 C ATOM 0 H ALA A 33 2.979 -6.590 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 33 3.640 -4.037 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.745 -4.076 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.378 -4.973 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.772 -5.855 -5.525 1.00 0.00 H new ATOM 452 N LYS A 34 4.268 -5.910 -4.437 1.00 0.00 N ATOM 453 CA LYS A 34 5.075 -5.989 -3.231 1.00 0.00 C ATOM 454 C LYS A 34 6.529 -5.659 -3.573 1.00 0.00 C ATOM 455 O LYS A 34 7.150 -4.822 -2.919 1.00 0.00 O ATOM 456 CB LYS A 34 4.896 -7.349 -2.554 1.00 0.00 C ATOM 457 CG LYS A 34 3.435 -7.579 -2.163 1.00 0.00 C ATOM 458 CD LYS A 34 3.060 -9.058 -2.286 1.00 0.00 C ATOM 459 CE LYS A 34 2.562 -9.610 -0.949 1.00 0.00 C ATOM 460 NZ LYS A 34 3.149 -10.943 -0.687 1.00 0.00 N ATOM 0 H LYS A 34 3.631 -6.694 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 34 4.743 -5.250 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.225 -8.140 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.527 -7.403 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.272 -7.243 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.785 -6.981 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.286 -9.179 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.926 -9.630 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.828 -8.925 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.474 -9.681 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.800 -11.303 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.874 -11.599 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.186 -10.866 -0.655 1.00 0.00 H new ATOM 474 N GLU A 35 7.031 -6.334 -4.597 1.00 0.00 N ATOM 475 CA GLU A 35 8.400 -6.123 -5.034 1.00 0.00 C ATOM 476 C GLU A 35 8.641 -4.641 -5.329 1.00 0.00 C ATOM 477 O GLU A 35 9.768 -4.159 -5.229 1.00 0.00 O ATOM 478 CB GLU A 35 8.726 -6.985 -6.255 1.00 0.00 C ATOM 479 CG GLU A 35 8.191 -8.408 -6.079 1.00 0.00 C ATOM 480 CD GLU A 35 8.932 -9.388 -6.992 1.00 0.00 C ATOM 481 OE1 GLU A 35 9.998 -9.873 -6.557 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.414 -9.630 -8.103 1.00 0.00 O ATOM 0 H GLU A 35 6.513 -7.028 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 35 9.068 -6.426 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.291 -6.537 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.805 -7.014 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.304 -8.717 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.125 -8.430 -6.304 1.00 0.00 H new ATOM 489 N VAL A 36 7.563 -3.959 -5.687 1.00 0.00 N ATOM 490 CA VAL A 36 7.642 -2.542 -5.998 1.00 0.00 C ATOM 491 C VAL A 36 7.588 -1.736 -4.698 1.00 0.00 C ATOM 492 O VAL A 36 7.994 -0.575 -4.667 1.00 0.00 O ATOM 493 CB VAL A 36 6.538 -2.160 -6.985 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.738 -0.735 -7.507 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.463 -3.161 -8.139 1.00 0.00 C ATOM 0 H VAL A 36 6.629 -4.362 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 36 8.589 -2.310 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 36 5.587 -2.192 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.940 -0.488 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.717 -0.035 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.700 -0.665 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.670 -2.866 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.415 -3.177 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.250 -4.155 -7.745 1.00 0.00 H new ATOM 505 N LEU A 37 7.084 -2.383 -3.658 1.00 0.00 N ATOM 506 CA LEU A 37 6.971 -1.740 -2.360 1.00 0.00 C ATOM 507 C LEU A 37 8.139 -2.180 -1.475 1.00 0.00 C ATOM 508 O LEU A 37 8.223 -1.790 -0.312 1.00 0.00 O ATOM 509 CB LEU A 37 5.597 -2.013 -1.744 1.00 0.00 C ATOM 510 CG LEU A 37 4.399 -1.422 -2.490 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.161 -1.381 -1.592 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.736 -0.045 -3.065 1.00 0.00 C ATOM 0 H LEU A 37 6.749 -3.346 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 37 7.039 -0.657 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.460 -3.092 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.594 -1.624 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 37 4.165 -2.074 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.324 -0.957 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.910 -2.392 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.367 -0.765 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.867 0.353 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.011 0.630 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.570 -0.135 -3.760 1.00 0.00 H new ATOM 524 N GLN A 38 9.013 -2.986 -2.061 1.00 0.00 N ATOM 525 CA GLN A 38 10.173 -3.483 -1.340 1.00 0.00 C ATOM 526 C GLN A 38 10.926 -2.325 -0.684 1.00 0.00 C ATOM 527 O GLN A 38 11.192 -2.354 0.517 1.00 0.00 O ATOM 528 CB GLN A 38 11.093 -4.281 -2.266 1.00 0.00 C ATOM 529 CG GLN A 38 11.041 -5.774 -1.938 1.00 0.00 C ATOM 530 CD GLN A 38 12.431 -6.305 -1.579 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.609 -7.070 -0.645 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.401 -5.859 -2.371 1.00 0.00 N ATOM 0 H GLN A 38 8.941 -3.307 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 38 9.828 -4.157 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.797 -4.123 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.116 -3.919 -2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.357 -5.944 -1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.647 -6.324 -2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.182 -5.220 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.364 -6.156 -2.215 1.00 0.00 H new ATOM 541 N PRO A 39 11.257 -1.306 -1.522 1.00 0.00 N ATOM 542 CA PRO A 39 11.975 -0.140 -1.035 1.00 0.00 C ATOM 543 C PRO A 39 11.050 0.776 -0.231 1.00 0.00 C ATOM 544 O PRO A 39 11.483 1.812 0.274 1.00 0.00 O ATOM 545 CB PRO A 39 12.534 0.526 -2.281 1.00 0.00 C ATOM 546 CG PRO A 39 11.726 -0.023 -3.446 1.00 0.00 C ATOM 547 CD PRO A 39 10.959 -1.238 -2.949 1.00 0.00 C ATOM 0 HA PRO A 39 12.777 -0.398 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.442 1.610 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.594 0.302 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.039 0.734 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.383 -0.298 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.889 -1.130 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.277 -2.145 -3.464 1.00 0.00 H new ATOM 555 N TYR A 40 9.795 0.362 -0.136 1.00 0.00 N ATOM 556 CA TYR A 40 8.806 1.133 0.598 1.00 0.00 C ATOM 557 C TYR A 40 8.236 0.323 1.764 1.00 0.00 C ATOM 558 O TYR A 40 7.158 0.633 2.271 1.00 0.00 O ATOM 559 CB TYR A 40 7.683 1.434 -0.396 1.00 0.00 C ATOM 560 CG TYR A 40 8.124 2.273 -1.597 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.093 3.651 -1.525 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.553 1.652 -2.753 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.508 4.441 -2.656 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.967 2.442 -3.883 1.00 0.00 C ATOM 565 CZ TYR A 40 8.925 3.797 -3.779 1.00 0.00 C ATOM 566 OH TYR A 40 9.317 4.543 -4.847 1.00 0.00 O ATOM 0 H TYR A 40 9.440 -0.498 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 40 9.253 2.038 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.268 0.492 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.881 1.957 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.758 4.137 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.578 0.574 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.488 5.520 -2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.304 1.969 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 40 9.437 3.961 -5.626 1.00 0.00 H new ATOM 576 N LYS A 41 8.983 -0.698 2.155 1.00 0.00 N ATOM 577 CA LYS A 41 8.565 -1.555 3.252 1.00 0.00 C ATOM 578 C LYS A 41 8.840 -0.847 4.580 1.00 0.00 C ATOM 579 O LYS A 41 7.941 -0.702 5.408 1.00 0.00 O ATOM 580 CB LYS A 41 9.227 -2.930 3.140 1.00 0.00 C ATOM 581 CG LYS A 41 8.657 -3.718 1.959 1.00 0.00 C ATOM 582 CD LYS A 41 9.022 -5.200 2.061 1.00 0.00 C ATOM 583 CE LYS A 41 8.276 -6.023 1.008 1.00 0.00 C ATOM 584 NZ LYS A 41 8.360 -7.466 1.324 1.00 0.00 N ATOM 0 H LYS A 41 9.876 -0.952 1.732 1.00 0.00 H new ATOM 0 HA LYS A 41 7.492 -1.738 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.303 -2.810 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.072 -3.488 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.573 -3.608 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.041 -3.309 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.097 -5.323 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.778 -5.570 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.232 -5.713 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.702 -5.835 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.849 -8.010 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.357 -7.761 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.933 -7.643 2.256 1.00 0.00 H new ATOM 598 N ASP A 42 10.085 -0.424 4.742 1.00 0.00 N ATOM 599 CA ASP A 42 10.489 0.266 5.955 1.00 0.00 C ATOM 600 C ASP A 42 9.901 1.678 5.954 1.00 0.00 C ATOM 601 O ASP A 42 9.910 2.360 6.978 1.00 0.00 O ATOM 602 CB ASP A 42 12.012 0.388 6.038 1.00 0.00 C ATOM 603 CG ASP A 42 12.566 0.631 7.444 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.442 1.783 7.911 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.100 -0.342 8.018 1.00 0.00 O ATOM 0 H ASP A 42 10.827 -0.546 4.053 1.00 0.00 H new ATOM 0 HA ASP A 42 10.126 -0.309 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.457 -0.525 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.332 1.205 5.392 1.00 0.00 H new ATOM 610 N ARG A 43 9.402 2.076 4.793 1.00 0.00 N ATOM 611 CA ARG A 43 8.811 3.395 4.645 1.00 0.00 C ATOM 612 C ARG A 43 7.520 3.492 5.460 1.00 0.00 C ATOM 613 O ARG A 43 7.324 4.450 6.208 1.00 0.00 O ATOM 614 CB ARG A 43 8.503 3.699 3.177 1.00 0.00 C ATOM 615 CG ARG A 43 9.725 4.291 2.472 1.00 0.00 C ATOM 616 CD ARG A 43 9.759 5.814 2.620 1.00 0.00 C ATOM 617 NE ARG A 43 10.219 6.181 3.977 1.00 0.00 N ATOM 618 CZ ARG A 43 9.399 6.447 5.003 1.00 0.00 C ATOM 619 NH1 ARG A 43 8.071 6.388 4.831 1.00 0.00 N ATOM 620 NH2 ARG A 43 9.906 6.771 6.200 1.00 0.00 N ATOM 0 H ARG A 43 9.395 1.508 3.946 1.00 0.00 H new ATOM 0 HA ARG A 43 9.533 4.125 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.193 2.785 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.668 4.397 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.635 3.861 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.704 4.025 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.425 6.245 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.767 6.227 2.439 1.00 0.00 H new ATOM 0 HE ARG A 43 11.224 6.235 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.685 6.141 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.446 6.590 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.917 6.815 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.281 6.973 6.981 1.00 0.00 H new ATOM 634 N PHE A 44 6.672 2.489 5.289 1.00 0.00 N ATOM 635 CA PHE A 44 5.405 2.449 6.000 1.00 0.00 C ATOM 636 C PHE A 44 5.060 1.021 6.426 1.00 0.00 C ATOM 637 O PHE A 44 5.860 0.104 6.244 1.00 0.00 O ATOM 638 CB PHE A 44 4.333 2.953 5.031 1.00 0.00 C ATOM 639 CG PHE A 44 4.425 2.346 3.630 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.279 1.005 3.459 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.654 3.148 2.556 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.364 0.442 2.158 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.740 2.585 1.255 1.00 0.00 C ATOM 644 CZ PHE A 44 4.593 1.244 1.083 1.00 0.00 C ATOM 0 H PHE A 44 6.837 1.697 4.668 1.00 0.00 H new ATOM 0 HA PHE A 44 5.463 3.063 6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.350 2.733 5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.411 4.037 4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.098 0.368 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.770 4.213 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.247 -0.623 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.922 3.222 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.658 0.816 0.094 1.00 0.00 H new ATOM 654 N ILE A 45 3.867 0.875 6.984 1.00 0.00 N ATOM 655 CA ILE A 45 3.406 -0.426 7.437 1.00 0.00 C ATOM 656 C ILE A 45 2.539 -1.062 6.348 1.00 0.00 C ATOM 657 O ILE A 45 1.359 -0.741 6.223 1.00 0.00 O ATOM 658 CB ILE A 45 2.703 -0.304 8.790 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.671 0.184 9.869 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.028 -1.621 9.178 1.00 0.00 C ATOM 661 CD1 ILE A 45 2.939 1.006 10.932 1.00 0.00 C ATOM 0 H ILE A 45 3.205 1.637 7.133 1.00 0.00 H new ATOM 0 HA ILE A 45 4.251 -1.094 7.603 1.00 0.00 H new ATOM 0 HB ILE A 45 1.917 0.446 8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.159 -0.670 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.455 0.789 9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.536 -1.507 10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.288 -1.887 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.778 -2.409 9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.650 1.341 11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.472 1.873 10.464 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.172 0.391 11.403 1.00 0.00 H new ATOM 673 N LEU A 46 3.159 -1.954 5.589 1.00 0.00 N ATOM 674 CA LEU A 46 2.459 -2.639 4.516 1.00 0.00 C ATOM 675 C LEU A 46 1.544 -3.710 5.111 1.00 0.00 C ATOM 676 O LEU A 46 2.017 -4.739 5.591 1.00 0.00 O ATOM 677 CB LEU A 46 3.454 -3.182 3.488 1.00 0.00 C ATOM 678 CG LEU A 46 2.846 -3.825 2.240 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.940 -2.838 1.501 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.936 -4.395 1.330 1.00 0.00 C ATOM 0 H LEU A 46 4.138 -2.218 5.696 1.00 0.00 H new ATOM 0 HA LEU A 46 1.822 -1.942 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.102 -2.364 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.088 -3.919 3.980 1.00 0.00 H new ATOM 0 HG LEU A 46 2.222 -4.661 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.521 -3.320 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.132 -2.522 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.521 -1.967 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.477 -4.846 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.606 -3.594 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.503 -5.152 1.872 1.00 0.00 H new ATOM 692 N GLN A 47 0.249 -3.431 5.062 1.00 0.00 N ATOM 693 CA GLN A 47 -0.737 -4.358 5.590 1.00 0.00 C ATOM 694 C GLN A 47 -1.255 -5.273 4.479 1.00 0.00 C ATOM 695 O GLN A 47 -2.137 -4.888 3.713 1.00 0.00 O ATOM 696 CB GLN A 47 -1.888 -3.609 6.264 1.00 0.00 C ATOM 697 CG GLN A 47 -2.459 -4.417 7.431 1.00 0.00 C ATOM 698 CD GLN A 47 -3.696 -3.733 8.018 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.518 -3.169 7.315 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.781 -3.813 9.343 1.00 0.00 N ATOM 0 H GLN A 47 -0.140 -2.576 4.665 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.256 -4.976 6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.536 -2.642 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.674 -3.411 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.720 -5.419 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.700 -4.531 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.058 -4.300 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.569 -3.387 9.830 1.00 0.00 H new ATOM 709 N GLU A 48 -0.684 -6.468 4.426 1.00 0.00 N ATOM 710 CA GLU A 48 -1.077 -7.441 3.421 1.00 0.00 C ATOM 711 C GLU A 48 -2.386 -8.123 3.825 1.00 0.00 C ATOM 712 O GLU A 48 -2.399 -8.969 4.718 1.00 0.00 O ATOM 713 CB GLU A 48 0.030 -8.471 3.193 1.00 0.00 C ATOM 714 CG GLU A 48 0.824 -8.152 1.924 1.00 0.00 C ATOM 715 CD GLU A 48 2.322 -8.374 2.144 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.730 -9.555 2.123 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.025 -7.357 2.328 1.00 0.00 O ATOM 0 H GLU A 48 0.047 -6.784 5.063 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.239 -6.916 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.701 -8.485 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.406 -9.467 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.476 -8.781 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.645 -7.118 1.629 1.00 0.00 H new ATOM 724 N VAL A 49 -3.455 -7.729 3.149 1.00 0.00 N ATOM 725 CA VAL A 49 -4.765 -8.292 3.427 1.00 0.00 C ATOM 726 C VAL A 49 -5.054 -9.417 2.431 1.00 0.00 C ATOM 727 O VAL A 49 -4.891 -9.241 1.225 1.00 0.00 O ATOM 728 CB VAL A 49 -5.824 -7.188 3.404 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.228 -7.771 3.578 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.535 -6.129 4.470 1.00 0.00 C ATOM 0 H VAL A 49 -3.441 -7.027 2.409 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.789 -8.728 4.426 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.781 -6.703 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.962 -6.965 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.435 -8.470 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.289 -8.294 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.302 -5.356 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.537 -6.595 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.559 -5.681 4.283 1.00 0.00 H new ATOM 740 N ASP A 50 -5.477 -10.550 2.973 1.00 0.00 N ATOM 741 CA ASP A 50 -5.789 -11.704 2.148 1.00 0.00 C ATOM 742 C ASP A 50 -7.273 -11.671 1.774 1.00 0.00 C ATOM 743 O ASP A 50 -8.130 -12.007 2.590 1.00 0.00 O ATOM 744 CB ASP A 50 -5.520 -13.009 2.900 1.00 0.00 C ATOM 745 CG ASP A 50 -4.071 -13.497 2.849 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.743 -14.197 1.867 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.325 -13.160 3.793 1.00 0.00 O ATOM 0 H ASP A 50 -5.611 -10.693 3.974 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.158 -11.664 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.806 -12.875 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.164 -13.787 2.490 1.00 0.00 H new ATOM 752 N ILE A 51 -7.530 -11.264 0.539 1.00 0.00 N ATOM 753 CA ILE A 51 -8.895 -11.183 0.047 1.00 0.00 C ATOM 754 C ILE A 51 -9.368 -12.579 -0.363 1.00 0.00 C ATOM 755 O ILE A 51 -10.568 -12.848 -0.393 1.00 0.00 O ATOM 756 CB ILE A 51 -9.000 -10.145 -1.071 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.154 -10.552 -2.279 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.636 -8.749 -0.560 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.641 -9.853 -3.550 1.00 0.00 C ATOM 0 H ILE A 51 -6.816 -10.987 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.565 -10.838 0.835 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.037 -10.106 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.109 -10.299 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.201 -11.633 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.719 -8.030 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.316 -8.467 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.613 -8.755 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.023 -10.160 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.678 -10.128 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.569 -8.773 -3.421 1.00 0.00 H new ATOM 771 N THR A 52 -8.401 -13.431 -0.669 1.00 0.00 N ATOM 772 CA THR A 52 -8.703 -14.793 -1.076 1.00 0.00 C ATOM 773 C THR A 52 -9.427 -15.537 0.048 1.00 0.00 C ATOM 774 O THR A 52 -9.990 -16.608 -0.174 1.00 0.00 O ATOM 775 CB THR A 52 -7.395 -15.461 -1.502 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.473 -15.106 -0.475 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.802 -14.834 -2.767 1.00 0.00 C ATOM 0 H THR A 52 -7.407 -13.204 -0.643 1.00 0.00 H new ATOM 0 HA THR A 52 -9.385 -14.809 -1.926 1.00 0.00 H new ATOM 0 HB THR A 52 -7.569 -16.524 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.597 -15.500 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.875 -15.345 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.512 -14.932 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.597 -13.779 -2.588 1.00 0.00 H new ATOM 785 N LEU A 53 -9.389 -14.940 1.230 1.00 0.00 N ATOM 786 CA LEU A 53 -10.034 -15.533 2.389 1.00 0.00 C ATOM 787 C LEU A 53 -11.546 -15.318 2.291 1.00 0.00 C ATOM 788 O LEU A 53 -12.005 -14.419 1.588 1.00 0.00 O ATOM 789 CB LEU A 53 -9.419 -14.990 3.681 1.00 0.00 C ATOM 790 CG LEU A 53 -8.023 -15.511 4.029 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.380 -14.664 5.129 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.069 -16.994 4.402 1.00 0.00 C ATOM 0 H LEU A 53 -8.921 -14.052 1.410 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.865 -16.610 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.372 -13.903 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.090 -15.226 4.507 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.394 -15.420 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.389 -15.056 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.293 -13.632 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.000 -14.700 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.064 -17.339 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.719 -17.132 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.457 -17.569 3.561 1.00 0.00 H new ATOM 804 N PRO A 54 -12.298 -16.182 3.025 1.00 0.00 N ATOM 805 CA PRO A 54 -13.748 -16.096 3.027 1.00 0.00 C ATOM 806 C PRO A 54 -14.226 -14.911 3.869 1.00 0.00 C ATOM 807 O PRO A 54 -15.112 -14.166 3.452 1.00 0.00 O ATOM 808 CB PRO A 54 -14.221 -17.436 3.567 1.00 0.00 C ATOM 809 CG PRO A 54 -13.024 -18.044 4.279 1.00 0.00 C ATOM 810 CD PRO A 54 -11.789 -17.259 3.869 1.00 0.00 C ATOM 0 HA PRO A 54 -14.159 -15.913 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.059 -17.307 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.565 -18.083 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.161 -18.003 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.914 -19.095 4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.263 -16.866 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.082 -17.887 3.326 1.00 0.00 H new ATOM 818 N GLU A 55 -13.617 -14.773 5.038 1.00 0.00 N ATOM 819 CA GLU A 55 -13.969 -13.691 5.941 1.00 0.00 C ATOM 820 C GLU A 55 -13.634 -12.339 5.307 1.00 0.00 C ATOM 821 O GLU A 55 -14.123 -11.302 5.753 1.00 0.00 O ATOM 822 CB GLU A 55 -13.267 -13.853 7.291 1.00 0.00 C ATOM 823 CG GLU A 55 -11.747 -13.778 7.130 1.00 0.00 C ATOM 824 CD GLU A 55 -11.039 -14.112 8.445 1.00 0.00 C ATOM 825 OE1 GLU A 55 -10.772 -15.315 8.655 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.782 -13.157 9.209 1.00 0.00 O ATOM 0 H GLU A 55 -12.882 -15.392 5.380 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.043 -13.729 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.603 -13.074 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.543 -14.809 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.425 -14.472 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.461 -12.778 6.803 1.00 0.00 H new ATOM 833 N ASN A 56 -12.803 -12.395 4.277 1.00 0.00 N ATOM 834 CA ASN A 56 -12.397 -11.188 3.577 1.00 0.00 C ATOM 835 C ASN A 56 -12.985 -11.201 2.164 1.00 0.00 C ATOM 836 O ASN A 56 -12.667 -10.337 1.348 1.00 0.00 O ATOM 837 CB ASN A 56 -10.874 -11.108 3.455 1.00 0.00 C ATOM 838 CG ASN A 56 -10.216 -11.049 4.834 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.766 -10.529 5.791 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.011 -11.608 4.883 1.00 0.00 N ATOM 0 H ASN A 56 -12.400 -13.257 3.910 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.759 -10.331 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.503 -11.975 2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.598 -10.225 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.489 -11.619 5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.608 -12.026 4.044 1.00 0.00 H new ATOM 847 N SER A 57 -13.832 -12.190 1.919 1.00 0.00 N ATOM 848 CA SER A 57 -14.467 -12.326 0.619 1.00 0.00 C ATOM 849 C SER A 57 -15.058 -10.984 0.182 1.00 0.00 C ATOM 850 O SER A 57 -15.247 -10.744 -1.010 1.00 0.00 O ATOM 851 CB SER A 57 -15.555 -13.401 0.648 1.00 0.00 C ATOM 852 OG SER A 57 -16.285 -13.455 -0.575 1.00 0.00 O ATOM 0 H SER A 57 -14.093 -12.905 2.598 1.00 0.00 H new ATOM 0 HA SER A 57 -13.709 -12.633 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.100 -14.372 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.241 -13.201 1.471 1.00 0.00 H new ATOM 0 HG SER A 57 -17.129 -12.968 -0.474 1.00 0.00 H new ATOM 858 N THR A 58 -15.332 -10.145 1.170 1.00 0.00 N ATOM 859 CA THR A 58 -15.898 -8.834 0.902 1.00 0.00 C ATOM 860 C THR A 58 -14.865 -7.937 0.217 1.00 0.00 C ATOM 861 O THR A 58 -15.192 -7.208 -0.718 1.00 0.00 O ATOM 862 CB THR A 58 -16.416 -8.264 2.224 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.653 -8.940 2.432 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.812 -6.790 2.110 1.00 0.00 C ATOM 0 H THR A 58 -15.173 -10.347 2.157 1.00 0.00 H new ATOM 0 HA THR A 58 -16.736 -8.899 0.208 1.00 0.00 H new ATOM 0 HB THR A 58 -15.651 -8.377 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.057 -8.632 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.173 -6.434 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.945 -6.203 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.601 -6.682 1.366 1.00 0.00 H new ATOM 872 N TRP A 59 -13.637 -8.020 0.709 1.00 0.00 N ATOM 873 CA TRP A 59 -12.554 -7.225 0.156 1.00 0.00 C ATOM 874 C TRP A 59 -12.342 -7.660 -1.295 1.00 0.00 C ATOM 875 O TRP A 59 -11.939 -6.856 -2.135 1.00 0.00 O ATOM 876 CB TRP A 59 -11.290 -7.352 1.009 1.00 0.00 C ATOM 877 CG TRP A 59 -11.244 -6.392 2.200 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.264 -6.695 3.505 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.168 -4.952 2.141 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.207 -5.560 4.288 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.147 -4.467 3.432 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.120 -4.088 1.033 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.077 -3.102 3.738 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.050 -2.727 1.354 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.028 -2.223 2.649 1.00 0.00 C ATOM 0 H TRP A 59 -13.369 -8.626 1.484 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.808 -6.165 0.168 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.214 -8.375 1.377 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.419 -7.174 0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.318 -7.701 3.895 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.209 -5.529 5.308 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.136 -4.446 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.062 -2.747 4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.010 -2.020 0.539 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.973 -1.157 2.815 1.00 0.00 H new ATOM 896 N TYR A 60 -12.622 -8.930 -1.546 1.00 0.00 N ATOM 897 CA TYR A 60 -12.466 -9.481 -2.882 1.00 0.00 C ATOM 898 C TYR A 60 -13.692 -9.178 -3.746 1.00 0.00 C ATOM 899 O TYR A 60 -13.561 -8.666 -4.857 1.00 0.00 O ATOM 900 CB TYR A 60 -12.347 -10.996 -2.701 1.00 0.00 C ATOM 901 CG TYR A 60 -11.965 -11.746 -3.979 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.934 -12.061 -4.910 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.651 -12.108 -4.200 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.574 -12.767 -6.112 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.292 -12.814 -5.403 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.271 -13.109 -6.299 1.00 0.00 C ATOM 907 OH TYR A 60 -10.931 -13.776 -7.435 1.00 0.00 O ATOM 0 H TYR A 60 -12.956 -9.594 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.596 -9.049 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.601 -11.203 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.297 -11.384 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.962 -11.778 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.893 -11.862 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.322 -13.019 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.268 -13.103 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.539 -13.519 -8.160 1.00 0.00 H new ATOM 917 N GLU A 61 -14.855 -9.505 -3.203 1.00 0.00 N ATOM 918 CA GLU A 61 -16.103 -9.274 -3.910 1.00 0.00 C ATOM 919 C GLU A 61 -16.180 -7.824 -4.391 1.00 0.00 C ATOM 920 O GLU A 61 -16.942 -7.508 -5.303 1.00 0.00 O ATOM 921 CB GLU A 61 -17.305 -9.625 -3.031 1.00 0.00 C ATOM 922 CG GLU A 61 -17.424 -11.139 -2.844 1.00 0.00 C ATOM 923 CD GLU A 61 -18.335 -11.475 -1.662 1.00 0.00 C ATOM 924 OE1 GLU A 61 -17.832 -11.408 -0.520 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.515 -11.791 -1.927 1.00 0.00 O ATOM 0 H GLU A 61 -14.959 -9.928 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.130 -9.927 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.203 -9.142 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.217 -9.238 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.820 -11.591 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.435 -11.568 -2.679 1.00 0.00 H new ATOM 932 N ARG A 62 -15.380 -6.980 -3.755 1.00 0.00 N ATOM 933 CA ARG A 62 -15.348 -5.570 -4.106 1.00 0.00 C ATOM 934 C ARG A 62 -14.115 -5.264 -4.960 1.00 0.00 C ATOM 935 O ARG A 62 -14.157 -4.391 -5.826 1.00 0.00 O ATOM 936 CB ARG A 62 -15.324 -4.691 -2.854 1.00 0.00 C ATOM 937 CG ARG A 62 -13.962 -4.763 -2.160 1.00 0.00 C ATOM 938 CD ARG A 62 -13.872 -3.744 -1.022 1.00 0.00 C ATOM 939 NE ARG A 62 -14.183 -2.389 -1.531 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.524 -1.354 -0.751 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.601 -1.512 0.577 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.788 -0.160 -1.300 1.00 0.00 N ATOM 0 H ARG A 62 -14.749 -7.246 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.252 -5.349 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.544 -3.659 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.105 -5.012 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.803 -5.767 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.170 -4.575 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.568 -4.012 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.872 -3.758 -0.588 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.135 -2.234 -2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.400 -2.420 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.861 -0.724 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.729 -0.039 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.048 0.628 -0.707 1.00 0.00 H new ATOM 956 N TYR A 63 -13.048 -5.999 -4.686 1.00 0.00 N ATOM 957 CA TYR A 63 -11.806 -5.817 -5.418 1.00 0.00 C ATOM 958 C TYR A 63 -11.224 -7.163 -5.855 1.00 0.00 C ATOM 959 O TYR A 63 -10.247 -7.638 -5.277 1.00 0.00 O ATOM 960 CB TYR A 63 -10.836 -5.148 -4.443 1.00 0.00 C ATOM 961 CG TYR A 63 -11.223 -3.718 -4.062 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.643 -2.834 -5.035 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.154 -3.311 -2.745 1.00 0.00 C ATOM 964 CE1 TYR A 63 -12.008 -1.488 -4.677 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.519 -1.965 -2.386 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.928 -1.120 -3.370 1.00 0.00 C ATOM 967 OH TYR A 63 -12.273 0.151 -3.032 1.00 0.00 O ATOM 0 H TYR A 63 -13.017 -6.722 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.974 -5.222 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.775 -5.750 -3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.840 -5.138 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.698 -3.152 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.826 -4.003 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.338 -0.787 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.469 -1.634 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.168 0.272 -2.065 1.00 0.00 H new ATOM 977 N LYS A 64 -11.849 -7.740 -6.871 1.00 0.00 N ATOM 978 CA LYS A 64 -11.406 -9.022 -7.391 1.00 0.00 C ATOM 979 C LYS A 64 -10.854 -8.830 -8.806 1.00 0.00 C ATOM 980 O LYS A 64 -10.298 -9.758 -9.390 1.00 0.00 O ATOM 981 CB LYS A 64 -12.532 -10.054 -7.305 1.00 0.00 C ATOM 982 CG LYS A 64 -13.719 -9.644 -8.180 1.00 0.00 C ATOM 983 CD LYS A 64 -14.950 -10.498 -7.868 1.00 0.00 C ATOM 984 CE LYS A 64 -16.224 -9.651 -7.892 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.169 -10.108 -6.848 1.00 0.00 N ATOM 0 H LYS A 64 -12.659 -7.343 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.594 -9.420 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.162 -11.029 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.857 -10.157 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.951 -8.592 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.454 -9.751 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.032 -11.305 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.836 -10.963 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.974 -8.602 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.695 -9.719 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.053 -10.426 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.746 -10.896 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.373 -9.323 -6.197 1.00 0.00 H new ATOM 999 N PHE A 65 -11.028 -7.619 -9.315 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.555 -7.294 -10.650 1.00 0.00 C ATOM 1001 C PHE A 65 -9.860 -5.931 -10.668 1.00 0.00 C ATOM 1002 O PHE A 65 -9.642 -5.355 -11.733 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.784 -7.238 -11.559 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.059 -6.771 -10.854 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.172 -5.481 -10.437 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.080 -7.645 -10.644 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.355 -5.047 -9.783 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.263 -7.211 -9.990 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.376 -5.922 -9.573 1.00 0.00 C ATOM 0 H PHE A 65 -11.490 -6.851 -8.827 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.837 -8.043 -10.983 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.576 -6.568 -12.393 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.956 -8.228 -11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.362 -4.787 -10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.991 -8.669 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.445 -4.023 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.073 -7.905 -9.824 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.276 -5.592 -9.075 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.531 -5.454 -9.476 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.865 -4.170 -9.341 1.00 0.00 C ATOM 1021 C ASP A 66 -7.461 -4.385 -8.774 1.00 0.00 C ATOM 1022 O ASP A 66 -6.493 -3.812 -9.270 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.627 -3.252 -8.383 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.146 -3.432 -8.386 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.579 -4.604 -8.364 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.841 -2.393 -8.410 1.00 0.00 O ATOM 0 H ASP A 66 -9.714 -5.934 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.823 -3.707 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.258 -3.421 -7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.398 -2.217 -8.637 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.395 -5.213 -7.742 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.125 -5.512 -7.101 1.00 0.00 C ATOM 1033 C ILE A 67 -5.022 -5.549 -8.160 1.00 0.00 C ATOM 1034 O ILE A 67 -5.292 -5.789 -9.336 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.230 -6.796 -6.276 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -6.953 -7.893 -7.060 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.892 -6.526 -4.923 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.433 -9.007 -6.127 1.00 0.00 C ATOM 0 H ILE A 67 -8.201 -5.687 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.861 -4.727 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.221 -7.156 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.804 -7.466 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.284 -8.308 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.954 -7.455 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.299 -5.801 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.895 -6.130 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.944 -9.774 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.577 -9.448 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.121 -8.593 -5.390 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.769 -5.301 -7.693 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.535 -5.025 -6.286 1.00 0.00 C ATOM 1052 C PRO A 68 -3.988 -3.610 -5.922 1.00 0.00 C ATOM 1053 O PRO A 68 -3.653 -2.650 -6.614 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.045 -5.242 -6.084 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.423 -5.177 -7.470 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.545 -5.277 -8.489 1.00 0.00 C ATOM 0 HA PRO A 68 -4.111 -5.676 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.624 -4.478 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.851 -6.206 -5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.873 -4.245 -7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.710 -5.990 -7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.535 -4.429 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.450 -6.178 -9.096 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.744 -3.525 -4.837 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.246 -2.243 -4.372 1.00 0.00 C ATOM 1066 C VAL A 69 -4.387 -1.757 -3.204 1.00 0.00 C ATOM 1067 O VAL A 69 -3.939 -2.556 -2.383 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.729 -2.360 -4.016 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.263 -1.042 -3.452 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.550 -2.811 -5.226 1.00 0.00 C ATOM 0 H VAL A 69 -5.021 -4.324 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.173 -1.495 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.828 -3.121 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.319 -1.152 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.707 -0.780 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.143 -0.253 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.601 -2.886 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.441 -2.085 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.194 -3.784 -5.565 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.184 -0.448 -3.165 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.387 0.155 -2.110 1.00 0.00 C ATOM 1082 C PHE A 70 -4.148 1.295 -1.431 1.00 0.00 C ATOM 1083 O PHE A 70 -4.552 2.254 -2.088 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.127 0.719 -2.769 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.252 -0.337 -3.446 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.494 -0.697 -4.734 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.231 -0.917 -2.758 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.682 -1.678 -5.363 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.581 -1.898 -3.386 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.339 -2.257 -4.675 1.00 0.00 C ATOM 0 H PHE A 70 -4.558 0.212 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.150 -0.590 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.419 1.463 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.535 1.236 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.304 -0.237 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.038 -0.631 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.875 -1.964 -6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.391 -2.359 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.958 -3.002 -5.153 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.321 1.154 -0.125 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.026 2.160 0.650 1.00 0.00 C ATOM 1102 C HIS A 71 -4.065 2.805 1.650 1.00 0.00 C ATOM 1103 O HIS A 71 -3.511 2.124 2.512 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.265 1.561 1.320 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.258 0.963 0.352 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.394 0.290 0.765 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.273 0.945 -1.012 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.056 -0.112 -0.311 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.359 0.295 -1.410 1.00 0.00 N ATOM 0 H HIS A 71 -3.985 0.357 0.416 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.387 2.946 -0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.949 0.790 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.762 2.337 1.901 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.674 0.130 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.528 1.385 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.984 -0.665 -0.316 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.896 4.111 1.501 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.010 4.855 2.381 1.00 0.00 C ATOM 1119 C LEU A 72 -3.847 5.689 3.353 1.00 0.00 C ATOM 1120 O LEU A 72 -4.637 6.533 2.932 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.013 5.680 1.564 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.536 5.480 1.910 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.330 6.559 1.257 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.331 5.419 3.425 1.00 0.00 C ATOM 0 H LEU A 72 -4.357 4.672 0.785 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.408 4.173 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.154 5.444 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.256 6.735 1.689 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.216 4.520 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.375 6.394 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.215 6.512 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.018 7.541 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.727 5.276 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.672 6.351 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.902 4.586 3.836 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.646 5.423 4.635 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.373 6.139 5.671 1.00 0.00 C ATOM 1138 C ASN A 73 -5.869 5.855 5.526 1.00 0.00 C ATOM 1139 O ASN A 73 -6.676 6.780 5.447 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.164 7.649 5.546 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.974 8.110 6.390 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.055 8.252 7.599 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.867 8.334 5.687 1.00 0.00 N ATOM 0 H ASN A 73 -2.991 4.722 4.981 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.001 5.802 6.639 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.997 7.911 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.065 8.172 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.017 8.644 6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.868 8.195 4.676 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.195 4.571 5.497 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.581 4.153 5.364 1.00 0.00 C ATOM 1152 C GLY A 74 -8.270 4.897 4.218 1.00 0.00 C ATOM 1153 O GLY A 74 -9.423 5.307 4.343 1.00 0.00 O ATOM 0 H GLY A 74 -5.523 3.806 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.625 3.079 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.113 4.342 6.297 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.534 5.049 3.127 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.060 5.737 1.959 1.00 0.00 C ATOM 1159 C GLN A 75 -7.336 5.267 0.696 1.00 0.00 C ATOM 1160 O GLN A 75 -6.121 5.418 0.580 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.951 7.254 2.121 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.215 7.829 2.764 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.625 9.140 2.089 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -9.472 9.328 0.894 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.154 10.033 2.920 1.00 0.00 N ATOM 0 H GLN A 75 -6.578 4.708 3.027 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.117 5.490 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.084 7.496 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.791 7.717 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.028 7.106 2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.041 8.001 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.254 9.811 3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.460 10.940 2.567 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.113 4.707 -0.219 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.561 4.214 -1.470 1.00 0.00 C ATOM 1176 C PHE A 76 -6.517 5.183 -2.028 1.00 0.00 C ATOM 1177 O PHE A 76 -6.839 6.320 -2.369 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.722 4.108 -2.460 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.375 4.569 -3.877 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.644 3.764 -4.694 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.797 5.784 -4.320 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.322 4.191 -6.010 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.474 6.211 -5.635 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.744 5.406 -6.452 1.00 0.00 C ATOM 0 H PHE A 76 -9.121 4.583 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.075 3.252 -1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.060 3.072 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.557 4.702 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.308 2.800 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.378 6.424 -3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.742 3.551 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.808 7.176 -5.986 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.499 5.731 -7.452 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.286 4.698 -2.103 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.192 5.506 -2.613 1.00 0.00 C ATOM 1196 C LEU A 77 -4.030 5.249 -4.113 1.00 0.00 C ATOM 1197 O LEU A 77 -3.838 6.183 -4.889 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.918 5.256 -1.805 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.686 4.832 -2.608 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.018 6.041 -3.265 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.710 4.040 -1.737 1.00 0.00 C ATOM 0 H LEU A 77 -5.022 3.755 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.414 6.566 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.674 6.166 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.127 4.485 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.012 4.169 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.145 5.712 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.725 6.526 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.707 6.748 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.156 3.751 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.386 4.658 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.204 3.146 -1.358 1.00 0.00 H new ATOM 1213 N MET A 78 -4.114 3.977 -4.475 1.00 0.00 N ATOM 1214 CA MET A 78 -3.978 3.585 -5.867 1.00 0.00 C ATOM 1215 C MET A 78 -4.149 2.073 -6.030 1.00 0.00 C ATOM 1216 O MET A 78 -3.855 1.309 -5.112 1.00 0.00 O ATOM 1217 CB MET A 78 -2.600 4.002 -6.384 1.00 0.00 C ATOM 1218 CG MET A 78 -1.522 3.016 -5.928 1.00 0.00 C ATOM 1219 SD MET A 78 0.094 3.632 -6.369 1.00 0.00 S ATOM 1220 CE MET A 78 1.101 2.711 -5.218 1.00 0.00 C ATOM 0 H MET A 78 -4.275 3.205 -3.828 1.00 0.00 H new ATOM 0 HA MET A 78 -4.757 4.084 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.616 4.051 -7.473 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.359 5.002 -6.023 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.583 2.871 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.688 2.043 -6.391 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.153 2.937 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.835 2.990 -4.198 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.931 1.644 -5.359 1.00 0.00 H new ATOM 1230 N MET A 79 -4.623 1.686 -7.205 1.00 0.00 N ATOM 1231 CA MET A 79 -4.836 0.280 -7.500 1.00 0.00 C ATOM 1232 C MET A 79 -4.638 -0.004 -8.990 1.00 0.00 C ATOM 1233 O MET A 79 -4.650 0.915 -9.808 1.00 0.00 O ATOM 1234 CB MET A 79 -6.255 -0.119 -7.088 1.00 0.00 C ATOM 1235 CG MET A 79 -7.294 0.779 -7.761 1.00 0.00 C ATOM 1236 SD MET A 79 -8.936 0.149 -7.455 1.00 0.00 S ATOM 1237 CE MET A 79 -9.847 1.682 -7.377 1.00 0.00 C ATOM 0 H MET A 79 -4.866 2.322 -7.964 1.00 0.00 H new ATOM 0 HA MET A 79 -4.107 -0.304 -6.938 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.437 -1.159 -7.359 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.356 -0.050 -6.005 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.209 1.796 -7.379 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.107 0.824 -8.834 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.903 1.470 -7.208 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.464 2.292 -6.559 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.732 2.222 -8.317 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.461 -1.280 -9.299 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.261 -1.697 -10.676 1.00 0.00 C ATOM 1249 C HIS A 80 -2.771 -1.632 -11.021 1.00 0.00 C ATOM 1250 O HIS A 80 -2.393 -1.765 -12.183 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.126 -0.866 -11.626 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.554 -0.698 -11.167 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.504 -0.014 -11.907 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.185 -1.132 -10.039 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.650 -0.041 -11.243 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.451 -0.734 -10.086 1.00 0.00 N ATOM 0 H HIS A 80 -4.452 -2.040 -8.618 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.582 -2.732 -10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.675 0.119 -11.744 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.124 -1.337 -12.609 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.732 -1.703 -9.242 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.579 0.407 -11.562 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.158 -0.917 -9.374 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.967 -1.428 -9.988 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.527 -1.344 -10.167 1.00 0.00 C ATOM 1266 C ARG A 81 0.120 -0.668 -8.956 1.00 0.00 C ATOM 1267 O ARG A 81 -0.536 -0.452 -7.938 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.174 -0.558 -11.431 1.00 0.00 C ATOM 1269 CG ARG A 81 0.302 -1.493 -12.544 1.00 0.00 C ATOM 1270 CD ARG A 81 0.148 -0.835 -13.917 1.00 0.00 C ATOM 1271 NE ARG A 81 1.436 -0.877 -14.645 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.966 -1.989 -15.171 1.00 0.00 C ATOM 1273 NH1 ARG A 81 1.322 -3.159 -15.054 1.00 0.00 N ATOM 1274 NH2 ARG A 81 3.140 -1.933 -15.815 1.00 0.00 N ATOM 0 H ARG A 81 -2.285 -1.318 -9.025 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.145 -2.360 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.045 0.002 -11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.605 0.170 -11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.346 -1.758 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.271 -2.420 -12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.621 -1.350 -14.492 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.180 0.198 -13.800 1.00 0.00 H new ATOM 0 HE ARG A 81 1.953 -0.004 -14.753 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.428 -3.202 -14.564 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.726 -4.006 -15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.630 -1.043 -15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.543 -2.780 -16.215 1.00 0.00 H new ATOM 1288 N VAL A 82 1.397 -0.352 -9.108 1.00 0.00 N ATOM 1289 CA VAL A 82 2.140 0.296 -8.039 1.00 0.00 C ATOM 1290 C VAL A 82 2.918 1.482 -8.612 1.00 0.00 C ATOM 1291 O VAL A 82 4.101 1.360 -8.926 1.00 0.00 O ATOM 1292 CB VAL A 82 3.036 -0.723 -7.333 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.739 -0.093 -6.129 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.239 -1.960 -6.917 1.00 0.00 C ATOM 0 H VAL A 82 1.937 -0.532 -9.955 1.00 0.00 H new ATOM 0 HA VAL A 82 1.460 0.688 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 82 3.802 -1.041 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.370 -0.839 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.355 0.742 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.994 0.267 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.900 -2.668 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.441 -1.666 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.807 -2.429 -7.801 1.00 0.00 H new ATOM 1304 N ASN A 83 2.223 2.604 -8.730 1.00 0.00 N ATOM 1305 CA ASN A 83 2.834 3.811 -9.259 1.00 0.00 C ATOM 1306 C ASN A 83 3.532 4.563 -8.124 1.00 0.00 C ATOM 1307 O ASN A 83 2.987 5.525 -7.584 1.00 0.00 O ATOM 1308 CB ASN A 83 1.781 4.741 -9.865 1.00 0.00 C ATOM 1309 CG ASN A 83 1.776 4.643 -11.392 1.00 0.00 C ATOM 1310 OD1 ASN A 83 2.807 4.542 -12.036 1.00 0.00 O ATOM 1311 ND2 ASN A 83 0.562 4.677 -11.932 1.00 0.00 N ATOM 0 H ASN A 83 1.242 2.702 -8.468 1.00 0.00 H new ATOM 0 HA ASN A 83 3.545 3.519 -10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.796 4.482 -9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.982 5.769 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.452 4.617 -12.944 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.260 4.763 -11.334 1.00 0.00 H new ATOM 1318 N THR A 84 4.728 4.097 -7.796 1.00 0.00 N ATOM 1319 CA THR A 84 5.507 4.714 -6.735 1.00 0.00 C ATOM 1320 C THR A 84 5.305 6.230 -6.738 1.00 0.00 C ATOM 1321 O THR A 84 5.004 6.822 -5.702 1.00 0.00 O ATOM 1322 CB THR A 84 6.967 4.295 -6.916 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.252 4.608 -8.277 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.156 2.779 -6.835 1.00 0.00 C ATOM 0 H THR A 84 5.177 3.299 -8.246 1.00 0.00 H new ATOM 0 HA THR A 84 5.176 4.376 -5.753 1.00 0.00 H new ATOM 0 HB THR A 84 7.580 4.778 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.181 4.370 -8.480 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.210 2.536 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.823 2.422 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.570 2.297 -7.617 1.00 0.00 H new ATOM 1332 N SER A 85 5.478 6.816 -7.913 1.00 0.00 N ATOM 1333 CA SER A 85 5.318 8.252 -8.065 1.00 0.00 C ATOM 1334 C SER A 85 4.146 8.741 -7.212 1.00 0.00 C ATOM 1335 O SER A 85 4.264 9.738 -6.500 1.00 0.00 O ATOM 1336 CB SER A 85 5.102 8.631 -9.531 1.00 0.00 C ATOM 1337 OG SER A 85 5.714 9.877 -9.856 1.00 0.00 O ATOM 0 H SER A 85 5.728 6.322 -8.770 1.00 0.00 H new ATOM 0 HA SER A 85 6.234 8.736 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.510 7.849 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.033 8.687 -9.737 1.00 0.00 H new ATOM 0 HG SER A 85 5.555 10.083 -10.801 1.00 0.00 H new ATOM 1343 N LYS A 86 3.041 8.017 -7.311 1.00 0.00 N ATOM 1344 CA LYS A 86 1.848 8.364 -6.558 1.00 0.00 C ATOM 1345 C LYS A 86 2.106 8.133 -5.067 1.00 0.00 C ATOM 1346 O LYS A 86 2.014 9.061 -4.266 1.00 0.00 O ATOM 1347 CB LYS A 86 0.634 7.606 -7.097 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.580 8.530 -7.220 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.348 8.256 -8.514 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.497 7.275 -8.273 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.794 7.903 -8.608 1.00 0.00 N ATOM 0 H LYS A 86 2.947 7.191 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 86 1.614 9.421 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.871 7.179 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.397 6.774 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.239 8.386 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.254 9.570 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.741 9.191 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.670 7.850 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.352 6.380 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.499 6.957 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.563 7.223 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.937 8.743 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.795 8.184 -9.609 1.00 0.00 H new ATOM 1365 N LEU A 87 2.424 6.889 -4.741 1.00 0.00 N ATOM 1366 CA LEU A 87 2.696 6.523 -3.361 1.00 0.00 C ATOM 1367 C LEU A 87 3.627 7.564 -2.736 1.00 0.00 C ATOM 1368 O LEU A 87 3.234 8.283 -1.819 1.00 0.00 O ATOM 1369 CB LEU A 87 3.232 5.092 -3.281 1.00 0.00 C ATOM 1370 CG LEU A 87 4.032 4.745 -2.024 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.180 4.922 -0.766 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.623 3.337 -2.122 1.00 0.00 C ATOM 0 H LEU A 87 2.499 6.122 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 87 1.775 6.527 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.389 4.405 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.864 4.913 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 87 4.868 5.441 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.772 4.669 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.848 5.958 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.311 4.266 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.187 3.115 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.818 2.611 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.286 3.280 -2.985 1.00 0.00 H new ATOM 1384 N GLU A 88 4.844 7.612 -3.259 1.00 0.00 N ATOM 1385 CA GLU A 88 5.834 8.553 -2.763 1.00 0.00 C ATOM 1386 C GLU A 88 5.183 9.909 -2.479 1.00 0.00 C ATOM 1387 O GLU A 88 5.311 10.445 -1.380 1.00 0.00 O ATOM 1388 CB GLU A 88 6.994 8.699 -3.750 1.00 0.00 C ATOM 1389 CG GLU A 88 7.472 7.330 -4.240 1.00 0.00 C ATOM 1390 CD GLU A 88 8.999 7.238 -4.207 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.555 7.431 -3.104 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.575 6.978 -5.285 1.00 0.00 O ATOM 0 H GLU A 88 5.166 7.015 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 88 6.240 8.164 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.679 9.304 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.819 9.227 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.043 6.546 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.116 7.159 -5.256 1.00 0.00 H new ATOM 1399 N LYS A 89 4.499 10.424 -3.490 1.00 0.00 N ATOM 1400 CA LYS A 89 3.827 11.706 -3.363 1.00 0.00 C ATOM 1401 C LYS A 89 3.064 11.748 -2.038 1.00 0.00 C ATOM 1402 O LYS A 89 3.249 12.665 -1.239 1.00 0.00 O ATOM 1403 CB LYS A 89 2.950 11.975 -4.587 1.00 0.00 C ATOM 1404 CG LYS A 89 2.731 13.477 -4.785 1.00 0.00 C ATOM 1405 CD LYS A 89 1.401 13.922 -4.173 1.00 0.00 C ATOM 1406 CE LYS A 89 1.225 15.438 -4.289 1.00 0.00 C ATOM 1407 NZ LYS A 89 1.608 16.103 -3.024 1.00 0.00 N ATOM 0 H LYS A 89 4.396 9.977 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 89 4.555 12.517 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.419 11.552 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.988 11.476 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.550 14.031 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.743 13.713 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.577 13.417 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.362 13.627 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.837 15.819 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.188 15.672 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.208 17.063 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.241 15.556 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.645 16.158 -2.961 1.00 0.00 H new ATOM 1421 N GLN A 90 2.222 10.743 -1.844 1.00 0.00 N ATOM 1422 CA GLN A 90 1.430 10.654 -0.630 1.00 0.00 C ATOM 1423 C GLN A 90 2.343 10.605 0.597 1.00 0.00 C ATOM 1424 O GLN A 90 2.205 11.416 1.511 1.00 0.00 O ATOM 1425 CB GLN A 90 0.500 9.440 -0.670 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.511 9.561 -1.812 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.343 10.838 -1.675 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.362 10.877 -1.005 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.853 11.878 -2.344 1.00 0.00 N ATOM 0 H GLN A 90 2.072 9.983 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 90 0.807 11.546 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.088 8.531 -0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.028 9.350 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.013 9.565 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.169 8.692 -1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.005 11.777 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.335 12.776 -2.315 1.00 0.00 H new ATOM 1438 N LEU A 91 3.256 9.645 0.577 1.00 0.00 N ATOM 1439 CA LEU A 91 4.191 9.479 1.677 1.00 0.00 C ATOM 1440 C LEU A 91 4.638 10.856 2.172 1.00 0.00 C ATOM 1441 O LEU A 91 4.436 11.195 3.337 1.00 0.00 O ATOM 1442 CB LEU A 91 5.349 8.569 1.262 1.00 0.00 C ATOM 1443 CG LEU A 91 5.082 7.065 1.341 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.151 6.277 0.581 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.958 6.606 2.796 1.00 0.00 C ATOM 0 H LEU A 91 3.368 8.974 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 91 3.708 8.979 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.629 8.815 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.209 8.799 1.891 1.00 0.00 H new ATOM 0 HG LEU A 91 4.127 6.862 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.937 5.211 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.148 6.577 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.130 6.481 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.768 5.533 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.885 6.825 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.133 7.133 3.275 1.00 0.00 H new ATOM 1457 N ARG A 92 5.236 11.611 1.263 1.00 0.00 N ATOM 1458 CA ARG A 92 5.713 12.943 1.594 1.00 0.00 C ATOM 1459 C ARG A 92 4.710 13.656 2.503 1.00 0.00 C ATOM 1460 O ARG A 92 5.048 14.051 3.617 1.00 0.00 O ATOM 1461 CB ARG A 92 5.931 13.779 0.331 1.00 0.00 C ATOM 1462 CG ARG A 92 7.359 13.618 -0.194 1.00 0.00 C ATOM 1463 CD ARG A 92 7.459 14.063 -1.655 1.00 0.00 C ATOM 1464 NE ARG A 92 7.819 15.497 -1.723 1.00 0.00 N ATOM 1465 CZ ARG A 92 6.933 16.499 -1.650 1.00 0.00 C ATOM 1466 NH1 ARG A 92 5.628 16.230 -1.506 1.00 0.00 N ATOM 1467 NH2 ARG A 92 7.350 17.770 -1.721 1.00 0.00 N ATOM 0 H ARG A 92 5.401 11.326 0.298 1.00 0.00 H new ATOM 0 HA ARG A 92 6.665 12.835 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.221 13.475 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.736 14.829 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.043 14.207 0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.668 12.576 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.208 13.466 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.509 13.894 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 92 8.804 15.738 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.310 15.262 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.953 16.993 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.343 17.976 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.674 18.532 -1.665 1.00 0.00 H new ATOM 1481 N LYS A 93 3.496 13.799 1.992 1.00 0.00 N ATOM 1482 CA LYS A 93 2.441 14.457 2.744 1.00 0.00 C ATOM 1483 C LYS A 93 1.186 13.583 2.726 1.00 0.00 C ATOM 1484 O LYS A 93 0.666 13.258 1.660 1.00 0.00 O ATOM 1485 CB LYS A 93 2.210 15.875 2.216 1.00 0.00 C ATOM 1486 CG LYS A 93 1.122 15.888 1.140 1.00 0.00 C ATOM 1487 CD LYS A 93 1.188 17.172 0.310 1.00 0.00 C ATOM 1488 CE LYS A 93 0.433 18.310 0.999 1.00 0.00 C ATOM 1489 NZ LYS A 93 0.328 19.481 0.099 1.00 0.00 N ATOM 0 H LYS A 93 3.219 13.471 1.067 1.00 0.00 H new ATOM 0 HA LYS A 93 2.734 14.574 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.922 16.531 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.139 16.270 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.240 15.023 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.141 15.803 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.229 17.459 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.762 16.993 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.563 17.973 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.949 18.594 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.187 20.245 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.281 19.812 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.184 19.210 -0.765 1.00 0.00 H new ATOM 1503 N LEU A 94 0.734 13.226 3.920 1.00 0.00 N ATOM 1504 CA LEU A 94 -0.450 12.395 4.055 1.00 0.00 C ATOM 1505 C LEU A 94 -1.395 13.025 5.080 1.00 0.00 C ATOM 1506 O LEU A 94 -2.507 13.427 4.740 1.00 0.00 O ATOM 1507 CB LEU A 94 -0.058 10.954 4.384 1.00 0.00 C ATOM 1508 CG LEU A 94 -0.129 9.958 3.224 1.00 0.00 C ATOM 1509 CD1 LEU A 94 0.309 8.562 3.673 1.00 0.00 C ATOM 1510 CD2 LEU A 94 -1.523 9.947 2.595 1.00 0.00 C ATOM 0 H LEU A 94 1.167 13.498 4.803 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.991 12.346 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.960 10.955 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.705 10.596 5.184 1.00 0.00 H new ATOM 0 HG LEU A 94 0.569 10.282 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.249 7.873 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.336 8.602 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.346 8.215 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.546 9.231 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.259 9.661 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.759 10.941 2.216 1.00 0.00 H new ATOM 1522 N SER A 95 -0.919 13.092 6.315 1.00 0.00 N ATOM 1523 CA SER A 95 -1.708 13.666 7.391 1.00 0.00 C ATOM 1524 C SER A 95 -2.992 12.858 7.587 1.00 0.00 C ATOM 1525 O SER A 95 -3.571 12.362 6.622 1.00 0.00 O ATOM 1526 CB SER A 95 -2.041 15.132 7.109 1.00 0.00 C ATOM 1527 OG SER A 95 -1.238 16.020 7.881 1.00 0.00 O ATOM 0 H SER A 95 0.004 12.758 6.594 1.00 0.00 H new ATOM 0 HA SER A 95 -1.118 13.626 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.894 15.340 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.094 15.313 7.327 1.00 0.00 H new ATOM 0 HG SER A 95 -1.480 16.946 7.671 1.00 0.00 H new ATOM 1533 N GLY A 96 -3.400 12.751 8.843 1.00 0.00 N ATOM 1534 CA GLY A 96 -4.605 12.011 9.178 1.00 0.00 C ATOM 1535 C GLY A 96 -4.797 11.934 10.694 1.00 0.00 C ATOM 1536 O GLY A 96 -3.995 12.474 11.454 1.00 0.00 O ATOM 0 H GLY A 96 -2.918 13.164 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.470 12.492 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.545 11.005 8.764 1.00 0.00 H new ATOM 1540 N PRO A 97 -5.894 11.240 11.100 1.00 0.00 N ATOM 1541 CA PRO A 97 -6.202 11.085 12.511 1.00 0.00 C ATOM 1542 C PRO A 97 -5.271 10.063 13.166 1.00 0.00 C ATOM 1543 O PRO A 97 -4.888 10.220 14.325 1.00 0.00 O ATOM 1544 CB PRO A 97 -7.663 10.668 12.551 1.00 0.00 C ATOM 1545 CG PRO A 97 -7.989 10.155 11.158 1.00 0.00 C ATOM 1546 CD PRO A 97 -6.867 10.587 10.228 1.00 0.00 C ATOM 0 HA PRO A 97 -6.048 12.003 13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.828 9.894 13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.302 11.510 12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.084 9.069 11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.943 10.556 10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.427 9.732 9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.230 11.269 9.459 1.00 0.00 H new ATOM 1554 N SER A 98 -4.933 9.039 12.396 1.00 0.00 N ATOM 1555 CA SER A 98 -4.053 7.992 12.888 1.00 0.00 C ATOM 1556 C SER A 98 -4.773 7.161 13.952 1.00 0.00 C ATOM 1557 O SER A 98 -5.035 5.977 13.748 1.00 0.00 O ATOM 1558 CB SER A 98 -2.761 8.580 13.457 1.00 0.00 C ATOM 1559 OG SER A 98 -1.755 7.586 13.636 1.00 0.00 O ATOM 0 H SER A 98 -5.252 8.912 11.436 1.00 0.00 H new ATOM 0 HA SER A 98 -3.787 7.347 12.051 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.390 9.355 12.787 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.971 9.059 14.413 1.00 0.00 H new ATOM 0 HG SER A 98 -0.945 8.002 13.999 1.00 0.00 H new ATOM 1565 N SER A 99 -5.070 7.815 15.066 1.00 0.00 N ATOM 1566 CA SER A 99 -5.754 7.151 16.163 1.00 0.00 C ATOM 1567 C SER A 99 -4.936 5.949 16.639 1.00 0.00 C ATOM 1568 O SER A 99 -5.023 4.867 16.060 1.00 0.00 O ATOM 1569 CB SER A 99 -7.158 6.707 15.749 1.00 0.00 C ATOM 1570 OG SER A 99 -8.155 7.639 16.158 1.00 0.00 O ATOM 0 H SER A 99 -4.850 8.797 15.232 1.00 0.00 H new ATOM 0 HA SER A 99 -5.854 7.862 16.983 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.196 6.588 14.666 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.373 5.731 16.185 1.00 0.00 H new ATOM 0 HG SER A 99 -9.037 7.320 15.874 1.00 0.00 H new ATOM 1576 N GLY A 100 -4.160 6.179 17.688 1.00 0.00 N ATOM 1577 CA GLY A 100 -3.328 5.128 18.248 1.00 0.00 C ATOM 1578 C GLY A 100 -3.638 4.914 19.731 1.00 0.00 C ATOM 1579 O GLY A 100 -2.783 5.136 20.586 1.00 0.00 O ATOM 0 H GLY A 100 -4.090 7.078 18.165 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.492 4.200 17.701 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.277 5.388 18.127 1.00 0.00 H new TER 1583 GLY A 100