USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=0.47) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.0363 (180deg=-0.614) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.97! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.123 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 11:sc= 0.536! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 137:sc= -1.98 (180deg=-4.73!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0.753 (180deg=-0.0707) USER MOD Single : A 70 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.93) USER MOD Single : A 71 SER OG : rot -143:sc= 1.04 USER MOD Single : A 74 SER OG : rot 135:sc= 0.0685 USER MOD Single : A 80 THR OG1 : rot -69:sc= -2.93 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 154:sc= -1.28 (180deg=-3.21) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -137:sc= -0.171 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.034 0.208 14.746 1.00 0.00 N ATOM 21 CA LYS A 2 -0.452 -0.164 13.460 1.00 0.00 C ATOM 22 C LYS A 2 -1.538 -0.543 12.457 1.00 0.00 C ATOM 23 O LYS A 2 -2.160 -1.599 12.569 1.00 0.00 O ATOM 24 CB LYS A 2 0.525 -1.322 13.635 1.00 0.00 C ATOM 25 CG LYS A 2 1.975 -0.882 13.763 1.00 0.00 C ATOM 26 CD LYS A 2 2.158 0.115 14.896 1.00 0.00 C ATOM 27 CE LYS A 2 3.625 0.288 15.256 1.00 0.00 C ATOM 28 NZ LYS A 2 4.186 1.554 14.710 1.00 0.00 N ATOM 0 HA LYS A 2 0.087 0.700 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.247 -1.890 14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.433 -1.996 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.606 -1.753 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.304 -0.433 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.738 1.078 14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.605 -0.223 15.772 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.736 0.280 16.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.195 -0.557 14.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.212 1.450 14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.738 1.766 13.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.000 2.332 15.375 1.00 0.00 H new ATOM 42 N ARG A 3 -1.754 0.326 11.475 1.00 0.00 N ATOM 43 CA ARG A 3 -2.759 0.085 10.445 1.00 0.00 C ATOM 44 C ARG A 3 -2.212 0.443 9.067 1.00 0.00 C ATOM 45 O ARG A 3 -1.825 1.587 8.822 1.00 0.00 O ATOM 46 CB ARG A 3 -4.021 0.899 10.734 1.00 0.00 C ATOM 47 CG ARG A 3 -4.449 0.863 12.192 1.00 0.00 C ATOM 48 CD ARG A 3 -3.792 1.975 12.992 1.00 0.00 C ATOM 49 NE ARG A 3 -4.369 2.104 14.328 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.944 2.977 15.239 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.940 3.799 14.963 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.525 3.027 16.430 1.00 0.00 N ATOM 0 H ARG A 3 -1.246 1.204 11.370 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.012 -0.975 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.850 1.935 10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.836 0.522 10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.533 0.958 12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.187 -0.102 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.723 1.778 13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.901 2.919 12.458 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.143 1.489 14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.489 3.764 14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.619 4.466 15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.297 2.397 16.648 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.200 3.696 17.128 1.00 0.00 H new ATOM 66 N VAL A 4 -2.176 -0.538 8.171 1.00 0.00 N ATOM 67 CA VAL A 4 -1.669 -0.319 6.822 1.00 0.00 C ATOM 68 C VAL A 4 -2.764 -0.526 5.782 1.00 0.00 C ATOM 69 O VAL A 4 -3.766 -1.189 6.044 1.00 0.00 O ATOM 70 CB VAL A 4 -0.494 -1.262 6.510 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.142 -0.906 5.175 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.537 -1.215 7.627 1.00 0.00 C ATOM 0 H VAL A 4 -2.491 -1.491 8.355 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.322 0.713 6.776 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.879 -2.279 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.971 -1.585 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.601 -0.996 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.513 0.118 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.361 -1.888 7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.917 -0.198 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.073 -1.525 8.563 1.00 0.00 H new ATOM 82 N LEU A 5 -2.565 0.046 4.598 1.00 0.00 N ATOM 83 CA LEU A 5 -3.534 -0.078 3.518 1.00 0.00 C ATOM 84 C LEU A 5 -2.996 -0.965 2.404 1.00 0.00 C ATOM 85 O LEU A 5 -1.877 -0.771 1.929 1.00 0.00 O ATOM 86 CB LEU A 5 -3.889 1.302 2.960 1.00 0.00 C ATOM 87 CG LEU A 5 -4.983 1.304 1.892 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.292 0.795 2.472 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.157 2.698 1.311 1.00 0.00 C ATOM 0 H LEU A 5 -1.741 0.600 4.364 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.434 -0.540 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.206 1.940 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.989 1.749 2.538 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.683 0.634 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.060 0.803 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.156 -0.223 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.600 1.439 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.940 2.681 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.436 3.391 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.220 3.023 0.859 1.00 0.00 H new ATOM 101 N VAL A 6 -3.796 -1.942 1.994 1.00 0.00 N ATOM 102 CA VAL A 6 -3.392 -2.862 0.935 1.00 0.00 C ATOM 103 C VAL A 6 -4.276 -2.723 -0.299 1.00 0.00 C ATOM 104 O VAL A 6 -5.289 -3.411 -0.431 1.00 0.00 O ATOM 105 CB VAL A 6 -3.435 -4.323 1.412 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.851 -5.245 0.354 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.699 -4.476 2.734 1.00 0.00 C ATOM 0 H VAL A 6 -4.725 -2.118 2.376 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.368 -2.597 0.673 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.476 -4.605 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.889 -6.275 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.429 -5.156 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.815 -4.966 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.740 -5.517 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.659 -4.176 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.170 -3.845 3.488 1.00 0.00 H new ATOM 117 N VAL A 7 -3.888 -1.837 -1.207 1.00 0.00 N ATOM 118 CA VAL A 7 -4.650 -1.621 -2.429 1.00 0.00 C ATOM 119 C VAL A 7 -4.274 -2.639 -3.498 1.00 0.00 C ATOM 120 O VAL A 7 -3.141 -2.663 -3.980 1.00 0.00 O ATOM 121 CB VAL A 7 -4.439 -0.200 -2.986 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.390 0.068 -4.143 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.621 0.836 -1.887 1.00 0.00 C ATOM 0 H VAL A 7 -3.053 -1.258 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.701 -1.743 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.418 -0.125 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.226 1.076 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.207 -0.654 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.419 -0.026 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.468 1.834 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.630 0.762 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.896 0.656 -1.094 1.00 0.00 H new ATOM 133 N ASP A 8 -5.236 -3.480 -3.862 1.00 0.00 N ATOM 134 CA ASP A 8 -5.016 -4.505 -4.873 1.00 0.00 C ATOM 135 C ASP A 8 -6.310 -4.793 -5.629 1.00 0.00 C ATOM 136 O ASP A 8 -7.395 -4.781 -5.048 1.00 0.00 O ATOM 137 CB ASP A 8 -4.480 -5.784 -4.221 1.00 0.00 C ATOM 138 CG ASP A 8 -4.367 -6.938 -5.199 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.237 -6.676 -6.414 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.409 -8.103 -4.751 1.00 0.00 O ATOM 0 H ASP A 8 -6.178 -3.471 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.276 -4.141 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.500 -5.583 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.138 -6.072 -3.401 1.00 0.00 H new ATOM 145 N ASP A 9 -6.188 -5.047 -6.927 1.00 0.00 N ATOM 146 CA ASP A 9 -7.348 -5.333 -7.764 1.00 0.00 C ATOM 147 C ASP A 9 -7.684 -6.821 -7.743 1.00 0.00 C ATOM 148 O ASP A 9 -7.858 -7.446 -8.790 1.00 0.00 O ATOM 149 CB ASP A 9 -7.091 -4.865 -9.200 1.00 0.00 C ATOM 150 CG ASP A 9 -8.283 -5.097 -10.108 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.423 -4.827 -9.675 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.077 -5.548 -11.255 1.00 0.00 O ATOM 0 H ASP A 9 -5.297 -5.061 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.202 -4.788 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.844 -3.803 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.225 -5.392 -9.601 1.00 0.00 H new ATOM 157 N GLU A 10 -7.775 -7.383 -6.542 1.00 0.00 N ATOM 158 CA GLU A 10 -8.093 -8.798 -6.379 1.00 0.00 C ATOM 159 C GLU A 10 -9.262 -9.001 -5.411 1.00 0.00 C ATOM 160 O GLU A 10 -9.605 -10.135 -5.076 1.00 0.00 O ATOM 161 CB GLU A 10 -6.866 -9.561 -5.879 1.00 0.00 C ATOM 162 CG GLU A 10 -6.697 -10.929 -6.522 1.00 0.00 C ATOM 163 CD GLU A 10 -7.041 -12.064 -5.578 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.229 -12.194 -5.214 1.00 0.00 O ATOM 165 OE2 GLU A 10 -6.124 -12.824 -5.204 1.00 0.00 O ATOM 0 H GLU A 10 -7.633 -6.880 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.389 -9.187 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.974 -8.965 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.940 -9.683 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.332 -10.992 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.667 -11.042 -6.860 1.00 0.00 H new ATOM 217 N THR A 14 -5.434 -9.341 0.664 1.00 0.00 N ATOM 218 CA THR A 14 -4.469 -9.933 -0.250 1.00 0.00 C ATOM 219 C THR A 14 -4.013 -11.291 0.279 1.00 0.00 C ATOM 220 O THR A 14 -4.139 -11.575 1.470 1.00 0.00 O ATOM 221 CB THR A 14 -3.274 -8.996 -0.446 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.680 -8.671 0.798 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.643 -7.696 -1.133 1.00 0.00 C ATOM 0 HA THR A 14 -4.945 -10.081 -1.219 1.00 0.00 H new ATOM 0 HB THR A 14 -2.578 -9.543 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.830 -8.208 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.753 -7.077 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.059 -7.910 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.383 -7.165 -0.534 1.00 0.00 H new ATOM 231 N SER A 15 -3.504 -12.138 -0.611 1.00 0.00 N ATOM 232 CA SER A 15 -3.057 -13.473 -0.226 1.00 0.00 C ATOM 233 C SER A 15 -1.767 -13.432 0.588 1.00 0.00 C ATOM 234 O SER A 15 -0.826 -12.714 0.253 1.00 0.00 O ATOM 235 CB SER A 15 -2.855 -14.339 -1.472 1.00 0.00 C ATOM 236 OG SER A 15 -3.387 -15.639 -1.281 1.00 0.00 O ATOM 0 H SER A 15 -3.391 -11.924 -1.602 1.00 0.00 H new ATOM 0 HA SER A 15 -3.833 -13.908 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.337 -13.868 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.792 -14.408 -1.702 1.00 0.00 H new ATOM 0 HG SER A 15 -3.247 -16.172 -2.091 1.00 0.00 H new ATOM 242 N SER A 16 -1.733 -14.231 1.657 1.00 0.00 N ATOM 243 CA SER A 16 -0.561 -14.320 2.530 1.00 0.00 C ATOM 244 C SER A 16 -0.409 -13.091 3.427 1.00 0.00 C ATOM 245 O SER A 16 0.532 -13.011 4.213 1.00 0.00 O ATOM 246 CB SER A 16 0.709 -14.513 1.697 1.00 0.00 C ATOM 247 OG SER A 16 0.466 -15.352 0.581 1.00 0.00 O ATOM 0 H SER A 16 -2.509 -14.829 1.940 1.00 0.00 H new ATOM 0 HA SER A 16 -0.711 -15.184 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.074 -13.544 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.492 -14.947 2.318 1.00 0.00 H new ATOM 0 HG SER A 16 1.292 -15.458 0.065 1.00 0.00 H new ATOM 253 N LEU A 17 -1.330 -12.139 3.315 1.00 0.00 N ATOM 254 CA LEU A 17 -1.267 -10.930 4.131 1.00 0.00 C ATOM 255 C LEU A 17 -2.026 -11.118 5.439 1.00 0.00 C ATOM 256 O LEU A 17 -1.485 -10.889 6.520 1.00 0.00 O ATOM 257 CB LEU A 17 -1.846 -9.739 3.360 1.00 0.00 C ATOM 258 CG LEU A 17 -1.043 -8.427 3.419 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.982 -7.244 3.588 1.00 0.00 C ATOM 260 CD2 LEU A 17 -0.009 -8.440 4.540 1.00 0.00 C ATOM 0 H LEU A 17 -2.122 -12.179 2.674 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.221 -10.732 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.951 -10.028 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.849 -9.542 3.739 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.504 -8.331 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.402 -6.322 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.671 -7.203 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.548 -7.358 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.534 -7.495 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.512 -8.574 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.691 -9.260 4.380 1.00 0.00 H new ATOM 272 N SER A 18 -3.285 -11.532 5.329 1.00 0.00 N ATOM 273 CA SER A 18 -4.132 -11.750 6.500 1.00 0.00 C ATOM 274 C SER A 18 -3.378 -12.504 7.593 1.00 0.00 C ATOM 275 O SER A 18 -3.278 -12.037 8.726 1.00 0.00 O ATOM 276 CB SER A 18 -5.391 -12.526 6.107 1.00 0.00 C ATOM 277 OG SER A 18 -6.436 -12.306 7.039 1.00 0.00 O ATOM 0 H SER A 18 -3.743 -11.724 4.438 1.00 0.00 H new ATOM 0 HA SER A 18 -4.419 -10.774 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.716 -12.220 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.164 -13.591 6.054 1.00 0.00 H new ATOM 0 HG SER A 18 -7.230 -12.811 6.765 1.00 0.00 H new ATOM 283 N ALA A 19 -2.845 -13.670 7.240 1.00 0.00 N ATOM 284 CA ALA A 19 -2.095 -14.487 8.186 1.00 0.00 C ATOM 285 C ALA A 19 -0.957 -13.691 8.819 1.00 0.00 C ATOM 286 O ALA A 19 -0.689 -13.811 10.014 1.00 0.00 O ATOM 287 CB ALA A 19 -1.547 -15.724 7.491 1.00 0.00 C ATOM 0 H ALA A 19 -2.919 -14.070 6.305 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.775 -14.796 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.989 -16.327 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.373 -16.311 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.886 -15.422 6.678 1.00 0.00 H new ATOM 293 N ILE A 20 -0.291 -12.881 8.004 1.00 0.00 N ATOM 294 CA ILE A 20 0.820 -12.062 8.472 1.00 0.00 C ATOM 295 C ILE A 20 0.349 -11.015 9.478 1.00 0.00 C ATOM 296 O ILE A 20 0.671 -11.094 10.662 1.00 0.00 O ATOM 297 CB ILE A 20 1.532 -11.367 7.290 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.290 -12.398 6.456 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.484 -10.284 7.779 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.956 -11.807 5.233 1.00 0.00 C ATOM 0 H ILE A 20 -0.503 -12.774 7.012 1.00 0.00 H new ATOM 0 HA ILE A 20 1.527 -12.727 8.967 1.00 0.00 H new ATOM 0 HB ILE A 20 0.773 -10.892 6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.047 -12.873 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.599 -13.180 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.970 -9.813 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.925 -9.533 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.240 -10.729 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.476 -12.593 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.201 -11.356 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.672 -11.045 5.541 1.00 0.00 H new ATOM 312 N LEU A 21 -0.411 -10.034 9.002 1.00 0.00 N ATOM 313 CA LEU A 21 -0.923 -8.972 9.866 1.00 0.00 C ATOM 314 C LEU A 21 -1.503 -9.543 11.158 1.00 0.00 C ATOM 315 O LEU A 21 -1.472 -8.894 12.203 1.00 0.00 O ATOM 316 CB LEU A 21 -1.987 -8.173 9.126 1.00 0.00 C ATOM 317 CG LEU A 21 -1.538 -7.636 7.769 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.569 -7.952 6.699 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.279 -6.141 7.853 1.00 0.00 C ATOM 0 H LEU A 21 -0.687 -9.951 8.024 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.093 -8.316 10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.864 -8.804 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.296 -7.335 9.751 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.606 -8.129 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.230 -7.561 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.698 -9.032 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.521 -7.490 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.960 -5.772 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.194 -5.630 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.498 -5.948 8.588 1.00 0.00 H new ATOM 331 N GLU A 22 -2.029 -10.762 11.076 1.00 0.00 N ATOM 332 CA GLU A 22 -2.612 -11.422 12.236 1.00 0.00 C ATOM 333 C GLU A 22 -1.532 -11.826 13.234 1.00 0.00 C ATOM 334 O GLU A 22 -1.773 -11.867 14.441 1.00 0.00 O ATOM 335 CB GLU A 22 -3.408 -12.649 11.805 1.00 0.00 C ATOM 336 CG GLU A 22 -4.598 -12.945 12.698 1.00 0.00 C ATOM 337 CD GLU A 22 -5.002 -14.406 12.665 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.303 -15.230 13.292 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.018 -14.726 12.014 1.00 0.00 O ATOM 0 H GLU A 22 -2.063 -11.311 10.217 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.284 -10.715 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.758 -12.504 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.747 -13.516 11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.358 -12.661 13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.443 -12.331 12.387 1.00 0.00 H new ATOM 346 N GLU A 23 -0.338 -12.120 12.726 1.00 0.00 N ATOM 347 CA GLU A 23 0.776 -12.513 13.574 1.00 0.00 C ATOM 348 C GLU A 23 1.444 -11.281 14.173 1.00 0.00 C ATOM 349 O GLU A 23 1.921 -11.308 15.307 1.00 0.00 O ATOM 350 CB GLU A 23 1.786 -13.330 12.761 1.00 0.00 C ATOM 351 CG GLU A 23 3.148 -13.462 13.422 1.00 0.00 C ATOM 352 CD GLU A 23 3.681 -14.881 13.387 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.190 -15.720 14.172 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.592 -15.154 12.577 1.00 0.00 O ATOM 0 H GLU A 23 -0.120 -12.092 11.730 1.00 0.00 H new ATOM 0 HA GLU A 23 0.401 -13.131 14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.378 -14.326 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.911 -12.865 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.855 -12.800 12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.078 -13.130 14.458 1.00 0.00 H new ATOM 361 N GLU A 24 1.474 -10.203 13.398 1.00 0.00 N ATOM 362 CA GLU A 24 2.081 -8.956 13.844 1.00 0.00 C ATOM 363 C GLU A 24 1.105 -8.141 14.684 1.00 0.00 C ATOM 364 O GLU A 24 1.497 -7.491 15.653 1.00 0.00 O ATOM 365 CB GLU A 24 2.544 -8.134 12.642 1.00 0.00 C ATOM 366 CG GLU A 24 3.755 -8.719 11.934 1.00 0.00 C ATOM 367 CD GLU A 24 5.037 -8.528 12.721 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.327 -9.369 13.597 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.752 -7.538 12.460 1.00 0.00 O ATOM 0 H GLU A 24 1.084 -10.168 12.456 1.00 0.00 H new ATOM 0 HA GLU A 24 2.943 -9.204 14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.722 -8.052 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.781 -7.123 12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.593 -9.783 11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.860 -8.251 10.955 1.00 0.00 H new ATOM 376 N GLY A 25 -0.168 -8.177 14.305 1.00 0.00 N ATOM 377 CA GLY A 25 -1.180 -7.435 15.028 1.00 0.00 C ATOM 378 C GLY A 25 -1.418 -6.061 14.435 1.00 0.00 C ATOM 379 O GLY A 25 -1.331 -5.051 15.134 1.00 0.00 O ATOM 0 H GLY A 25 -0.516 -8.709 13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.114 -7.998 15.022 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.877 -7.331 16.070 1.00 0.00 H new ATOM 383 N TYR A 26 -1.712 -6.024 13.140 1.00 0.00 N ATOM 384 CA TYR A 26 -1.957 -4.767 12.445 1.00 0.00 C ATOM 385 C TYR A 26 -3.431 -4.610 12.091 1.00 0.00 C ATOM 386 O TYR A 26 -4.269 -5.420 12.487 1.00 0.00 O ATOM 387 CB TYR A 26 -1.114 -4.698 11.171 1.00 0.00 C ATOM 388 CG TYR A 26 0.322 -4.295 11.410 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.070 -4.876 12.427 1.00 0.00 C ATOM 390 CD2 TYR A 26 0.931 -3.332 10.617 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.382 -4.506 12.646 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.244 -2.958 10.829 1.00 0.00 C ATOM 393 CZ TYR A 26 2.964 -3.548 11.844 1.00 0.00 C ATOM 394 OH TYR A 26 4.273 -3.178 12.060 1.00 0.00 O ATOM 0 H TYR A 26 -1.786 -6.853 12.550 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.675 -3.954 13.114 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.131 -5.672 10.682 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.571 -3.987 10.482 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.618 -5.629 13.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.369 -2.867 9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.950 -4.965 13.442 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.703 -2.207 10.203 1.00 0.00 H new ATOM 0 HH TYR A 26 4.531 -2.493 11.408 1.00 0.00 H new ATOM 404 N HIS A 27 -3.734 -3.562 11.334 1.00 0.00 N ATOM 405 CA HIS A 27 -5.100 -3.286 10.908 1.00 0.00 C ATOM 406 C HIS A 27 -5.132 -2.960 9.417 1.00 0.00 C ATOM 407 O HIS A 27 -5.016 -1.799 9.024 1.00 0.00 O ATOM 408 CB HIS A 27 -5.684 -2.123 11.715 1.00 0.00 C ATOM 409 CG HIS A 27 -7.039 -2.410 12.285 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.261 -2.611 13.631 1.00 0.00 N ATOM 411 CD2 HIS A 27 -8.246 -2.528 11.683 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.547 -2.841 13.833 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.166 -2.796 12.668 1.00 0.00 N ATOM 0 H HIS A 27 -3.047 -2.886 11.001 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.706 -4.174 11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.001 -1.877 12.528 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.747 -1.243 11.075 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.448 -2.430 10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.012 -3.033 14.789 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.166 -2.937 12.522 1.00 0.00 H new ATOM 422 N PRO A 28 -5.276 -3.987 8.564 1.00 0.00 N ATOM 423 CA PRO A 28 -5.308 -3.809 7.114 1.00 0.00 C ATOM 424 C PRO A 28 -6.674 -3.366 6.603 1.00 0.00 C ATOM 425 O PRO A 28 -7.702 -3.945 6.954 1.00 0.00 O ATOM 426 CB PRO A 28 -4.963 -5.202 6.599 1.00 0.00 C ATOM 427 CG PRO A 28 -5.518 -6.126 7.627 1.00 0.00 C ATOM 428 CD PRO A 28 -5.410 -5.406 8.948 1.00 0.00 C ATOM 0 HA PRO A 28 -4.627 -3.027 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.406 -5.385 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.886 -5.330 6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.555 -6.377 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.961 -7.063 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.292 -5.572 9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.549 -5.749 9.521 1.00 0.00 H new ATOM 436 N ASP A 29 -6.673 -2.325 5.775 1.00 0.00 N ATOM 437 CA ASP A 29 -7.918 -1.799 5.223 1.00 0.00 C ATOM 438 C ASP A 29 -8.103 -2.168 3.760 1.00 0.00 C ATOM 439 O ASP A 29 -9.051 -1.722 3.117 1.00 0.00 O ATOM 440 CB ASP A 29 -8.004 -0.289 5.411 1.00 0.00 C ATOM 441 CG ASP A 29 -9.423 0.180 5.666 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.008 -0.230 6.692 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.949 0.958 4.843 1.00 0.00 O ATOM 0 H ASP A 29 -5.832 -1.833 5.474 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.731 -2.266 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.370 0.007 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.614 0.208 4.523 1.00 0.00 H new ATOM 448 N THR A 30 -7.182 -2.977 3.259 1.00 0.00 N ATOM 449 CA THR A 30 -7.167 -3.456 1.867 1.00 0.00 C ATOM 450 C THR A 30 -8.295 -2.898 0.999 1.00 0.00 C ATOM 451 O THR A 30 -9.475 -3.049 1.311 1.00 0.00 O ATOM 452 CB THR A 30 -7.222 -4.982 1.837 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.539 -5.440 2.084 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.306 -5.636 2.849 1.00 0.00 C ATOM 0 H THR A 30 -6.403 -3.332 3.813 1.00 0.00 H new ATOM 0 HA THR A 30 -6.234 -3.088 1.441 1.00 0.00 H new ATOM 0 HB THR A 30 -6.888 -5.264 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.160 -4.683 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.395 -6.720 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.275 -5.342 2.651 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.587 -5.318 3.853 1.00 0.00 H new ATOM 462 N ALA A 31 -7.910 -2.281 -0.113 1.00 0.00 N ATOM 463 CA ALA A 31 -8.869 -1.717 -1.056 1.00 0.00 C ATOM 464 C ALA A 31 -8.951 -2.574 -2.317 1.00 0.00 C ATOM 465 O ALA A 31 -8.513 -3.724 -2.324 1.00 0.00 O ATOM 466 CB ALA A 31 -8.487 -0.287 -1.408 1.00 0.00 C ATOM 0 H ALA A 31 -6.934 -2.158 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.851 -1.708 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.212 0.120 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.479 0.321 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.496 -0.276 -1.861 1.00 0.00 H new ATOM 472 N LYS A 32 -9.514 -2.009 -3.381 1.00 0.00 N ATOM 473 CA LYS A 32 -9.649 -2.729 -4.645 1.00 0.00 C ATOM 474 C LYS A 32 -8.872 -2.028 -5.755 1.00 0.00 C ATOM 475 O LYS A 32 -8.290 -2.679 -6.624 1.00 0.00 O ATOM 476 CB LYS A 32 -11.123 -2.848 -5.039 1.00 0.00 C ATOM 477 CG LYS A 32 -12.061 -3.055 -3.859 1.00 0.00 C ATOM 478 CD LYS A 32 -13.512 -2.828 -4.254 1.00 0.00 C ATOM 479 CE LYS A 32 -14.467 -3.463 -3.257 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.878 -3.415 -3.729 1.00 0.00 N ATOM 0 H LYS A 32 -9.883 -1.058 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.236 -3.728 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.420 -1.946 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.238 -3.681 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.942 -4.067 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.791 -2.372 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.710 -1.758 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.690 -3.245 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.177 -4.500 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.387 -2.948 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.496 -3.858 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.164 -2.425 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.960 -3.928 -4.630 1.00 0.00 H new ATOM 494 N THR A 33 -8.864 -0.701 -5.720 1.00 0.00 N ATOM 495 CA THR A 33 -8.157 0.086 -6.723 1.00 0.00 C ATOM 496 C THR A 33 -7.853 1.482 -6.197 1.00 0.00 C ATOM 497 O THR A 33 -8.196 1.818 -5.064 1.00 0.00 O ATOM 498 CB THR A 33 -8.986 0.180 -8.006 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.865 -0.925 -8.117 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.141 0.224 -9.261 1.00 0.00 C ATOM 0 H THR A 33 -9.339 -0.147 -5.008 1.00 0.00 H new ATOM 0 HA THR A 33 -7.214 -0.414 -6.945 1.00 0.00 H new ATOM 0 HB THR A 33 -9.538 1.116 -7.926 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.387 -0.846 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.790 0.290 -10.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.486 1.095 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.538 -0.681 -9.325 1.00 0.00 H new ATOM 508 N LEU A 34 -7.207 2.294 -7.026 1.00 0.00 N ATOM 509 CA LEU A 34 -6.858 3.656 -6.642 1.00 0.00 C ATOM 510 C LEU A 34 -8.109 4.462 -6.309 1.00 0.00 C ATOM 511 O LEU A 34 -8.167 5.138 -5.283 1.00 0.00 O ATOM 512 CB LEU A 34 -6.074 4.340 -7.764 1.00 0.00 C ATOM 513 CG LEU A 34 -4.828 3.586 -8.232 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.223 4.263 -9.451 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.808 3.493 -7.107 1.00 0.00 C ATOM 0 H LEU A 34 -6.915 2.033 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.232 3.609 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.737 4.481 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.775 5.332 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.121 2.574 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.338 3.713 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.953 4.276 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.944 5.286 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.928 2.954 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.518 4.496 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.246 2.962 -6.262 1.00 0.00 H new ATOM 527 N ARG A 35 -9.110 4.380 -7.180 1.00 0.00 N ATOM 528 CA ARG A 35 -10.361 5.098 -6.969 1.00 0.00 C ATOM 529 C ARG A 35 -10.993 4.693 -5.642 1.00 0.00 C ATOM 530 O ARG A 35 -11.441 5.541 -4.869 1.00 0.00 O ATOM 531 CB ARG A 35 -11.334 4.823 -8.118 1.00 0.00 C ATOM 532 CG ARG A 35 -11.051 5.649 -9.364 1.00 0.00 C ATOM 533 CD ARG A 35 -10.902 4.769 -10.597 1.00 0.00 C ATOM 534 NE ARG A 35 -10.168 5.443 -11.664 1.00 0.00 N ATOM 535 CZ ARG A 35 -10.710 6.342 -12.484 1.00 0.00 C ATOM 536 NH1 ARG A 35 -11.988 6.678 -12.360 1.00 0.00 N ATOM 537 NH2 ARG A 35 -9.970 6.906 -13.430 1.00 0.00 N ATOM 0 H ARG A 35 -9.079 3.825 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.142 6.165 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.290 3.765 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.350 5.027 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.861 6.362 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.140 6.229 -9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.384 3.849 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.889 4.484 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.182 5.212 -11.789 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.560 6.247 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.398 7.367 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.987 6.651 -13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.384 7.595 -14.059 1.00 0.00 H new ATOM 551 N GLU A 36 -11.018 3.390 -5.382 1.00 0.00 N ATOM 552 CA GLU A 36 -11.587 2.868 -4.147 1.00 0.00 C ATOM 553 C GLU A 36 -10.693 3.207 -2.960 1.00 0.00 C ATOM 554 O GLU A 36 -11.175 3.408 -1.845 1.00 0.00 O ATOM 555 CB GLU A 36 -11.773 1.352 -4.242 1.00 0.00 C ATOM 556 CG GLU A 36 -12.484 0.901 -5.507 1.00 0.00 C ATOM 557 CD GLU A 36 -13.963 1.230 -5.492 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.366 2.123 -4.718 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.720 0.593 -6.255 1.00 0.00 O ATOM 0 H GLU A 36 -10.650 2.676 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.561 3.334 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.796 0.871 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.339 1.010 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.018 1.376 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.356 -0.175 -5.628 1.00 0.00 H new ATOM 566 N ALA A 37 -9.387 3.265 -3.206 1.00 0.00 N ATOM 567 CA ALA A 37 -8.427 3.578 -2.156 1.00 0.00 C ATOM 568 C ALA A 37 -8.451 5.062 -1.814 1.00 0.00 C ATOM 569 O ALA A 37 -8.176 5.450 -0.680 1.00 0.00 O ATOM 570 CB ALA A 37 -7.029 3.150 -2.572 1.00 0.00 C ATOM 0 H ALA A 37 -8.971 3.099 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.711 3.023 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.323 3.391 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.017 2.076 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.743 3.677 -3.483 1.00 0.00 H new ATOM 576 N GLU A 38 -8.797 5.891 -2.790 1.00 0.00 N ATOM 577 CA GLU A 38 -8.868 7.327 -2.562 1.00 0.00 C ATOM 578 C GLU A 38 -10.080 7.650 -1.703 1.00 0.00 C ATOM 579 O GLU A 38 -10.013 8.484 -0.800 1.00 0.00 O ATOM 580 CB GLU A 38 -8.939 8.084 -3.887 1.00 0.00 C ATOM 581 CG GLU A 38 -7.646 8.032 -4.687 1.00 0.00 C ATOM 582 CD GLU A 38 -7.855 8.354 -6.154 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.854 9.030 -6.477 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.018 7.930 -6.979 1.00 0.00 O ATOM 0 H GLU A 38 -9.031 5.597 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.965 7.643 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.747 7.669 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.192 9.125 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.932 8.737 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.206 7.039 -4.596 1.00 0.00 H new ATOM 591 N LYS A 39 -11.180 6.961 -1.978 1.00 0.00 N ATOM 592 CA LYS A 39 -12.406 7.149 -1.218 1.00 0.00 C ATOM 593 C LYS A 39 -12.235 6.572 0.185 1.00 0.00 C ATOM 594 O LYS A 39 -12.808 7.076 1.151 1.00 0.00 O ATOM 595 CB LYS A 39 -13.579 6.472 -1.934 1.00 0.00 C ATOM 596 CG LYS A 39 -14.830 6.335 -1.079 1.00 0.00 C ATOM 597 CD LYS A 39 -14.789 5.073 -0.231 1.00 0.00 C ATOM 598 CE LYS A 39 -15.975 4.165 -0.521 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.148 4.489 0.338 1.00 0.00 N ATOM 0 H LYS A 39 -11.247 6.267 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.618 8.215 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.824 7.044 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.267 5.481 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.927 7.207 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.711 6.315 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.862 4.534 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.787 5.343 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.256 4.260 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.684 3.127 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.934 3.848 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.888 4.374 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.442 5.472 0.168 1.00 0.00 H new ATOM 613 N LYS A 40 -11.438 5.512 0.281 1.00 0.00 N ATOM 614 CA LYS A 40 -11.180 4.858 1.557 1.00 0.00 C ATOM 615 C LYS A 40 -10.159 5.650 2.376 1.00 0.00 C ATOM 616 O LYS A 40 -10.277 5.751 3.597 1.00 0.00 O ATOM 617 CB LYS A 40 -10.708 3.413 1.325 1.00 0.00 C ATOM 618 CG LYS A 40 -9.202 3.215 1.389 1.00 0.00 C ATOM 619 CD LYS A 40 -8.809 1.835 0.889 1.00 0.00 C ATOM 620 CE LYS A 40 -9.209 0.748 1.874 1.00 0.00 C ATOM 621 NZ LYS A 40 -10.679 0.509 1.878 1.00 0.00 N ATOM 0 H LYS A 40 -10.959 5.088 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.108 4.827 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.177 2.769 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.062 3.082 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.706 3.977 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.859 3.345 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.284 1.647 -0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.732 1.800 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.692 -0.178 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.885 1.030 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.864 -0.514 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.101 0.956 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.100 0.918 1.019 1.00 0.00 H new ATOM 635 N ILE A 41 -9.162 6.216 1.697 1.00 0.00 N ATOM 636 CA ILE A 41 -8.133 7.001 2.371 1.00 0.00 C ATOM 637 C ILE A 41 -8.662 8.387 2.736 1.00 0.00 C ATOM 638 O ILE A 41 -8.195 9.010 3.689 1.00 0.00 O ATOM 639 CB ILE A 41 -6.869 7.147 1.496 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.257 5.773 1.215 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.847 8.054 2.168 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.517 5.699 -0.102 1.00 0.00 C ATOM 0 H ILE A 41 -9.047 6.145 0.686 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.864 6.466 3.282 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.159 7.603 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.571 5.518 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.049 5.024 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.965 8.142 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.283 9.041 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.560 7.629 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.110 4.697 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.204 5.923 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.703 6.424 -0.103 1.00 0.00 H new ATOM 654 N LYS A 42 -9.635 8.864 1.967 1.00 0.00 N ATOM 655 CA LYS A 42 -10.227 10.177 2.206 1.00 0.00 C ATOM 656 C LYS A 42 -11.087 10.190 3.471 1.00 0.00 C ATOM 657 O LYS A 42 -11.581 11.241 3.877 1.00 0.00 O ATOM 658 CB LYS A 42 -11.068 10.600 1.005 1.00 0.00 C ATOM 659 CG LYS A 42 -10.259 11.238 -0.113 1.00 0.00 C ATOM 660 CD LYS A 42 -10.679 12.679 -0.358 1.00 0.00 C ATOM 661 CE LYS A 42 -11.705 12.778 -1.476 1.00 0.00 C ATOM 662 NZ LYS A 42 -11.479 13.975 -2.332 1.00 0.00 N ATOM 0 H LYS A 42 -10.031 8.362 1.173 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.410 10.885 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.589 9.727 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.831 11.304 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.199 11.206 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.386 10.661 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.096 13.098 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.803 13.276 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.661 11.879 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.706 12.822 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.199 14.006 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.547 14.835 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.533 13.921 -2.762 1.00 0.00 H new ATOM 676 N GLU A 43 -11.267 9.025 4.092 1.00 0.00 N ATOM 677 CA GLU A 43 -12.071 8.927 5.304 1.00 0.00 C ATOM 678 C GLU A 43 -11.193 8.711 6.533 1.00 0.00 C ATOM 679 O GLU A 43 -11.565 9.082 7.646 1.00 0.00 O ATOM 680 CB GLU A 43 -13.082 7.786 5.178 1.00 0.00 C ATOM 681 CG GLU A 43 -13.940 7.869 3.928 1.00 0.00 C ATOM 682 CD GLU A 43 -14.677 6.576 3.639 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.034 5.620 3.159 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.900 6.519 3.894 1.00 0.00 O ATOM 0 H GLU A 43 -10.868 8.141 3.776 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.606 9.869 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.547 6.836 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.730 7.788 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.663 8.677 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.310 8.122 3.075 1.00 0.00 H new ATOM 691 N LEU A 44 -10.028 8.103 6.327 1.00 0.00 N ATOM 692 CA LEU A 44 -9.104 7.835 7.422 1.00 0.00 C ATOM 693 C LEU A 44 -7.674 8.207 7.031 1.00 0.00 C ATOM 694 O LEU A 44 -7.333 8.247 5.849 1.00 0.00 O ATOM 695 CB LEU A 44 -9.190 6.356 7.826 1.00 0.00 C ATOM 696 CG LEU A 44 -7.903 5.739 8.379 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.224 4.562 9.285 1.00 0.00 C ATOM 698 CD2 LEU A 44 -6.991 5.307 7.242 1.00 0.00 C ATOM 0 H LEU A 44 -9.703 7.788 5.413 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.386 8.450 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.973 6.249 8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.502 5.779 6.956 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.383 6.493 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.297 4.135 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.840 4.901 10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.765 3.804 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.080 4.870 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.503 4.567 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.735 6.173 6.632 1.00 0.00 H new ATOM 710 N PHE A 45 -6.842 8.476 8.032 1.00 0.00 N ATOM 711 CA PHE A 45 -5.451 8.842 7.797 1.00 0.00 C ATOM 712 C PHE A 45 -4.553 7.609 7.810 1.00 0.00 C ATOM 713 O PHE A 45 -4.136 7.143 8.871 1.00 0.00 O ATOM 714 CB PHE A 45 -4.978 9.842 8.854 1.00 0.00 C ATOM 715 CG PHE A 45 -3.575 10.330 8.636 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.327 11.425 7.823 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.504 9.693 9.243 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.036 11.876 7.620 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.212 10.140 9.044 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.977 11.232 8.231 1.00 0.00 C ATOM 0 H PHE A 45 -7.109 8.447 9.016 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.386 9.306 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.654 10.697 8.861 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.043 9.376 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.151 11.931 7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.681 8.838 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.855 12.731 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.386 9.636 9.524 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.033 11.582 8.073 1.00 0.00 H new ATOM 730 N PHE A 46 -4.263 7.081 6.625 1.00 0.00 N ATOM 731 CA PHE A 46 -3.421 5.898 6.498 1.00 0.00 C ATOM 732 C PHE A 46 -1.938 6.255 6.615 1.00 0.00 C ATOM 733 O PHE A 46 -1.427 7.064 5.843 1.00 0.00 O ATOM 734 CB PHE A 46 -3.671 5.216 5.155 1.00 0.00 C ATOM 735 CG PHE A 46 -4.906 4.366 5.128 1.00 0.00 C ATOM 736 CD1 PHE A 46 -4.936 3.148 5.784 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.033 4.781 4.439 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.069 2.358 5.756 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.170 3.997 4.407 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.188 2.784 5.065 1.00 0.00 C ATOM 0 H PHE A 46 -4.600 7.455 5.738 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.680 5.219 7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.749 5.978 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.809 4.596 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.064 2.811 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.023 5.728 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.081 1.410 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.043 4.333 3.868 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.075 2.168 5.040 1.00 0.00 H new ATOM 750 N PRO A 47 -1.223 5.646 7.578 1.00 0.00 N ATOM 751 CA PRO A 47 0.206 5.897 7.775 1.00 0.00 C ATOM 752 C PRO A 47 1.065 5.103 6.794 1.00 0.00 C ATOM 753 O PRO A 47 2.220 5.448 6.537 1.00 0.00 O ATOM 754 CB PRO A 47 0.441 5.412 9.202 1.00 0.00 C ATOM 755 CG PRO A 47 -0.542 4.308 9.387 1.00 0.00 C ATOM 756 CD PRO A 47 -1.742 4.656 8.542 1.00 0.00 C ATOM 0 HA PRO A 47 0.474 6.941 7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.464 5.060 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.280 6.212 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.115 3.353 9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.822 4.209 10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.142 3.778 8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.549 5.071 9.146 1.00 0.00 H new ATOM 764 N VAL A 48 0.488 4.042 6.240 1.00 0.00 N ATOM 765 CA VAL A 48 1.183 3.198 5.282 1.00 0.00 C ATOM 766 C VAL A 48 0.215 2.607 4.266 1.00 0.00 C ATOM 767 O VAL A 48 -0.846 2.096 4.622 1.00 0.00 O ATOM 768 CB VAL A 48 1.911 2.051 5.993 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.985 1.449 5.099 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.500 2.551 7.292 1.00 0.00 C ATOM 0 H VAL A 48 -0.467 3.747 6.442 1.00 0.00 H new ATOM 0 HA VAL A 48 1.907 3.828 4.766 1.00 0.00 H new ATOM 0 HB VAL A 48 1.193 1.261 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.486 0.638 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.526 1.061 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.714 2.217 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.017 1.734 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.207 3.355 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.702 2.925 7.933 1.00 0.00 H new ATOM 780 N ILE A 49 0.598 2.675 3.001 1.00 0.00 N ATOM 781 CA ILE A 49 -0.211 2.144 1.916 1.00 0.00 C ATOM 782 C ILE A 49 0.575 1.085 1.156 1.00 0.00 C ATOM 783 O ILE A 49 1.797 1.006 1.279 1.00 0.00 O ATOM 784 CB ILE A 49 -0.646 3.247 0.930 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.995 4.536 1.679 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.827 2.775 0.093 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.244 4.428 2.526 1.00 0.00 C ATOM 0 H ILE A 49 1.475 3.098 2.698 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.106 1.708 2.360 1.00 0.00 H new ATOM 0 HB ILE A 49 0.188 3.459 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.156 4.813 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.125 5.342 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.122 3.565 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.541 1.887 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.664 2.535 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.428 5.379 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.095 4.182 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.111 3.645 3.273 1.00 0.00 H new ATOM 799 N VAL A 50 -0.120 0.277 0.371 1.00 0.00 N ATOM 800 CA VAL A 50 0.532 -0.768 -0.402 1.00 0.00 C ATOM 801 C VAL A 50 -0.285 -1.114 -1.636 1.00 0.00 C ATOM 802 O VAL A 50 -1.267 -1.852 -1.563 1.00 0.00 O ATOM 803 CB VAL A 50 0.759 -2.033 0.443 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.447 -3.117 -0.375 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.574 -1.688 1.677 1.00 0.00 C ATOM 0 H VAL A 50 -1.132 0.324 0.253 1.00 0.00 H new ATOM 0 HA VAL A 50 1.503 -0.384 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.209 -2.422 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.596 -4.001 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.825 -3.376 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.413 -2.752 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.732 -2.588 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.538 -1.280 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.038 -0.949 2.272 1.00 0.00 H new ATOM 815 N LEU A 51 0.128 -0.561 -2.766 1.00 0.00 N ATOM 816 CA LEU A 51 -0.561 -0.792 -4.027 1.00 0.00 C ATOM 817 C LEU A 51 -0.174 -2.138 -4.628 1.00 0.00 C ATOM 818 O LEU A 51 0.828 -2.742 -4.247 1.00 0.00 O ATOM 819 CB LEU A 51 -0.250 0.332 -5.018 1.00 0.00 C ATOM 820 CG LEU A 51 -1.021 0.267 -6.340 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.521 0.326 -6.089 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.592 1.396 -7.265 1.00 0.00 C ATOM 0 H LEU A 51 0.940 0.053 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.632 -0.803 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.463 1.287 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.818 0.316 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.790 -0.682 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.051 0.279 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.819 -0.517 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.769 1.258 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.150 1.333 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.792 2.355 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.474 1.310 -7.474 1.00 0.00 H new ATOM 834 N ASP A 52 -0.983 -2.595 -5.574 1.00 0.00 N ATOM 835 CA ASP A 52 -0.750 -3.864 -6.251 1.00 0.00 C ATOM 836 C ASP A 52 -1.320 -3.820 -7.663 1.00 0.00 C ATOM 837 O ASP A 52 -2.479 -4.171 -7.887 1.00 0.00 O ATOM 838 CB ASP A 52 -1.382 -5.013 -5.464 1.00 0.00 C ATOM 839 CG ASP A 52 -0.812 -6.363 -5.850 1.00 0.00 C ATOM 840 OD1 ASP A 52 -1.232 -6.910 -6.892 1.00 0.00 O ATOM 841 OD2 ASP A 52 0.056 -6.874 -5.111 1.00 0.00 O ATOM 0 H ASP A 52 -1.816 -2.099 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 52 0.325 -4.033 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.226 -4.848 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.459 -5.015 -5.632 1.00 0.00 H new ATOM 846 N VAL A 53 -0.502 -3.371 -8.608 1.00 0.00 N ATOM 847 CA VAL A 53 -0.921 -3.264 -10.000 1.00 0.00 C ATOM 848 C VAL A 53 -1.153 -4.638 -10.626 1.00 0.00 C ATOM 849 O VAL A 53 -0.437 -5.046 -11.541 1.00 0.00 O ATOM 850 CB VAL A 53 0.122 -2.491 -10.833 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.261 -1.068 -10.319 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.464 -3.203 -10.807 1.00 0.00 C ATOM 0 H VAL A 53 0.458 -3.074 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.863 -2.716 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.223 -2.453 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.001 -0.536 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.700 -0.559 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.582 -1.087 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.185 -2.641 -11.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.818 -3.275 -9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.353 -4.204 -11.223 1.00 0.00 H new ATOM 862 N TRP A 54 -2.166 -5.348 -10.133 1.00 0.00 N ATOM 863 CA TRP A 54 -2.494 -6.671 -10.654 1.00 0.00 C ATOM 864 C TRP A 54 -2.798 -6.595 -12.148 1.00 0.00 C ATOM 865 O TRP A 54 -1.945 -6.907 -12.980 1.00 0.00 O ATOM 866 CB TRP A 54 -3.690 -7.257 -9.895 1.00 0.00 C ATOM 867 CG TRP A 54 -4.182 -8.557 -10.459 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.472 -8.881 -10.764 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.392 -9.706 -10.781 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.533 -10.162 -11.258 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.269 -10.689 -11.278 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.027 -10.001 -10.701 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.826 -11.944 -11.691 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.589 -11.247 -11.111 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.486 -12.204 -11.601 1.00 0.00 C ATOM 0 H TRP A 54 -2.771 -5.030 -9.376 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.634 -7.325 -10.510 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.410 -7.406 -8.852 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.506 -6.534 -9.906 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.321 -8.226 -10.636 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.381 -10.642 -11.560 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.328 -9.269 -10.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.516 -12.685 -12.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.537 -11.486 -11.052 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.112 -13.168 -11.914 1.00 0.00 H new ATOM 886 N MET A 55 -4.010 -6.167 -12.483 1.00 0.00 N ATOM 887 CA MET A 55 -4.417 -6.038 -13.875 1.00 0.00 C ATOM 888 C MET A 55 -5.490 -4.957 -14.038 1.00 0.00 C ATOM 889 O MET A 55 -6.523 -5.191 -14.666 1.00 0.00 O ATOM 890 CB MET A 55 -4.938 -7.379 -14.400 1.00 0.00 C ATOM 891 CG MET A 55 -3.861 -8.237 -15.047 1.00 0.00 C ATOM 892 SD MET A 55 -3.951 -9.966 -14.540 1.00 0.00 S ATOM 893 CE MET A 55 -5.081 -10.619 -15.767 1.00 0.00 C ATOM 0 H MET A 55 -4.728 -5.903 -11.808 1.00 0.00 H new ATOM 0 HA MET A 55 -3.544 -5.741 -14.456 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.387 -7.933 -13.576 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.729 -7.193 -15.127 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.955 -8.175 -16.131 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.880 -7.837 -14.789 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.238 -11.682 -15.587 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.034 -10.095 -15.699 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.659 -10.478 -16.762 1.00 0.00 H new ATOM 903 N PRO A 56 -5.263 -3.753 -13.475 1.00 0.00 N ATOM 904 CA PRO A 56 -6.203 -2.648 -13.559 1.00 0.00 C ATOM 905 C PRO A 56 -5.888 -1.707 -14.718 1.00 0.00 C ATOM 906 O PRO A 56 -5.146 -2.062 -15.633 1.00 0.00 O ATOM 907 CB PRO A 56 -6.001 -1.938 -12.218 1.00 0.00 C ATOM 908 CG PRO A 56 -4.628 -2.326 -11.743 1.00 0.00 C ATOM 909 CD PRO A 56 -4.081 -3.354 -12.707 1.00 0.00 C ATOM 0 HA PRO A 56 -7.225 -2.980 -13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.082 -0.857 -12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.762 -2.240 -11.499 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.976 -1.453 -11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.674 -2.735 -10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.307 -2.933 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.636 -4.200 -12.184 1.00 0.00 H new ATOM 917 N ASP A 57 -6.454 -0.505 -14.671 1.00 0.00 N ATOM 918 CA ASP A 57 -6.230 0.487 -15.715 1.00 0.00 C ATOM 919 C ASP A 57 -6.369 1.902 -15.160 1.00 0.00 C ATOM 920 O ASP A 57 -6.987 2.766 -15.782 1.00 0.00 O ATOM 921 CB ASP A 57 -7.212 0.275 -16.866 1.00 0.00 C ATOM 922 CG ASP A 57 -6.875 1.122 -18.077 1.00 0.00 C ATOM 923 OD1 ASP A 57 -6.073 0.664 -18.917 1.00 0.00 O ATOM 924 OD2 ASP A 57 -7.413 2.245 -18.184 1.00 0.00 O ATOM 0 H ASP A 57 -7.071 -0.195 -13.920 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.214 0.364 -16.089 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.212 -0.777 -17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.220 0.514 -16.528 1.00 0.00 H new ATOM 929 N GLY A 58 -5.791 2.130 -13.985 1.00 0.00 N ATOM 930 CA GLY A 58 -5.862 3.441 -13.363 1.00 0.00 C ATOM 931 C GLY A 58 -4.503 4.101 -13.225 1.00 0.00 C ATOM 932 O GLY A 58 -4.413 5.322 -13.089 1.00 0.00 O ATOM 0 H GLY A 58 -5.274 1.431 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.514 4.084 -13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.316 3.346 -12.377 1.00 0.00 H new ATOM 936 N ASP A 59 -3.444 3.298 -13.255 1.00 0.00 N ATOM 937 CA ASP A 59 -2.085 3.818 -13.128 1.00 0.00 C ATOM 938 C ASP A 59 -1.876 4.456 -11.758 1.00 0.00 C ATOM 939 O ASP A 59 -2.610 5.363 -11.366 1.00 0.00 O ATOM 940 CB ASP A 59 -1.800 4.841 -14.233 1.00 0.00 C ATOM 941 CG ASP A 59 -0.569 4.487 -15.044 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.497 4.257 -14.436 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.671 4.441 -16.288 1.00 0.00 O ATOM 0 H ASP A 59 -3.500 2.286 -13.366 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.391 2.984 -13.231 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.663 4.905 -14.896 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.667 5.826 -13.787 1.00 0.00 H new ATOM 948 N GLY A 60 -0.872 3.974 -11.032 1.00 0.00 N ATOM 949 CA GLY A 60 -0.589 4.508 -9.712 1.00 0.00 C ATOM 950 C GLY A 60 0.472 5.593 -9.727 1.00 0.00 C ATOM 951 O GLY A 60 0.976 5.986 -8.676 1.00 0.00 O ATOM 0 H GLY A 60 -0.250 3.224 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.507 4.911 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.263 3.697 -9.060 1.00 0.00 H new ATOM 955 N VAL A 61 0.814 6.080 -10.918 1.00 0.00 N ATOM 956 CA VAL A 61 1.817 7.121 -11.055 1.00 0.00 C ATOM 957 C VAL A 61 1.313 8.446 -10.488 1.00 0.00 C ATOM 958 O VAL A 61 2.050 9.165 -9.813 1.00 0.00 O ATOM 959 CB VAL A 61 2.206 7.316 -12.529 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.311 8.345 -12.654 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.629 5.993 -13.150 1.00 0.00 C ATOM 0 H VAL A 61 0.408 5.767 -11.800 1.00 0.00 H new ATOM 0 HA VAL A 61 2.694 6.804 -10.491 1.00 0.00 H new ATOM 0 HB VAL A 61 1.334 7.683 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.574 8.471 -13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.969 9.297 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.186 8.008 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.901 6.151 -14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.487 5.594 -12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.803 5.284 -13.094 1.00 0.00 H new ATOM 971 N ASN A 62 0.054 8.761 -10.767 1.00 0.00 N ATOM 972 CA ASN A 62 -0.549 10.000 -10.285 1.00 0.00 C ATOM 973 C ASN A 62 -1.215 9.802 -8.921 1.00 0.00 C ATOM 974 O ASN A 62 -1.855 10.714 -8.399 1.00 0.00 O ATOM 975 CB ASN A 62 -1.576 10.515 -11.297 1.00 0.00 C ATOM 976 CG ASN A 62 -1.144 11.816 -11.947 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.490 12.901 -11.481 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.382 11.711 -13.031 1.00 0.00 N ATOM 0 H ASN A 62 -0.570 8.177 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 62 0.246 10.737 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.732 9.761 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.533 10.662 -10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.060 12.551 -13.511 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.119 10.790 -13.382 1.00 0.00 H new ATOM 985 N PHE A 63 -1.067 8.608 -8.348 1.00 0.00 N ATOM 986 CA PHE A 63 -1.663 8.307 -7.052 1.00 0.00 C ATOM 987 C PHE A 63 -0.709 8.648 -5.911 1.00 0.00 C ATOM 988 O PHE A 63 -1.135 9.106 -4.850 1.00 0.00 O ATOM 989 CB PHE A 63 -2.057 6.832 -6.974 1.00 0.00 C ATOM 990 CG PHE A 63 -2.762 6.472 -5.698 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.839 7.222 -5.255 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.347 5.389 -4.941 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.489 6.898 -4.080 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.993 5.060 -3.764 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.066 5.817 -3.334 1.00 0.00 C ATOM 0 H PHE A 63 -0.541 7.838 -8.761 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.556 8.923 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.703 6.591 -7.818 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.162 6.218 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.174 8.069 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.509 4.795 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.328 7.490 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.660 4.213 -3.182 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.573 5.563 -2.415 1.00 0.00 H new ATOM 1005 N ILE A 64 0.584 8.418 -6.131 1.00 0.00 N ATOM 1006 CA ILE A 64 1.598 8.697 -5.117 1.00 0.00 C ATOM 1007 C ILE A 64 1.402 10.080 -4.500 1.00 0.00 C ATOM 1008 O ILE A 64 1.747 10.305 -3.339 1.00 0.00 O ATOM 1009 CB ILE A 64 3.022 8.599 -5.706 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.244 7.221 -6.335 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.065 8.870 -4.629 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.270 7.244 -7.847 1.00 0.00 C ATOM 0 H ILE A 64 0.954 8.039 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 64 1.482 7.942 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 64 3.128 9.355 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.186 6.811 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.454 6.548 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.063 8.797 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.918 9.871 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.962 8.136 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.431 6.234 -8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.319 7.624 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.078 7.891 -8.187 1.00 0.00 H new ATOM 1024 N ASP A 65 0.844 11.000 -5.278 1.00 0.00 N ATOM 1025 CA ASP A 65 0.600 12.355 -4.799 1.00 0.00 C ATOM 1026 C ASP A 65 -0.642 12.395 -3.918 1.00 0.00 C ATOM 1027 O ASP A 65 -0.698 13.143 -2.941 1.00 0.00 O ATOM 1028 CB ASP A 65 0.442 13.318 -5.979 1.00 0.00 C ATOM 1029 CG ASP A 65 1.189 14.620 -5.764 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.413 14.568 -5.518 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.551 15.690 -5.842 1.00 0.00 O ATOM 0 H ASP A 65 0.553 10.833 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 65 1.458 12.668 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.806 12.839 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.616 13.530 -6.133 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.633 11.581 -4.264 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.871 11.518 -3.498 1.00 0.00 C ATOM 1038 C PHE A 66 -2.585 11.102 -2.060 1.00 0.00 C ATOM 1039 O PHE A 66 -3.156 11.650 -1.118 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.848 10.538 -4.145 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.165 10.440 -3.429 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.286 9.679 -2.278 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.279 11.109 -3.907 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.496 9.587 -1.616 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.491 11.020 -3.250 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.601 10.258 -2.103 1.00 0.00 C ATOM 0 H PHE A 66 -1.603 10.956 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.324 12.510 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.026 10.843 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.389 9.550 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.425 9.152 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.200 11.707 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.577 8.991 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.353 11.546 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.548 10.187 -1.589 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.686 10.134 -1.899 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.314 9.653 -0.577 1.00 0.00 C ATOM 1058 C ILE A 67 -0.695 10.784 0.241 1.00 0.00 C ATOM 1059 O ILE A 67 -1.015 10.962 1.416 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.323 8.469 -0.665 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.007 7.252 -1.291 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.226 8.117 0.712 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.016 7.271 -2.803 1.00 0.00 C ATOM 0 H ILE A 67 -1.204 9.670 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.221 9.302 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 67 0.512 8.768 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.502 6.348 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.034 7.198 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.921 7.282 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.747 8.980 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.596 7.838 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.517 6.377 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.547 8.157 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.009 7.293 -3.173 1.00 0.00 H new ATOM 1075 N LYS A 68 0.179 11.556 -0.397 1.00 0.00 N ATOM 1076 CA LYS A 68 0.827 12.679 0.268 1.00 0.00 C ATOM 1077 C LYS A 68 -0.146 13.845 0.412 1.00 0.00 C ATOM 1078 O LYS A 68 -0.010 14.673 1.313 1.00 0.00 O ATOM 1079 CB LYS A 68 2.062 13.123 -0.520 1.00 0.00 C ATOM 1080 CG LYS A 68 3.031 11.990 -0.820 1.00 0.00 C ATOM 1081 CD LYS A 68 4.359 12.184 -0.105 1.00 0.00 C ATOM 1082 CE LYS A 68 4.435 11.350 1.163 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.192 12.046 2.241 1.00 0.00 N ATOM 0 H LYS A 68 0.454 11.425 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 68 1.140 12.357 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.741 13.574 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.584 13.897 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.588 11.042 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.201 11.931 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.176 11.909 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.490 13.237 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.427 11.128 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.913 10.396 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.051 11.505 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.457 12.999 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.597 12.121 3.091 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.130 13.899 -0.481 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.133 14.956 -0.457 1.00 0.00 C ATOM 1099 C GLU A 69 -2.963 14.890 0.820 1.00 0.00 C ATOM 1100 O GLU A 69 -3.295 15.917 1.411 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.045 14.845 -1.678 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.879 16.090 -1.930 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.163 15.789 -2.680 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -6.142 15.362 -2.032 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.189 15.979 -3.914 1.00 0.00 O ATOM 0 H GLU A 69 -1.253 13.220 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.616 15.915 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.436 14.642 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.711 13.992 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.121 16.560 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.290 16.809 -2.499 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.298 13.673 1.239 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.092 13.471 2.447 1.00 0.00 C ATOM 1114 C ASN A 70 -3.346 12.605 3.461 1.00 0.00 C ATOM 1115 O ASN A 70 -3.946 12.076 4.397 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.436 12.820 2.102 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.981 13.283 0.763 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.939 14.055 0.703 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.370 12.811 -0.318 1.00 0.00 N ATOM 0 H ASN A 70 -3.032 12.812 0.760 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.270 14.449 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.318 11.737 2.087 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.159 13.051 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.691 13.086 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.580 12.173 -0.220 1.00 0.00 H new ATOM 1126 N SER A 71 -2.037 12.462 3.271 1.00 0.00 N ATOM 1127 CA SER A 71 -1.219 11.661 4.173 1.00 0.00 C ATOM 1128 C SER A 71 0.268 11.924 3.936 1.00 0.00 C ATOM 1129 O SER A 71 0.987 11.065 3.423 1.00 0.00 O ATOM 1130 CB SER A 71 -1.530 10.172 3.990 1.00 0.00 C ATOM 1131 OG SER A 71 -2.232 9.657 5.109 1.00 0.00 O ATOM 0 H SER A 71 -1.522 12.890 2.502 1.00 0.00 H new ATOM 0 HA SER A 71 -1.458 11.948 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.124 10.029 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.602 9.617 3.852 1.00 0.00 H new ATOM 0 HG SER A 71 -1.930 8.743 5.292 1.00 0.00 H new ATOM 1137 N PRO A 72 0.749 13.123 4.306 1.00 0.00 N ATOM 1138 CA PRO A 72 2.152 13.502 4.133 1.00 0.00 C ATOM 1139 C PRO A 72 3.073 12.765 5.095 1.00 0.00 C ATOM 1140 O PRO A 72 4.284 12.692 4.886 1.00 0.00 O ATOM 1141 CB PRO A 72 2.171 15.012 4.425 1.00 0.00 C ATOM 1142 CG PRO A 72 0.738 15.427 4.520 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.031 14.203 4.918 1.00 0.00 C ATOM 0 HA PRO A 72 2.514 13.249 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.702 15.224 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.684 15.557 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.612 16.221 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.382 15.816 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.091 14.096 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.054 14.227 4.543 1.00 0.00 H new ATOM 1151 N ASP A 73 2.485 12.222 6.147 1.00 0.00 N ATOM 1152 CA ASP A 73 3.238 11.483 7.154 1.00 0.00 C ATOM 1153 C ASP A 73 2.962 9.985 7.053 1.00 0.00 C ATOM 1154 O ASP A 73 3.068 9.256 8.039 1.00 0.00 O ATOM 1155 CB ASP A 73 2.889 11.985 8.552 1.00 0.00 C ATOM 1156 CG ASP A 73 3.980 11.692 9.563 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.961 11.009 9.199 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.855 12.147 10.720 1.00 0.00 O ATOM 0 H ASP A 73 1.483 12.278 6.329 1.00 0.00 H new ATOM 0 HA ASP A 73 4.299 11.650 6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.712 13.060 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.960 11.520 8.880 1.00 0.00 H new ATOM 1163 N SER A 74 2.611 9.536 5.852 1.00 0.00 N ATOM 1164 CA SER A 74 2.320 8.127 5.615 1.00 0.00 C ATOM 1165 C SER A 74 3.481 7.460 4.880 1.00 0.00 C ATOM 1166 O SER A 74 4.599 7.974 4.880 1.00 0.00 O ATOM 1167 CB SER A 74 1.029 7.993 4.803 1.00 0.00 C ATOM 1168 OG SER A 74 0.694 6.633 4.589 1.00 0.00 O ATOM 0 H SER A 74 2.521 10.129 5.027 1.00 0.00 H new ATOM 0 HA SER A 74 2.188 7.627 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.214 8.492 5.327 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.147 8.496 3.843 1.00 0.00 H new ATOM 0 HG SER A 74 -0.261 6.500 4.764 1.00 0.00 H new ATOM 1174 N VAL A 75 3.212 6.325 4.238 1.00 0.00 N ATOM 1175 CA VAL A 75 4.247 5.623 3.489 1.00 0.00 C ATOM 1176 C VAL A 75 3.667 4.856 2.314 1.00 0.00 C ATOM 1177 O VAL A 75 2.646 4.197 2.438 1.00 0.00 O ATOM 1178 CB VAL A 75 5.035 4.635 4.359 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.126 3.990 3.516 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.618 5.336 5.573 1.00 0.00 C ATOM 0 H VAL A 75 2.296 5.877 4.222 1.00 0.00 H new ATOM 0 HA VAL A 75 4.921 6.401 3.131 1.00 0.00 H new ATOM 0 HB VAL A 75 4.365 3.857 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.690 3.286 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.673 3.460 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.797 4.761 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.173 4.618 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.289 6.131 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.811 5.764 6.168 1.00 0.00 H new ATOM 1190 N VAL A 76 4.318 4.967 1.168 1.00 0.00 N ATOM 1191 CA VAL A 76 3.849 4.292 -0.039 1.00 0.00 C ATOM 1192 C VAL A 76 4.780 3.158 -0.446 1.00 0.00 C ATOM 1193 O VAL A 76 5.941 3.383 -0.789 1.00 0.00 O ATOM 1194 CB VAL A 76 3.710 5.272 -1.218 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.926 4.632 -2.354 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.049 6.567 -0.767 1.00 0.00 C ATOM 0 H VAL A 76 5.169 5.515 1.044 1.00 0.00 H new ATOM 0 HA VAL A 76 2.869 3.880 0.201 1.00 0.00 H new ATOM 0 HB VAL A 76 4.708 5.512 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.838 5.339 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.447 3.738 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.931 4.360 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.961 7.245 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.057 6.350 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.656 7.034 0.009 1.00 0.00 H new ATOM 1206 N ILE A 77 4.259 1.935 -0.410 1.00 0.00 N ATOM 1207 CA ILE A 77 5.035 0.758 -0.781 1.00 0.00 C ATOM 1208 C ILE A 77 4.413 0.044 -1.980 1.00 0.00 C ATOM 1209 O ILE A 77 4.208 -1.170 -1.958 1.00 0.00 O ATOM 1210 CB ILE A 77 5.151 -0.233 0.395 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.498 0.508 1.689 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.196 -1.297 0.092 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.863 1.161 1.667 1.00 0.00 C ATOM 0 H ILE A 77 3.300 1.734 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 77 6.032 1.107 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 77 4.187 -0.724 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.742 1.271 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.454 -0.193 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.265 -1.988 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.908 -1.844 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.164 -0.821 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.040 1.667 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.628 0.400 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.906 1.887 0.855 1.00 0.00 H new ATOM 1225 N VAL A 78 4.121 0.807 -3.032 1.00 0.00 N ATOM 1226 CA VAL A 78 3.527 0.254 -4.249 1.00 0.00 C ATOM 1227 C VAL A 78 4.300 -0.972 -4.731 1.00 0.00 C ATOM 1228 O VAL A 78 5.471 -0.875 -5.100 1.00 0.00 O ATOM 1229 CB VAL A 78 3.496 1.305 -5.376 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.793 0.756 -6.610 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.821 2.581 -4.894 1.00 0.00 C ATOM 0 H VAL A 78 4.287 1.813 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 78 2.507 -0.040 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 78 4.524 1.542 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.784 1.516 -7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.323 -0.127 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.768 0.485 -6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.807 3.313 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.799 2.359 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.373 2.987 -4.046 1.00 0.00 H new ATOM 1241 N ILE A 79 3.637 -2.123 -4.722 1.00 0.00 N ATOM 1242 CA ILE A 79 4.259 -3.370 -5.156 1.00 0.00 C ATOM 1243 C ILE A 79 3.654 -3.846 -6.476 1.00 0.00 C ATOM 1244 O ILE A 79 2.756 -3.203 -7.018 1.00 0.00 O ATOM 1245 CB ILE A 79 4.103 -4.483 -4.094 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.043 -3.883 -2.689 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.248 -5.480 -4.191 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.712 -4.895 -1.613 1.00 0.00 C ATOM 0 H ILE A 79 2.668 -2.219 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 79 5.321 -3.166 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 79 3.167 -5.008 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.003 -3.421 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.295 -3.090 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.120 -6.255 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.251 -5.935 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.194 -4.965 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.686 -4.399 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.738 -5.340 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.473 -5.676 -1.601 1.00 0.00 H new ATOM 1260 N THR A 80 4.154 -4.972 -6.987 1.00 0.00 N ATOM 1261 CA THR A 80 3.666 -5.541 -8.244 1.00 0.00 C ATOM 1262 C THR A 80 4.309 -4.851 -9.442 1.00 0.00 C ATOM 1263 O THR A 80 4.028 -3.687 -9.725 1.00 0.00 O ATOM 1264 CB THR A 80 2.140 -5.438 -8.336 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.545 -5.683 -7.074 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.532 -6.409 -9.325 1.00 0.00 C ATOM 0 H THR A 80 4.900 -5.510 -6.547 1.00 0.00 H new ATOM 0 HA THR A 80 3.945 -6.595 -8.259 1.00 0.00 H new ATOM 0 HB THR A 80 1.939 -4.423 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.661 -6.626 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.449 -6.283 -9.340 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.934 -6.215 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.774 -7.430 -9.029 1.00 0.00 H new ATOM 1317 N VAL A 85 11.586 -2.729 -14.597 1.00 0.00 N ATOM 1318 CA VAL A 85 11.026 -1.881 -13.552 1.00 0.00 C ATOM 1319 C VAL A 85 10.956 -0.426 -14.006 1.00 0.00 C ATOM 1320 O VAL A 85 11.627 0.444 -13.448 1.00 0.00 O ATOM 1321 CB VAL A 85 11.854 -1.968 -12.255 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.649 -3.316 -11.580 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.328 -1.727 -12.544 1.00 0.00 C ATOM 0 HA VAL A 85 10.018 -2.244 -13.353 1.00 0.00 H new ATOM 0 HB VAL A 85 11.510 -1.190 -11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.241 -3.359 -10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.595 -3.444 -11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.964 -4.112 -12.254 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.896 -1.792 -11.616 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.689 -2.480 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.456 -0.736 -12.979 1.00 0.00 H new ATOM 1333 N ASP A 86 10.138 -0.167 -15.021 1.00 0.00 N ATOM 1334 CA ASP A 86 9.979 1.184 -15.550 1.00 0.00 C ATOM 1335 C ASP A 86 8.781 1.883 -14.916 1.00 0.00 C ATOM 1336 O ASP A 86 8.697 3.111 -14.921 1.00 0.00 O ATOM 1337 CB ASP A 86 9.820 1.145 -17.069 1.00 0.00 C ATOM 1338 CG ASP A 86 9.724 2.532 -17.677 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.271 3.481 -17.077 1.00 0.00 O ATOM 1340 OD2 ASP A 86 9.103 2.667 -18.751 1.00 0.00 O ATOM 0 H ASP A 86 9.575 -0.874 -15.494 1.00 0.00 H new ATOM 0 HA ASP A 86 10.876 1.751 -15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.667 0.617 -17.507 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.925 0.577 -17.323 1.00 0.00 H new ATOM 1345 N THR A 87 7.864 1.103 -14.347 1.00 0.00 N ATOM 1346 CA THR A 87 6.693 1.669 -13.690 1.00 0.00 C ATOM 1347 C THR A 87 7.053 2.048 -12.263 1.00 0.00 C ATOM 1348 O THR A 87 6.567 3.044 -11.725 1.00 0.00 O ATOM 1349 CB THR A 87 5.516 0.680 -13.713 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.282 1.375 -13.743 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.475 -0.262 -12.523 1.00 0.00 C ATOM 0 H THR A 87 7.910 0.084 -14.329 1.00 0.00 H new ATOM 0 HA THR A 87 6.379 2.562 -14.230 1.00 0.00 H new ATOM 0 HB THR A 87 5.670 0.085 -14.614 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.544 0.731 -13.759 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.616 -0.927 -12.615 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.390 -0.853 -12.495 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.389 0.317 -11.603 1.00 0.00 H new ATOM 1359 N ALA A 88 7.933 1.252 -11.666 1.00 0.00 N ATOM 1360 CA ALA A 88 8.393 1.501 -10.311 1.00 0.00 C ATOM 1361 C ALA A 88 9.032 2.876 -10.228 1.00 0.00 C ATOM 1362 O ALA A 88 8.591 3.739 -9.473 1.00 0.00 O ATOM 1363 CB ALA A 88 9.394 0.434 -9.897 1.00 0.00 C ATOM 0 H ALA A 88 8.342 0.426 -12.104 1.00 0.00 H new ATOM 0 HA ALA A 88 7.540 1.465 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.734 0.629 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.919 -0.546 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.248 0.454 -10.574 1.00 0.00 H new ATOM 1369 N VAL A 89 10.074 3.068 -11.025 1.00 0.00 N ATOM 1370 CA VAL A 89 10.785 4.333 -11.064 1.00 0.00 C ATOM 1371 C VAL A 89 9.834 5.489 -11.367 1.00 0.00 C ATOM 1372 O VAL A 89 10.074 6.625 -10.961 1.00 0.00 O ATOM 1373 CB VAL A 89 11.905 4.305 -12.121 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.870 3.166 -11.840 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.321 4.179 -13.521 1.00 0.00 C ATOM 0 H VAL A 89 10.445 2.358 -11.656 1.00 0.00 H new ATOM 0 HA VAL A 89 11.227 4.485 -10.079 1.00 0.00 H new ATOM 0 HB VAL A 89 12.454 5.245 -12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.655 3.160 -12.596 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.316 3.301 -10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.332 2.218 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.129 4.161 -14.252 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.746 3.256 -13.593 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.669 5.029 -13.721 1.00 0.00 H new ATOM 1385 N LYS A 90 8.753 5.189 -12.083 1.00 0.00 N ATOM 1386 CA LYS A 90 7.768 6.202 -12.439 1.00 0.00 C ATOM 1387 C LYS A 90 6.815 6.487 -11.277 1.00 0.00 C ATOM 1388 O LYS A 90 6.020 7.425 -11.337 1.00 0.00 O ATOM 1389 CB LYS A 90 6.970 5.749 -13.666 1.00 0.00 C ATOM 1390 CG LYS A 90 5.883 6.727 -14.083 1.00 0.00 C ATOM 1391 CD LYS A 90 5.225 6.306 -15.388 1.00 0.00 C ATOM 1392 CE LYS A 90 4.617 7.495 -16.117 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.982 7.505 -17.562 1.00 0.00 N ATOM 0 H LYS A 90 8.539 4.253 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 90 8.303 7.123 -12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.655 5.604 -14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.515 4.781 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.129 6.791 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.312 7.723 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.963 5.824 -16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.449 5.568 -15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.532 7.467 -16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.956 8.420 -15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.549 8.330 -18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.016 7.558 -17.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.636 6.634 -18.013 1.00 0.00 H new ATOM 1407 N ALA A 91 6.889 5.674 -10.226 1.00 0.00 N ATOM 1408 CA ALA A 91 6.018 5.850 -9.069 1.00 0.00 C ATOM 1409 C ALA A 91 6.811 6.099 -7.788 1.00 0.00 C ATOM 1410 O ALA A 91 6.342 6.793 -6.888 1.00 0.00 O ATOM 1411 CB ALA A 91 5.122 4.632 -8.901 1.00 0.00 C ATOM 0 H ALA A 91 7.539 4.892 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 91 5.404 6.732 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.475 4.773 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.510 4.505 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.738 3.745 -8.754 1.00 0.00 H new ATOM 1417 N ILE A 92 8.007 5.522 -7.702 1.00 0.00 N ATOM 1418 CA ILE A 92 8.843 5.683 -6.517 1.00 0.00 C ATOM 1419 C ILE A 92 9.562 7.029 -6.521 1.00 0.00 C ATOM 1420 O ILE A 92 9.603 7.723 -5.506 1.00 0.00 O ATOM 1421 CB ILE A 92 9.871 4.536 -6.380 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.051 4.729 -7.336 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.200 3.194 -6.632 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.075 3.617 -7.261 1.00 0.00 C ATOM 0 H ILE A 92 8.417 4.942 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 92 8.175 5.647 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 92 10.259 4.553 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.674 4.798 -8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.539 5.678 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.935 2.395 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.401 3.045 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.782 3.179 -7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.883 3.818 -7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.479 3.562 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.601 2.669 -7.514 1.00 0.00 H new ATOM 1436 N LYS A 93 10.121 7.398 -7.668 1.00 0.00 N ATOM 1437 CA LYS A 93 10.826 8.667 -7.793 1.00 0.00 C ATOM 1438 C LYS A 93 9.875 9.839 -7.569 1.00 0.00 C ATOM 1439 O LYS A 93 10.309 10.961 -7.305 1.00 0.00 O ATOM 1440 CB LYS A 93 11.481 8.781 -9.171 1.00 0.00 C ATOM 1441 CG LYS A 93 12.760 7.969 -9.304 1.00 0.00 C ATOM 1442 CD LYS A 93 13.108 7.710 -10.761 1.00 0.00 C ATOM 1443 CE LYS A 93 14.242 6.706 -10.893 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.054 5.533 -9.997 1.00 0.00 N ATOM 0 H LYS A 93 10.100 6.839 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 93 11.603 8.699 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.771 8.453 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.703 9.829 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.581 8.500 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.645 7.019 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.228 7.338 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.392 8.647 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.307 6.366 -11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.188 7.194 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.548 4.709 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.443 5.748 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.040 5.321 -9.911 1.00 0.00 H new ATOM 1458 N LYS A 94 8.575 9.574 -7.674 1.00 0.00 N ATOM 1459 CA LYS A 94 7.565 10.606 -7.482 1.00 0.00 C ATOM 1460 C LYS A 94 7.364 10.909 -6.000 1.00 0.00 C ATOM 1461 O LYS A 94 6.951 12.010 -5.635 1.00 0.00 O ATOM 1462 CB LYS A 94 6.239 10.177 -8.108 1.00 0.00 C ATOM 1463 CG LYS A 94 5.198 11.284 -8.147 1.00 0.00 C ATOM 1464 CD LYS A 94 5.351 12.152 -9.387 1.00 0.00 C ATOM 1465 CE LYS A 94 6.508 13.128 -9.245 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.224 14.426 -9.918 1.00 0.00 N ATOM 0 H LYS A 94 8.198 8.651 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 94 7.916 11.513 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.423 9.827 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.838 9.333 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.200 10.847 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.291 11.903 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.514 11.518 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.428 12.704 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.708 13.303 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.409 12.687 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.037 15.064 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.058 14.263 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.379 14.859 -9.494 1.00 0.00 H new ATOM 1480 N GLY A 95 7.659 9.930 -5.147 1.00 0.00 N ATOM 1481 CA GLY A 95 7.500 10.132 -3.717 1.00 0.00 C ATOM 1482 C GLY A 95 7.361 8.839 -2.931 1.00 0.00 C ATOM 1483 O GLY A 95 7.514 8.840 -1.709 1.00 0.00 O ATOM 0 H GLY A 95 8.002 9.008 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.359 10.686 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.620 10.750 -3.542 1.00 0.00 H new ATOM 1487 N ALA A 96 7.069 7.734 -3.615 1.00 0.00 N ATOM 1488 CA ALA A 96 6.914 6.452 -2.940 1.00 0.00 C ATOM 1489 C ALA A 96 8.187 6.068 -2.196 1.00 0.00 C ATOM 1490 O ALA A 96 9.168 6.810 -2.203 1.00 0.00 O ATOM 1491 CB ALA A 96 6.523 5.367 -3.935 1.00 0.00 C ATOM 0 H ALA A 96 6.937 7.702 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 96 6.114 6.551 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.412 4.417 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.579 5.632 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.298 5.274 -4.695 1.00 0.00 H new ATOM 1497 N TYR A 97 8.163 4.909 -1.547 1.00 0.00 N ATOM 1498 CA TYR A 97 9.317 4.438 -0.790 1.00 0.00 C ATOM 1499 C TYR A 97 10.128 3.406 -1.575 1.00 0.00 C ATOM 1500 O TYR A 97 11.212 3.020 -1.141 1.00 0.00 O ATOM 1501 CB TYR A 97 8.864 3.850 0.550 1.00 0.00 C ATOM 1502 CG TYR A 97 9.993 3.279 1.377 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.918 4.112 1.996 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.134 1.908 1.542 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.950 3.594 2.752 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.164 1.382 2.298 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.070 2.230 2.901 1.00 0.00 C ATOM 1508 OH TYR A 97 13.098 1.710 3.654 1.00 0.00 O ATOM 0 H TYR A 97 7.360 4.280 -1.530 1.00 0.00 H new ATOM 0 HA TYR A 97 9.965 5.295 -0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.361 4.627 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.130 3.066 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.828 5.182 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.427 1.241 1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.661 4.256 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.259 0.313 2.416 1.00 0.00 H new ATOM 0 HH TYR A 97 13.339 2.345 4.361 1.00 0.00 H new ATOM 1518 N GLU A 98 9.596 2.974 -2.727 1.00 0.00 N ATOM 1519 CA GLU A 98 10.254 1.983 -3.602 1.00 0.00 C ATOM 1520 C GLU A 98 9.227 1.017 -4.190 1.00 0.00 C ATOM 1521 O GLU A 98 8.022 1.197 -4.018 1.00 0.00 O ATOM 1522 CB GLU A 98 11.332 1.175 -2.862 1.00 0.00 C ATOM 1523 CG GLU A 98 10.796 0.371 -1.686 1.00 0.00 C ATOM 1524 CD GLU A 98 11.903 -0.207 -0.825 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.028 -0.378 -1.340 1.00 0.00 O ATOM 1526 OE2 GLU A 98 11.644 -0.490 0.363 1.00 0.00 O ATOM 0 H GLU A 98 8.697 3.300 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 98 10.737 2.547 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.812 0.495 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.102 1.858 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.160 1.010 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.170 -0.439 -2.059 1.00 0.00 H new ATOM 1533 N PHE A 99 9.717 -0.008 -4.882 1.00 0.00 N ATOM 1534 CA PHE A 99 8.850 -1.008 -5.498 1.00 0.00 C ATOM 1535 C PHE A 99 9.236 -2.412 -5.043 1.00 0.00 C ATOM 1536 O PHE A 99 10.079 -3.062 -5.662 1.00 0.00 O ATOM 1537 CB PHE A 99 8.945 -0.920 -7.021 1.00 0.00 C ATOM 1538 CG PHE A 99 7.632 -0.662 -7.704 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.929 0.507 -7.467 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.109 -1.586 -8.595 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.727 0.750 -8.105 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.907 -1.350 -9.234 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.216 -0.180 -8.990 1.00 0.00 C ATOM 0 H PHE A 99 10.713 -0.168 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 99 7.825 -0.808 -5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.642 -0.125 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.364 -1.851 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.324 1.237 -6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.647 -2.501 -8.792 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.188 1.666 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.509 -2.080 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.277 0.008 -9.490 1.00 0.00 H new ATOM 1553 N LEU A 100 8.617 -2.878 -3.965 1.00 0.00 N ATOM 1554 CA LEU A 100 8.899 -4.204 -3.439 1.00 0.00 C ATOM 1555 C LEU A 100 8.693 -5.270 -4.513 1.00 0.00 C ATOM 1556 O LEU A 100 8.122 -4.998 -5.569 1.00 0.00 O ATOM 1557 CB LEU A 100 7.995 -4.483 -2.243 1.00 0.00 C ATOM 1558 CG LEU A 100 8.417 -5.656 -1.361 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.874 -5.521 -0.946 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.519 -5.734 -0.142 1.00 0.00 C ATOM 0 H LEU A 100 7.916 -2.355 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 100 9.941 -4.239 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.949 -3.585 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.985 -4.670 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 100 8.315 -6.578 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.153 -6.367 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.505 -5.504 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.009 -4.595 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.826 -6.573 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.599 -4.809 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.486 -5.877 -0.460 1.00 0.00 H new ATOM 1572 N GLU A 101 9.164 -6.483 -4.239 1.00 0.00 N ATOM 1573 CA GLU A 101 9.031 -7.583 -5.187 1.00 0.00 C ATOM 1574 C GLU A 101 7.768 -8.393 -4.910 1.00 0.00 C ATOM 1575 O GLU A 101 7.633 -9.012 -3.855 1.00 0.00 O ATOM 1576 CB GLU A 101 10.259 -8.493 -5.119 1.00 0.00 C ATOM 1577 CG GLU A 101 11.578 -7.746 -5.229 1.00 0.00 C ATOM 1578 CD GLU A 101 12.703 -8.435 -4.482 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.556 -8.659 -3.262 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.730 -8.751 -5.117 1.00 0.00 O ATOM 0 H GLU A 101 9.640 -6.728 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 101 8.955 -7.159 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.241 -9.044 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.200 -9.229 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.850 -7.650 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.453 -6.736 -4.839 1.00 0.00 H new ATOM 1654 N VAL A 106 5.552 -12.929 0.641 1.00 0.00 N ATOM 1655 CA VAL A 106 5.048 -11.749 1.335 1.00 0.00 C ATOM 1656 C VAL A 106 5.815 -11.515 2.633 1.00 0.00 C ATOM 1657 O VAL A 106 5.945 -10.380 3.089 1.00 0.00 O ATOM 1658 CB VAL A 106 3.545 -11.887 1.640 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.280 -13.131 2.471 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.019 -10.642 2.338 1.00 0.00 C ATOM 0 HA VAL A 106 5.195 -10.893 0.677 1.00 0.00 H new ATOM 0 HB VAL A 106 3.012 -11.991 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.212 -13.211 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.611 -14.013 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.826 -13.063 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.955 -10.762 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.556 -10.496 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.169 -9.774 1.696 1.00 0.00 H new ATOM 1670 N GLU A 107 6.323 -12.592 3.231 1.00 0.00 N ATOM 1671 CA GLU A 107 7.081 -12.484 4.474 1.00 0.00 C ATOM 1672 C GLU A 107 8.080 -11.333 4.392 1.00 0.00 C ATOM 1673 O GLU A 107 8.370 -10.674 5.391 1.00 0.00 O ATOM 1674 CB GLU A 107 7.808 -13.792 4.767 1.00 0.00 C ATOM 1675 CG GLU A 107 8.161 -13.975 6.232 1.00 0.00 C ATOM 1676 CD GLU A 107 9.302 -14.951 6.440 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.446 -14.616 6.068 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.052 -16.051 6.975 1.00 0.00 O ATOM 0 H GLU A 107 6.224 -13.543 2.876 1.00 0.00 H new ATOM 0 HA GLU A 107 6.383 -12.282 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.183 -14.625 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.722 -13.831 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.431 -13.010 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.283 -14.328 6.772 1.00 0.00 H new ATOM 1685 N ARG A 108 8.584 -11.083 3.184 1.00 0.00 N ATOM 1686 CA ARG A 108 9.527 -9.995 2.959 1.00 0.00 C ATOM 1687 C ARG A 108 8.804 -8.663 3.098 1.00 0.00 C ATOM 1688 O ARG A 108 9.317 -7.719 3.698 1.00 0.00 O ATOM 1689 CB ARG A 108 10.157 -10.104 1.568 1.00 0.00 C ATOM 1690 CG ARG A 108 10.589 -11.514 1.199 1.00 0.00 C ATOM 1691 CD ARG A 108 12.099 -11.673 1.268 1.00 0.00 C ATOM 1692 NE ARG A 108 12.495 -13.054 1.531 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.754 -13.483 1.500 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.743 -12.643 1.219 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.027 -14.757 1.752 1.00 0.00 N ATOM 0 H ARG A 108 8.353 -11.620 2.348 1.00 0.00 H new ATOM 0 HA ARG A 108 10.323 -10.059 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.442 -9.747 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.023 -9.444 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.116 -12.228 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.243 -11.749 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.541 -11.342 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.496 -11.027 2.051 1.00 0.00 H new ATOM 0 HE ARG A 108 11.763 -13.729 1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.540 -11.662 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.706 -12.978 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.272 -15.407 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.992 -15.086 1.728 1.00 0.00 H new ATOM 1709 N PHE A 109 7.593 -8.611 2.550 1.00 0.00 N ATOM 1710 CA PHE A 109 6.765 -7.414 2.618 1.00 0.00 C ATOM 1711 C PHE A 109 6.588 -6.985 4.072 1.00 0.00 C ATOM 1712 O PHE A 109 6.429 -5.800 4.369 1.00 0.00 O ATOM 1713 CB PHE A 109 5.401 -7.683 1.963 1.00 0.00 C ATOM 1714 CG PHE A 109 4.333 -6.691 2.337 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.592 -5.330 2.317 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.069 -7.123 2.711 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.613 -4.418 2.663 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.086 -6.216 3.057 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.358 -4.863 3.033 1.00 0.00 C ATOM 0 H PHE A 109 7.163 -9.390 2.051 1.00 0.00 H new ATOM 0 HA PHE A 109 7.257 -6.606 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.523 -7.678 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.067 -8.682 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.571 -4.978 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.851 -8.181 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.828 -3.360 2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.106 -6.565 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.591 -4.153 3.303 1.00 0.00 H new ATOM 1729 N LEU A 110 6.629 -7.961 4.974 1.00 0.00 N ATOM 1730 CA LEU A 110 6.486 -7.695 6.400 1.00 0.00 C ATOM 1731 C LEU A 110 7.532 -6.690 6.870 1.00 0.00 C ATOM 1732 O LEU A 110 7.246 -5.810 7.682 1.00 0.00 O ATOM 1733 CB LEU A 110 6.621 -8.993 7.190 1.00 0.00 C ATOM 1734 CG LEU A 110 5.535 -9.231 8.241 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.368 -10.719 8.509 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.867 -8.489 9.527 1.00 0.00 C ATOM 0 H LEU A 110 6.760 -8.945 4.741 1.00 0.00 H new ATOM 0 HA LEU A 110 5.497 -7.271 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.616 -9.828 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.592 -8.999 7.686 1.00 0.00 H new ATOM 0 HG LEU A 110 4.591 -8.845 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.591 -10.869 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.084 -11.225 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.309 -11.131 8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.084 -8.669 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.821 -8.845 9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.934 -7.420 9.323 1.00 0.00 H new ATOM 1748 N LEU A 111 8.747 -6.831 6.349 1.00 0.00 N ATOM 1749 CA LEU A 111 9.843 -5.940 6.709 1.00 0.00 C ATOM 1750 C LEU A 111 9.500 -4.493 6.372 1.00 0.00 C ATOM 1751 O LEU A 111 9.467 -3.633 7.253 1.00 0.00 O ATOM 1752 CB LEU A 111 11.124 -6.354 5.989 1.00 0.00 C ATOM 1753 CG LEU A 111 11.802 -7.609 6.543 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.984 -8.849 6.216 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.213 -7.738 5.989 1.00 0.00 C ATOM 0 H LEU A 111 8.997 -7.555 5.675 1.00 0.00 H new ATOM 0 HA LEU A 111 10.001 -6.016 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.894 -6.519 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.832 -5.527 6.035 1.00 0.00 H new ATOM 0 HG LEU A 111 11.863 -7.517 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.483 -9.731 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.993 -8.759 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.889 -8.948 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.682 -8.636 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.172 -7.807 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.798 -6.864 6.275 1.00 0.00 H new ATOM 1767 N THR A 112 9.245 -4.230 5.091 1.00 0.00 N ATOM 1768 CA THR A 112 8.905 -2.884 4.631 1.00 0.00 C ATOM 1769 C THR A 112 7.899 -2.220 5.567 1.00 0.00 C ATOM 1770 O THR A 112 8.084 -1.078 5.984 1.00 0.00 O ATOM 1771 CB THR A 112 8.340 -2.939 3.211 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.260 -3.554 2.328 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.004 -1.576 2.647 1.00 0.00 C ATOM 0 H THR A 112 9.267 -4.933 4.352 1.00 0.00 H new ATOM 0 HA THR A 112 9.817 -2.287 4.632 1.00 0.00 H new ATOM 0 HB THR A 112 7.420 -3.519 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.043 -3.306 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.608 -1.687 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.257 -1.095 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.904 -0.962 2.618 1.00 0.00 H new ATOM 1781 N ILE A 113 6.838 -2.948 5.898 1.00 0.00 N ATOM 1782 CA ILE A 113 5.804 -2.436 6.794 1.00 0.00 C ATOM 1783 C ILE A 113 6.418 -1.968 8.111 1.00 0.00 C ATOM 1784 O ILE A 113 6.534 -0.768 8.363 1.00 0.00 O ATOM 1785 CB ILE A 113 4.733 -3.509 7.078 1.00 0.00 C ATOM 1786 CG1 ILE A 113 3.990 -3.871 5.791 1.00 0.00 C ATOM 1787 CG2 ILE A 113 3.757 -3.026 8.139 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.268 -2.700 5.162 1.00 0.00 C ATOM 0 H ILE A 113 6.670 -3.895 5.560 1.00 0.00 H new ATOM 0 HA ILE A 113 5.328 -1.590 6.298 1.00 0.00 H new ATOM 0 HB ILE A 113 5.231 -4.402 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.701 -4.278 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.269 -4.659 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.010 -3.798 8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.298 -2.815 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.263 -2.118 7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.763 -3.029 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.532 -2.307 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.987 -1.919 4.915 1.00 0.00 H new ATOM 1800 N LYS A 114 6.823 -2.925 8.939 1.00 0.00 N ATOM 1801 CA LYS A 114 7.445 -2.621 10.226 1.00 0.00 C ATOM 1802 C LYS A 114 8.640 -1.681 10.047 1.00 0.00 C ATOM 1803 O LYS A 114 9.085 -1.038 10.998 1.00 0.00 O ATOM 1804 CB LYS A 114 7.883 -3.924 10.908 1.00 0.00 C ATOM 1805 CG LYS A 114 8.849 -3.735 12.077 1.00 0.00 C ATOM 1806 CD LYS A 114 10.310 -3.649 11.629 1.00 0.00 C ATOM 1807 CE LYS A 114 10.664 -4.709 10.596 1.00 0.00 C ATOM 1808 NZ LYS A 114 10.235 -6.070 11.021 1.00 0.00 N ATOM 0 H LYS A 114 6.732 -3.922 8.742 1.00 0.00 H new ATOM 0 HA LYS A 114 6.714 -2.115 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.997 -4.447 11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.354 -4.568 10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.585 -2.826 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.736 -4.565 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.501 -2.661 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.960 -3.760 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.191 -4.461 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.741 -4.705 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.990 -6.754 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.043 -6.070 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.372 -6.338 10.507 1.00 0.00 H new ATOM 1822 N HIS A 115 9.141 -1.593 8.817 1.00 0.00 N ATOM 1823 CA HIS A 115 10.266 -0.722 8.507 1.00 0.00 C ATOM 1824 C HIS A 115 9.779 0.666 8.096 1.00 0.00 C ATOM 1825 O HIS A 115 10.527 1.642 8.158 1.00 0.00 O ATOM 1826 CB HIS A 115 11.116 -1.329 7.390 1.00 0.00 C ATOM 1827 CG HIS A 115 12.396 -0.591 7.144 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.147 -0.028 8.154 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.060 -0.327 5.993 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.215 0.551 7.636 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.187 0.383 6.328 1.00 0.00 N ATOM 0 H HIS A 115 8.783 -2.117 8.019 1.00 0.00 H new ATOM 0 HA HIS A 115 10.877 -0.624 9.404 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.346 -2.365 7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.533 -1.346 6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.759 -0.620 4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.981 1.073 8.189 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.889 0.725 5.672 1.00 0.00 H new ATOM 1840 N ALA A 116 8.519 0.744 7.673 1.00 0.00 N ATOM 1841 CA ALA A 116 7.929 2.009 7.249 1.00 0.00 C ATOM 1842 C ALA A 116 7.439 2.820 8.445 1.00 0.00 C ATOM 1843 O ALA A 116 7.708 4.018 8.547 1.00 0.00 O ATOM 1844 CB ALA A 116 6.783 1.753 6.281 1.00 0.00 C ATOM 0 H ALA A 116 7.888 -0.055 7.615 1.00 0.00 H new ATOM 0 HA ALA A 116 8.701 2.590 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.350 2.704 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.158 1.222 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.020 1.149 6.772 1.00 0.00 H new ATOM 1850 N PHE A 117 6.717 2.163 9.346 1.00 0.00 N ATOM 1851 CA PHE A 117 6.187 2.825 10.534 1.00 0.00 C ATOM 1852 C PHE A 117 7.305 3.471 11.348 1.00 0.00 C ATOM 1853 O PHE A 117 7.093 4.480 12.019 1.00 0.00 O ATOM 1854 CB PHE A 117 5.423 1.825 11.403 1.00 0.00 C ATOM 1855 CG PHE A 117 4.054 1.495 10.877 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.953 2.255 11.241 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.868 0.424 10.019 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.694 1.953 10.758 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.614 0.118 9.534 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.525 0.883 9.903 1.00 0.00 C ATOM 0 H PHE A 117 6.485 1.172 9.277 1.00 0.00 H new ATOM 0 HA PHE A 117 5.505 3.608 10.205 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.004 0.906 11.482 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.328 2.230 12.411 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.081 3.093 11.910 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.715 -0.179 9.726 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.844 2.553 11.049 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.483 -0.720 8.865 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.543 0.644 9.523 1.00 0.00 H new ATOM 1870 N GLU A 118 8.496 2.884 11.282 1.00 0.00 N ATOM 1871 CA GLU A 118 9.647 3.406 12.012 1.00 0.00 C ATOM 1872 C GLU A 118 9.934 4.856 11.625 1.00 0.00 C ATOM 1873 O GLU A 118 10.565 5.594 12.381 1.00 0.00 O ATOM 1874 CB GLU A 118 10.878 2.544 11.750 1.00 0.00 C ATOM 1875 CG GLU A 118 10.824 1.184 12.428 1.00 0.00 C ATOM 1876 CD GLU A 118 11.981 0.288 12.032 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.143 0.706 12.213 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.724 -0.832 11.543 1.00 0.00 O ATOM 0 H GLU A 118 8.690 2.048 10.731 1.00 0.00 H new ATOM 0 HA GLU A 118 9.410 3.376 13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.989 2.401 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.764 3.077 12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.829 1.321 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.885 0.692 12.173 1.00 0.00 H new