USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 433 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 Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -83:sc= 0.154! USER MOD Single : A 23 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-2.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.643 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -174:sc= -9! (180deg=-11!) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0244) USER MOD Single : A 41 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-1.8) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.0824 (180deg=0.0487) USER MOD Single : A 49 SER OG : rot 9:sc= 0.339 USER MOD Single : A 52 THR OG1 : rot -46:sc= 0.962 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0931) USER MOD Single : A 60 SER OG : rot 59:sc= -0.432! USER MOD Single : A 61 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.7) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.930 -14.283 -16.437 1.00 0.00 N ATOM 26 CA ASP A 11 17.048 -15.146 -16.913 1.00 0.00 C ATOM 27 C ASP A 11 18.350 -14.342 -16.910 1.00 0.00 C ATOM 28 O ASP A 11 18.346 -13.133 -17.030 1.00 0.00 O ATOM 29 CB ASP A 11 16.750 -15.626 -18.335 1.00 0.00 C ATOM 30 CG ASP A 11 16.240 -17.068 -18.290 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.294 -17.661 -17.224 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.805 -17.555 -19.319 1.00 0.00 O ATOM 0 HA ASP A 11 17.150 -16.006 -16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.005 -14.980 -18.800 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.650 -15.566 -18.947 1.00 0.00 H new ATOM 37 N ILE A 12 19.465 -15.006 -16.774 1.00 0.00 N ATOM 38 CA ILE A 12 20.767 -14.281 -16.765 1.00 0.00 C ATOM 39 C ILE A 12 21.509 -14.559 -18.074 1.00 0.00 C ATOM 40 O ILE A 12 21.616 -15.688 -18.511 1.00 0.00 O ATOM 41 CB ILE A 12 21.612 -14.768 -15.585 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.742 -14.840 -14.328 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.770 -13.796 -15.352 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.409 -13.423 -13.858 1.00 0.00 C ATOM 0 H ILE A 12 19.531 -16.018 -16.669 1.00 0.00 H new ATOM 0 HA ILE A 12 20.590 -13.210 -16.666 1.00 0.00 H new ATOM 0 HB ILE A 12 22.009 -15.759 -15.807 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.825 -15.390 -14.538 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.266 -15.382 -13.541 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.372 -14.142 -14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.390 -13.747 -16.247 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.374 -12.805 -15.131 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.789 -13.473 -12.963 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.332 -12.889 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.868 -12.896 -14.645 1.00 0.00 H new ATOM 56 N VAL A 13 22.016 -13.538 -18.708 1.00 0.00 N ATOM 57 CA VAL A 13 22.743 -13.741 -19.990 1.00 0.00 C ATOM 58 C VAL A 13 24.082 -13.012 -19.928 1.00 0.00 C ATOM 59 O VAL A 13 24.249 -12.071 -19.178 1.00 0.00 O ATOM 60 CB VAL A 13 21.910 -13.167 -21.139 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.876 -14.203 -21.584 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.194 -11.900 -20.668 1.00 0.00 C ATOM 0 H VAL A 13 21.957 -12.570 -18.392 1.00 0.00 H new ATOM 0 HA VAL A 13 22.910 -14.806 -20.153 1.00 0.00 H new ATOM 0 HB VAL A 13 22.564 -12.923 -21.976 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.282 -13.796 -22.402 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.387 -15.105 -21.920 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.222 -14.447 -20.747 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.601 -11.492 -21.486 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.539 -12.142 -19.831 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.931 -11.162 -20.351 1.00 0.00 H new ATOM 72 N VAL A 14 25.037 -13.424 -20.712 1.00 0.00 N ATOM 73 CA VAL A 14 26.352 -12.727 -20.682 1.00 0.00 C ATOM 74 C VAL A 14 26.575 -12.022 -22.021 1.00 0.00 C ATOM 75 O VAL A 14 26.338 -12.577 -23.076 1.00 0.00 O ATOM 76 CB VAL A 14 27.475 -13.732 -20.423 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.531 -14.742 -21.571 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.811 -12.991 -20.329 1.00 0.00 C ATOM 0 H VAL A 14 24.967 -14.204 -21.365 1.00 0.00 H new ATOM 0 HA VAL A 14 26.356 -11.991 -19.878 1.00 0.00 H new ATOM 0 HB VAL A 14 27.284 -14.257 -19.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.331 -15.458 -21.387 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.580 -15.270 -21.638 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.722 -14.218 -22.508 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.612 -13.707 -20.144 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.002 -12.466 -21.265 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.771 -12.272 -19.511 1.00 0.00 H new ATOM 88 N ALA A 15 27.022 -10.799 -21.981 1.00 0.00 N ATOM 89 CA ALA A 15 27.256 -10.042 -23.240 1.00 0.00 C ATOM 90 C ALA A 15 28.242 -10.792 -24.134 1.00 0.00 C ATOM 91 O ALA A 15 29.384 -11.005 -23.777 1.00 0.00 O ATOM 92 CB ALA A 15 27.833 -8.666 -22.900 1.00 0.00 C ATOM 0 H ALA A 15 27.237 -10.288 -21.124 1.00 0.00 H new ATOM 0 HA ALA A 15 26.309 -9.932 -23.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.006 -8.107 -23.819 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.129 -8.121 -22.271 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.776 -8.788 -22.367 1.00 0.00 H new ATOM 98 N LEU A 16 27.817 -11.170 -25.306 1.00 0.00 N ATOM 99 CA LEU A 16 28.732 -11.878 -26.240 1.00 0.00 C ATOM 100 C LEU A 16 29.411 -10.829 -27.115 1.00 0.00 C ATOM 101 O LEU A 16 30.517 -11.004 -27.585 1.00 0.00 O ATOM 102 CB LEU A 16 27.929 -12.832 -27.127 1.00 0.00 C ATOM 103 CG LEU A 16 27.714 -14.156 -26.394 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.517 -14.884 -27.007 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.966 -15.026 -26.532 1.00 0.00 C ATOM 0 H LEU A 16 26.872 -11.018 -25.658 1.00 0.00 H new ATOM 0 HA LEU A 16 29.471 -12.453 -25.682 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.968 -12.386 -27.382 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.458 -13.005 -28.064 1.00 0.00 H new ATOM 0 HG LEU A 16 27.523 -13.962 -25.339 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.360 -15.829 -26.487 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.626 -14.264 -26.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.711 -15.078 -28.062 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.812 -15.970 -26.009 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.158 -15.222 -27.587 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.820 -14.506 -26.098 1.00 0.00 H new ATOM 117 N TYR A 17 28.736 -9.735 -27.330 1.00 0.00 N ATOM 118 CA TYR A 17 29.303 -8.648 -28.168 1.00 0.00 C ATOM 119 C TYR A 17 29.017 -7.301 -27.500 1.00 0.00 C ATOM 120 O TYR A 17 27.957 -7.092 -26.945 1.00 0.00 O ATOM 121 CB TYR A 17 28.630 -8.674 -29.543 1.00 0.00 C ATOM 122 CG TYR A 17 29.444 -9.528 -30.485 1.00 0.00 C ATOM 123 CD1 TYR A 17 29.210 -10.907 -30.560 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.432 -8.942 -31.286 1.00 0.00 C ATOM 125 CE1 TYR A 17 29.964 -11.699 -31.434 1.00 0.00 C ATOM 126 CE2 TYR A 17 31.185 -9.734 -32.160 1.00 0.00 C ATOM 127 CZ TYR A 17 30.952 -11.112 -32.234 1.00 0.00 C ATOM 128 OH TYR A 17 31.696 -11.892 -33.096 1.00 0.00 O ATOM 0 H TYR A 17 27.806 -9.548 -26.956 1.00 0.00 H new ATOM 0 HA TYR A 17 30.378 -8.788 -28.278 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.618 -9.071 -29.457 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.543 -7.661 -29.936 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.448 -11.359 -29.943 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.613 -7.879 -31.229 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.784 -12.762 -31.491 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.947 -9.282 -32.778 1.00 0.00 H new ATOM 0 HH TYR A 17 32.337 -11.328 -33.577 1.00 0.00 H new ATOM 138 N PRO A 18 29.968 -6.365 -27.575 1.00 0.00 N ATOM 139 CA PRO A 18 29.811 -5.023 -26.997 1.00 0.00 C ATOM 140 C PRO A 18 28.634 -4.273 -27.634 1.00 0.00 C ATOM 141 O PRO A 18 28.392 -4.371 -28.820 1.00 0.00 O ATOM 142 CB PRO A 18 31.141 -4.339 -27.333 1.00 0.00 C ATOM 143 CG PRO A 18 31.646 -5.099 -28.512 1.00 0.00 C ATOM 144 CD PRO A 18 31.273 -6.525 -28.230 1.00 0.00 C ATOM 0 HA PRO A 18 29.596 -5.046 -25.929 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.000 -3.284 -27.568 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.838 -4.389 -26.497 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.190 -4.745 -29.437 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.724 -4.986 -28.625 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.204 -7.118 -29.142 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.999 -7.018 -27.583 1.00 0.00 H new ATOM 152 N TYR A 19 27.892 -3.542 -26.849 1.00 0.00 N ATOM 153 CA TYR A 19 26.718 -2.804 -27.397 1.00 0.00 C ATOM 154 C TYR A 19 26.714 -1.368 -26.876 1.00 0.00 C ATOM 155 O TYR A 19 26.744 -1.135 -25.685 1.00 0.00 O ATOM 156 CB TYR A 19 25.438 -3.499 -26.931 1.00 0.00 C ATOM 157 CG TYR A 19 24.259 -2.989 -27.727 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.557 -1.854 -27.296 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.862 -3.655 -28.892 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.461 -1.388 -28.032 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.766 -3.190 -29.627 1.00 0.00 C ATOM 162 CZ TYR A 19 22.065 -2.056 -29.198 1.00 0.00 C ATOM 163 OH TYR A 19 20.984 -1.598 -29.922 1.00 0.00 O ATOM 0 H TYR A 19 28.048 -3.423 -25.848 1.00 0.00 H new ATOM 0 HA TYR A 19 26.774 -2.794 -28.486 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.533 -4.578 -27.056 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.279 -3.314 -25.869 1.00 0.00 H new ATOM 0 HD1 TYR A 19 23.862 -1.340 -26.397 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.402 -4.529 -29.224 1.00 0.00 H new ATOM 0 HE1 TYR A 19 21.921 -0.513 -27.701 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.461 -3.706 -30.525 1.00 0.00 H new ATOM 0 HH TYR A 19 20.156 -1.943 -29.528 1.00 0.00 H new ATOM 173 N ASP A 20 26.661 -0.401 -27.749 1.00 0.00 N ATOM 174 CA ASP A 20 26.634 1.010 -27.276 1.00 0.00 C ATOM 175 C ASP A 20 25.204 1.536 -27.399 1.00 0.00 C ATOM 176 O ASP A 20 24.705 1.767 -28.482 1.00 0.00 O ATOM 177 CB ASP A 20 27.586 1.866 -28.114 1.00 0.00 C ATOM 178 CG ASP A 20 28.550 2.611 -27.189 1.00 0.00 C ATOM 179 OD1 ASP A 20 28.278 2.663 -26.000 1.00 0.00 O ATOM 180 OD2 ASP A 20 29.544 3.116 -27.684 1.00 0.00 O ATOM 0 H ASP A 20 26.635 -0.525 -28.761 1.00 0.00 H new ATOM 0 HA ASP A 20 26.958 1.059 -26.237 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.144 1.236 -28.807 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.019 2.577 -28.715 1.00 0.00 H new ATOM 185 N GLY A 21 24.542 1.701 -26.285 1.00 0.00 N ATOM 186 CA GLY A 21 23.132 2.187 -26.295 1.00 0.00 C ATOM 187 C GLY A 21 22.879 3.105 -27.489 1.00 0.00 C ATOM 188 O GLY A 21 23.061 4.304 -27.415 1.00 0.00 O ATOM 0 H GLY A 21 24.924 1.517 -25.357 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.451 1.337 -26.334 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.921 2.722 -25.369 1.00 0.00 H new ATOM 192 N ILE A 22 22.430 2.553 -28.581 1.00 0.00 N ATOM 193 CA ILE A 22 22.130 3.392 -29.770 1.00 0.00 C ATOM 194 C ILE A 22 20.773 4.054 -29.552 1.00 0.00 C ATOM 195 O ILE A 22 20.651 5.262 -29.530 1.00 0.00 O ATOM 196 CB ILE A 22 22.074 2.509 -31.019 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.487 2.051 -31.386 1.00 0.00 C ATOM 198 CG2 ILE A 22 21.479 3.307 -32.181 1.00 0.00 C ATOM 199 CD1 ILE A 22 23.503 0.530 -31.554 1.00 0.00 C ATOM 0 H ILE A 22 22.258 1.555 -28.700 1.00 0.00 H new ATOM 0 HA ILE A 22 22.904 4.148 -29.906 1.00 0.00 H new ATOM 0 HB ILE A 22 21.451 1.637 -30.819 1.00 0.00 H new ATOM 0 HG12 ILE A 22 23.809 2.533 -32.309 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.191 2.349 -30.609 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.439 2.679 -33.071 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.472 3.633 -31.921 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.102 4.179 -32.380 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.510 0.203 -31.815 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.199 0.058 -30.620 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.811 0.244 -32.347 1.00 0.00 H new ATOM 211 N HIS A 23 19.755 3.262 -29.382 1.00 0.00 N ATOM 212 CA HIS A 23 18.396 3.822 -29.154 1.00 0.00 C ATOM 213 C HIS A 23 18.367 4.541 -27.804 1.00 0.00 C ATOM 214 O HIS A 23 19.333 4.531 -27.067 1.00 0.00 O ATOM 215 CB HIS A 23 17.372 2.686 -29.146 1.00 0.00 C ATOM 216 CG HIS A 23 16.476 2.809 -30.347 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.969 3.094 -31.611 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.116 2.688 -30.495 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.922 3.134 -32.456 1.00 0.00 C ATOM 220 NE2 HIS A 23 14.769 2.893 -31.827 1.00 0.00 N ATOM 0 H HIS A 23 19.806 2.243 -29.391 1.00 0.00 H new ATOM 0 HA HIS A 23 18.152 4.526 -29.950 1.00 0.00 H new ATOM 0 HB2 HIS A 23 17.882 1.723 -29.157 1.00 0.00 H new ATOM 0 HB3 HIS A 23 16.779 2.723 -28.232 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.421 2.467 -29.698 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.004 3.336 -33.514 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.835 2.865 -32.235 1.00 0.00 H new ATOM 228 N PRO A 24 17.233 5.175 -27.478 1.00 0.00 N ATOM 229 CA PRO A 24 17.071 5.902 -26.214 1.00 0.00 C ATOM 230 C PRO A 24 16.964 4.952 -25.017 1.00 0.00 C ATOM 231 O PRO A 24 17.261 5.316 -23.897 1.00 0.00 O ATOM 232 CB PRO A 24 15.753 6.653 -26.400 1.00 0.00 C ATOM 233 CG PRO A 24 14.998 5.850 -27.407 1.00 0.00 C ATOM 234 CD PRO A 24 16.024 5.235 -28.317 1.00 0.00 C ATOM 0 HA PRO A 24 17.923 6.549 -26.005 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.204 6.728 -25.461 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.923 7.670 -26.752 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.400 5.080 -26.920 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.309 6.481 -27.969 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.719 4.244 -28.654 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.184 5.840 -29.209 1.00 0.00 H new ATOM 242 N ASP A 25 16.530 3.742 -25.244 1.00 0.00 N ATOM 243 CA ASP A 25 16.390 2.777 -24.116 1.00 0.00 C ATOM 244 C ASP A 25 17.404 1.637 -24.263 1.00 0.00 C ATOM 245 O ASP A 25 17.553 0.815 -23.383 1.00 0.00 O ATOM 246 CB ASP A 25 14.975 2.193 -24.128 1.00 0.00 C ATOM 247 CG ASP A 25 14.622 1.682 -22.730 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.930 0.536 -22.444 1.00 0.00 O ATOM 249 OD2 ASP A 25 14.048 2.444 -21.970 1.00 0.00 O ATOM 0 H ASP A 25 16.267 3.380 -26.161 1.00 0.00 H new ATOM 0 HA ASP A 25 16.574 3.299 -23.177 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.259 2.953 -24.440 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.912 1.380 -24.851 1.00 0.00 H new ATOM 254 N ASP A 26 18.098 1.573 -25.366 1.00 0.00 N ATOM 255 CA ASP A 26 19.090 0.477 -25.556 1.00 0.00 C ATOM 256 C ASP A 26 20.155 0.547 -24.459 1.00 0.00 C ATOM 257 O ASP A 26 20.826 1.547 -24.303 1.00 0.00 O ATOM 258 CB ASP A 26 19.765 0.634 -26.918 1.00 0.00 C ATOM 259 CG ASP A 26 19.295 -0.484 -27.851 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.913 -1.536 -27.842 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.325 -0.270 -28.559 1.00 0.00 O ATOM 0 H ASP A 26 18.022 2.230 -26.142 1.00 0.00 H new ATOM 0 HA ASP A 26 18.577 -0.483 -25.505 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.522 1.606 -27.347 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.849 0.597 -26.805 1.00 0.00 H new ATOM 266 N LEU A 27 20.331 -0.505 -23.706 1.00 0.00 N ATOM 267 CA LEU A 27 21.370 -0.486 -22.639 1.00 0.00 C ATOM 268 C LEU A 27 22.693 -0.963 -23.244 1.00 0.00 C ATOM 269 O LEU A 27 22.736 -1.926 -23.983 1.00 0.00 O ATOM 270 CB LEU A 27 20.932 -1.401 -21.484 1.00 0.00 C ATOM 271 CG LEU A 27 22.143 -1.847 -20.657 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.887 -2.963 -21.393 1.00 0.00 C ATOM 273 CD2 LEU A 27 23.083 -0.660 -20.432 1.00 0.00 C ATOM 0 H LEU A 27 19.802 -1.374 -23.784 1.00 0.00 H new ATOM 0 HA LEU A 27 21.500 0.522 -22.244 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.223 -0.874 -20.845 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.415 -2.275 -21.881 1.00 0.00 H new ATOM 0 HG LEU A 27 21.800 -2.219 -19.692 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.747 -3.278 -20.802 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.218 -3.811 -21.540 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.226 -2.597 -22.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.942 -0.983 -19.844 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.425 -0.279 -21.394 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.552 0.128 -19.898 1.00 0.00 H new ATOM 285 N SER A 28 23.769 -0.284 -22.954 1.00 0.00 N ATOM 286 CA SER A 28 25.084 -0.681 -23.531 1.00 0.00 C ATOM 287 C SER A 28 25.736 -1.779 -22.688 1.00 0.00 C ATOM 288 O SER A 28 25.769 -1.713 -21.475 1.00 0.00 O ATOM 289 CB SER A 28 26.003 0.541 -23.554 1.00 0.00 C ATOM 290 OG SER A 28 25.260 1.685 -23.947 1.00 0.00 O ATOM 0 H SER A 28 23.794 0.531 -22.341 1.00 0.00 H new ATOM 0 HA SER A 28 24.926 -1.061 -24.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.440 0.699 -22.568 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.829 0.375 -24.246 1.00 0.00 H new ATOM 0 HG SER A 28 25.848 2.469 -23.960 1.00 0.00 H new ATOM 296 N PHE A 29 26.290 -2.773 -23.327 1.00 0.00 N ATOM 297 CA PHE A 29 26.978 -3.858 -22.574 1.00 0.00 C ATOM 298 C PHE A 29 28.263 -4.226 -23.315 1.00 0.00 C ATOM 299 O PHE A 29 28.336 -4.138 -24.523 1.00 0.00 O ATOM 300 CB PHE A 29 26.072 -5.090 -22.447 1.00 0.00 C ATOM 301 CG PHE A 29 25.349 -5.372 -23.744 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.097 -4.792 -23.988 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.914 -6.236 -24.691 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.411 -5.076 -25.176 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.230 -6.517 -25.881 1.00 0.00 C ATOM 306 CZ PHE A 29 23.978 -5.938 -26.123 1.00 0.00 C ATOM 0 H PHE A 29 26.295 -2.880 -24.341 1.00 0.00 H new ATOM 0 HA PHE A 29 27.212 -3.509 -21.568 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.670 -5.957 -22.165 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.346 -4.930 -21.650 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.660 -4.125 -23.259 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.878 -6.686 -24.504 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.445 -4.630 -25.362 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.668 -7.180 -26.612 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.450 -6.156 -27.040 1.00 0.00 H new ATOM 316 N LYS A 30 29.284 -4.624 -22.607 1.00 0.00 N ATOM 317 CA LYS A 30 30.559 -4.977 -23.291 1.00 0.00 C ATOM 318 C LYS A 30 30.754 -6.490 -23.263 1.00 0.00 C ATOM 319 O LYS A 30 30.479 -7.138 -22.273 1.00 0.00 O ATOM 320 CB LYS A 30 31.727 -4.304 -22.564 1.00 0.00 C ATOM 321 CG LYS A 30 31.759 -2.817 -22.919 1.00 0.00 C ATOM 322 CD LYS A 30 31.170 -2.004 -21.765 1.00 0.00 C ATOM 323 CE LYS A 30 32.274 -1.167 -21.116 1.00 0.00 C ATOM 324 NZ LYS A 30 31.676 0.054 -20.505 1.00 0.00 N ATOM 0 H LYS A 30 29.291 -4.720 -21.592 1.00 0.00 H new ATOM 0 HA LYS A 30 30.522 -4.635 -24.325 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.620 -4.429 -21.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.667 -4.777 -22.848 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.784 -2.501 -23.115 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.190 -2.638 -23.832 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.375 -1.355 -22.132 1.00 0.00 H new ATOM 0 HD3 LYS A 30 30.723 -2.670 -21.027 1.00 0.00 H new ATOM 0 HE2 LYS A 30 32.790 -1.753 -20.355 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.019 -0.887 -21.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 32.426 0.624 -20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 31.203 0.615 -21.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 30.981 -0.224 -19.783 1.00 0.00 H new ATOM 338 N LYS A 31 31.235 -7.062 -24.336 1.00 0.00 N ATOM 339 CA LYS A 31 31.451 -8.534 -24.343 1.00 0.00 C ATOM 340 C LYS A 31 32.052 -8.939 -22.997 1.00 0.00 C ATOM 341 O LYS A 31 32.715 -8.160 -22.344 1.00 0.00 O ATOM 342 CB LYS A 31 32.406 -8.924 -25.469 1.00 0.00 C ATOM 343 CG LYS A 31 33.671 -8.066 -25.387 1.00 0.00 C ATOM 344 CD LYS A 31 34.881 -8.898 -25.814 1.00 0.00 C ATOM 345 CE LYS A 31 35.628 -9.387 -24.572 1.00 0.00 C ATOM 346 NZ LYS A 31 35.801 -10.865 -24.647 1.00 0.00 N ATOM 0 H LYS A 31 31.485 -6.577 -25.198 1.00 0.00 H new ATOM 0 HA LYS A 31 30.501 -9.044 -24.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.665 -9.980 -25.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.922 -8.785 -26.435 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.572 -7.192 -26.030 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.809 -7.699 -24.370 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.557 -9.748 -26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.545 -8.300 -26.439 1.00 0.00 H new ATOM 0 HE2 LYS A 31 36.600 -8.899 -24.504 1.00 0.00 H new ATOM 0 HE3 LYS A 31 35.074 -9.120 -23.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.309 -11.198 -23.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 34.868 -11.322 -24.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.347 -11.108 -25.498 1.00 0.00 H new ATOM 360 N GLY A 32 31.816 -10.147 -22.571 1.00 0.00 N ATOM 361 CA GLY A 32 32.365 -10.593 -21.259 1.00 0.00 C ATOM 362 C GLY A 32 31.512 -10.019 -20.118 1.00 0.00 C ATOM 363 O GLY A 32 31.591 -10.464 -18.991 1.00 0.00 O ATOM 0 H GLY A 32 31.267 -10.845 -23.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.372 -11.682 -21.208 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.398 -10.262 -21.155 1.00 0.00 H new ATOM 367 N GLU A 33 30.698 -9.033 -20.400 1.00 0.00 N ATOM 368 CA GLU A 33 29.846 -8.432 -19.331 1.00 0.00 C ATOM 369 C GLU A 33 28.579 -9.269 -19.145 1.00 0.00 C ATOM 370 O GLU A 33 28.118 -9.929 -20.051 1.00 0.00 O ATOM 371 CB GLU A 33 29.462 -7.004 -19.722 1.00 0.00 C ATOM 372 CG GLU A 33 29.085 -6.215 -18.466 1.00 0.00 C ATOM 373 CD GLU A 33 27.628 -5.761 -18.567 1.00 0.00 C ATOM 374 OE1 GLU A 33 27.297 -5.106 -19.543 1.00 0.00 O ATOM 375 OE2 GLU A 33 26.866 -6.074 -17.667 1.00 0.00 O ATOM 0 H GLU A 33 30.587 -8.619 -21.325 1.00 0.00 H new ATOM 0 HA GLU A 33 30.406 -8.414 -18.396 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.294 -6.519 -20.233 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.625 -7.019 -20.420 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.224 -6.834 -17.580 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.740 -5.350 -18.357 1.00 0.00 H new ATOM 382 N LYS A 34 28.019 -9.250 -17.963 1.00 0.00 N ATOM 383 CA LYS A 34 26.786 -10.045 -17.695 1.00 0.00 C ATOM 384 C LYS A 34 25.573 -9.116 -17.620 1.00 0.00 C ATOM 385 O LYS A 34 25.661 -7.991 -17.173 1.00 0.00 O ATOM 386 CB LYS A 34 26.940 -10.788 -16.367 1.00 0.00 C ATOM 387 CG LYS A 34 25.717 -11.678 -16.137 1.00 0.00 C ATOM 388 CD LYS A 34 25.692 -12.142 -14.680 1.00 0.00 C ATOM 389 CE LYS A 34 26.875 -13.078 -14.422 1.00 0.00 C ATOM 390 NZ LYS A 34 26.554 -13.977 -13.277 1.00 0.00 N ATOM 0 H LYS A 34 28.366 -8.714 -17.168 1.00 0.00 H new ATOM 0 HA LYS A 34 26.639 -10.762 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.847 -11.393 -16.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 27.044 -10.075 -15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 34 24.805 -11.129 -16.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 25.750 -12.540 -16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 34 25.743 -11.282 -14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 34 24.755 -12.656 -14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 34 27.087 -13.668 -15.314 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.771 -12.498 -14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 27.357 -14.614 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 26.372 -13.406 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.709 -14.540 -13.504 1.00 0.00 H new ATOM 404 N MET A 35 24.443 -9.589 -18.062 1.00 0.00 N ATOM 405 CA MET A 35 23.206 -8.760 -18.036 1.00 0.00 C ATOM 406 C MET A 35 22.023 -9.606 -17.576 1.00 0.00 C ATOM 407 O MET A 35 22.005 -10.812 -17.726 1.00 0.00 O ATOM 408 CB MET A 35 22.905 -8.244 -19.440 1.00 0.00 C ATOM 409 CG MET A 35 23.399 -6.801 -19.572 1.00 0.00 C ATOM 410 SD MET A 35 23.270 -6.268 -21.298 1.00 0.00 S ATOM 411 CE MET A 35 23.903 -7.783 -22.060 1.00 0.00 C ATOM 0 H MET A 35 24.322 -10.526 -18.445 1.00 0.00 H new ATOM 0 HA MET A 35 23.359 -7.927 -17.350 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.392 -8.876 -20.183 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.834 -8.292 -19.634 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.808 -6.144 -18.933 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.433 -6.728 -19.235 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.010 -7.633 -23.134 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.874 -8.029 -21.630 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.207 -8.601 -21.876 1.00 0.00 H new ATOM 421 N LYS A 36 21.033 -8.971 -17.025 1.00 0.00 N ATOM 422 CA LYS A 36 19.830 -9.709 -16.553 1.00 0.00 C ATOM 423 C LYS A 36 18.618 -9.217 -17.342 1.00 0.00 C ATOM 424 O LYS A 36 18.411 -8.031 -17.491 1.00 0.00 O ATOM 425 CB LYS A 36 19.614 -9.436 -15.063 1.00 0.00 C ATOM 426 CG LYS A 36 19.641 -10.757 -14.293 1.00 0.00 C ATOM 427 CD LYS A 36 18.675 -10.676 -13.108 1.00 0.00 C ATOM 428 CE LYS A 36 19.056 -9.491 -12.219 1.00 0.00 C ATOM 429 NZ LYS A 36 17.936 -8.509 -12.192 1.00 0.00 N ATOM 0 H LYS A 36 21.003 -7.962 -16.879 1.00 0.00 H new ATOM 0 HA LYS A 36 19.966 -10.780 -16.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.390 -8.769 -14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.659 -8.933 -14.909 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.359 -11.579 -14.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.651 -10.964 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.652 -10.561 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.710 -11.601 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.275 -9.836 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.961 -9.016 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.112 -7.802 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.869 -8.034 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.044 -9.005 -11.992 1.00 0.00 H new ATOM 443 N VAL A 37 17.814 -10.110 -17.845 1.00 0.00 N ATOM 444 CA VAL A 37 16.620 -9.668 -18.622 1.00 0.00 C ATOM 445 C VAL A 37 15.366 -9.826 -17.762 1.00 0.00 C ATOM 446 O VAL A 37 15.028 -10.911 -17.329 1.00 0.00 O ATOM 447 CB VAL A 37 16.489 -10.509 -19.895 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.737 -11.982 -19.565 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.083 -10.346 -20.475 1.00 0.00 C ATOM 0 H VAL A 37 17.929 -11.119 -17.754 1.00 0.00 H new ATOM 0 HA VAL A 37 16.736 -8.621 -18.900 1.00 0.00 H new ATOM 0 HB VAL A 37 17.224 -10.173 -20.626 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.643 -12.579 -20.472 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.740 -12.099 -19.156 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.004 -12.319 -18.832 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.991 -10.945 -21.381 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.347 -10.679 -19.744 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.907 -9.297 -20.714 1.00 0.00 H new ATOM 459 N LEU A 38 14.678 -8.749 -17.504 1.00 0.00 N ATOM 460 CA LEU A 38 13.449 -8.829 -16.663 1.00 0.00 C ATOM 461 C LEU A 38 12.226 -9.087 -17.548 1.00 0.00 C ATOM 462 O LEU A 38 11.397 -9.921 -17.245 1.00 0.00 O ATOM 463 CB LEU A 38 13.264 -7.511 -15.908 1.00 0.00 C ATOM 464 CG LEU A 38 14.633 -6.897 -15.608 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.976 -5.864 -16.682 1.00 0.00 C ATOM 466 CD2 LEU A 38 14.597 -6.215 -14.239 1.00 0.00 C ATOM 0 H LEU A 38 14.913 -7.815 -17.839 1.00 0.00 H new ATOM 0 HA LEU A 38 13.554 -9.648 -15.952 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.666 -6.820 -16.503 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.720 -7.685 -14.979 1.00 0.00 H new ATOM 0 HG LEU A 38 15.389 -7.682 -15.604 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.951 -5.427 -16.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.002 -6.349 -17.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.220 -5.079 -16.687 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.572 -5.777 -14.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.840 -5.431 -14.243 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.353 -6.950 -13.472 1.00 0.00 H new ATOM 478 N GLU A 39 12.101 -8.376 -18.635 1.00 0.00 N ATOM 479 CA GLU A 39 10.924 -8.585 -19.528 1.00 0.00 C ATOM 480 C GLU A 39 11.404 -8.937 -20.936 1.00 0.00 C ATOM 481 O GLU A 39 12.320 -8.334 -21.458 1.00 0.00 O ATOM 482 CB GLU A 39 10.090 -7.303 -19.580 1.00 0.00 C ATOM 483 CG GLU A 39 8.605 -7.666 -19.656 1.00 0.00 C ATOM 484 CD GLU A 39 7.778 -6.575 -18.973 1.00 0.00 C ATOM 485 OE1 GLU A 39 7.853 -5.439 -19.411 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.083 -6.894 -18.022 1.00 0.00 O ATOM 0 H GLU A 39 12.760 -7.661 -18.944 1.00 0.00 H new ATOM 0 HA GLU A 39 10.315 -9.401 -19.139 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.282 -6.695 -18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.375 -6.706 -20.446 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.298 -7.772 -20.697 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.429 -8.627 -19.172 1.00 0.00 H new ATOM 493 N GLU A 40 10.793 -9.911 -21.556 1.00 0.00 N ATOM 494 CA GLU A 40 11.218 -10.304 -22.929 1.00 0.00 C ATOM 495 C GLU A 40 10.119 -9.942 -23.931 1.00 0.00 C ATOM 496 O GLU A 40 8.945 -10.046 -23.640 1.00 0.00 O ATOM 497 CB GLU A 40 11.465 -11.813 -22.972 1.00 0.00 C ATOM 498 CG GLU A 40 11.765 -12.244 -24.408 1.00 0.00 C ATOM 499 CD GLU A 40 10.917 -13.467 -24.762 1.00 0.00 C ATOM 500 OE1 GLU A 40 11.260 -14.550 -24.316 1.00 0.00 O ATOM 501 OE2 GLU A 40 9.938 -13.300 -25.471 1.00 0.00 O ATOM 0 H GLU A 40 10.018 -10.451 -21.170 1.00 0.00 H new ATOM 0 HA GLU A 40 12.135 -9.775 -23.189 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.300 -12.073 -22.322 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.591 -12.345 -22.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.549 -11.427 -25.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.824 -12.479 -24.515 1.00 0.00 H new ATOM 508 N HIS A 41 10.489 -9.524 -25.110 1.00 0.00 N ATOM 509 CA HIS A 41 9.463 -9.165 -26.129 1.00 0.00 C ATOM 510 C HIS A 41 9.524 -10.163 -27.291 1.00 0.00 C ATOM 511 O HIS A 41 9.476 -9.789 -28.446 1.00 0.00 O ATOM 512 CB HIS A 41 9.741 -7.758 -26.658 1.00 0.00 C ATOM 513 CG HIS A 41 9.639 -6.768 -25.530 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.682 -5.767 -25.511 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.368 -6.615 -24.376 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.857 -5.061 -24.379 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.872 -5.536 -23.651 1.00 0.00 N ATOM 0 H HIS A 41 11.457 -9.416 -25.412 1.00 0.00 H new ATOM 0 HA HIS A 41 8.474 -9.196 -25.672 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.735 -7.716 -27.104 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.028 -7.506 -27.443 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.199 -7.237 -24.077 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.251 -4.214 -24.094 1.00 0.00 H new ATOM 0 HE2 HIS A 41 10.211 -5.183 -22.756 1.00 0.00 H new ATOM 525 N GLY A 42 9.622 -11.430 -26.993 1.00 0.00 N ATOM 526 CA GLY A 42 9.675 -12.455 -28.077 1.00 0.00 C ATOM 527 C GLY A 42 10.729 -12.070 -29.120 1.00 0.00 C ATOM 528 O GLY A 42 10.553 -12.298 -30.300 1.00 0.00 O ATOM 0 H GLY A 42 9.668 -11.801 -26.044 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.912 -13.431 -27.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.698 -12.543 -28.552 1.00 0.00 H new ATOM 532 N GLU A 43 11.823 -11.499 -28.698 1.00 0.00 N ATOM 533 CA GLU A 43 12.886 -11.110 -29.672 1.00 0.00 C ATOM 534 C GLU A 43 13.797 -10.054 -29.047 1.00 0.00 C ATOM 535 O GLU A 43 15.007 -10.127 -29.135 1.00 0.00 O ATOM 536 CB GLU A 43 12.240 -10.538 -30.935 1.00 0.00 C ATOM 537 CG GLU A 43 12.295 -11.581 -32.053 1.00 0.00 C ATOM 538 CD GLU A 43 11.066 -11.431 -32.953 1.00 0.00 C ATOM 539 OE1 GLU A 43 9.965 -11.525 -32.438 1.00 0.00 O ATOM 540 OE2 GLU A 43 11.249 -11.225 -34.142 1.00 0.00 O ATOM 0 H GLU A 43 12.029 -11.284 -27.722 1.00 0.00 H new ATOM 0 HA GLU A 43 13.475 -11.990 -29.930 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.206 -10.260 -30.733 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.760 -9.631 -31.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.205 -11.454 -32.639 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.327 -12.584 -31.628 1.00 0.00 H new ATOM 547 N TRP A 44 13.221 -9.073 -28.416 1.00 0.00 N ATOM 548 CA TRP A 44 14.038 -8.003 -27.778 1.00 0.00 C ATOM 549 C TRP A 44 13.592 -7.835 -26.326 1.00 0.00 C ATOM 550 O TRP A 44 12.438 -7.580 -26.045 1.00 0.00 O ATOM 551 CB TRP A 44 13.833 -6.687 -28.531 1.00 0.00 C ATOM 552 CG TRP A 44 14.809 -6.602 -29.661 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.863 -7.457 -30.707 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.869 -5.625 -29.874 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.889 -7.068 -31.550 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.538 -5.943 -31.080 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.309 -4.504 -29.147 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.607 -5.177 -31.547 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.385 -3.731 -29.614 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.033 -4.067 -30.812 1.00 0.00 C ATOM 0 H TRP A 44 12.212 -8.964 -28.313 1.00 0.00 H new ATOM 0 HA TRP A 44 15.093 -8.276 -27.810 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.813 -6.629 -28.912 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.969 -5.843 -27.854 1.00 0.00 H new ATOM 0 HD1 TRP A 44 14.212 -8.305 -30.860 1.00 0.00 H new ATOM 0 HE1 TRP A 44 16.136 -7.553 -32.413 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.816 -4.236 -28.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.102 -5.440 -32.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.715 -2.873 -29.047 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.860 -3.469 -31.166 1.00 0.00 H new ATOM 571 N TRP A 45 14.494 -7.985 -25.398 1.00 0.00 N ATOM 572 CA TRP A 45 14.115 -7.846 -23.963 1.00 0.00 C ATOM 573 C TRP A 45 14.854 -6.664 -23.341 1.00 0.00 C ATOM 574 O TRP A 45 15.785 -6.125 -23.907 1.00 0.00 O ATOM 575 CB TRP A 45 14.497 -9.121 -23.202 1.00 0.00 C ATOM 576 CG TRP A 45 14.728 -10.241 -24.164 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.925 -10.551 -25.209 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.820 -11.204 -24.187 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.455 -11.645 -25.870 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.622 -12.082 -25.277 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.952 -11.398 -23.374 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.515 -13.118 -25.552 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.854 -12.438 -23.650 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.636 -13.297 -24.736 1.00 0.00 C ATOM 0 H TRP A 45 15.477 -8.198 -25.570 1.00 0.00 H new ATOM 0 HA TRP A 45 13.039 -7.682 -23.899 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.397 -8.946 -22.612 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.704 -9.389 -22.503 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.019 -10.030 -25.482 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.035 -12.075 -26.694 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.128 -10.743 -22.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.341 -13.777 -26.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.721 -12.577 -23.022 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.333 -14.096 -24.942 1.00 0.00 H new ATOM 595 N LYS A 46 14.455 -6.277 -22.162 1.00 0.00 N ATOM 596 CA LYS A 46 15.138 -5.150 -21.467 1.00 0.00 C ATOM 597 C LYS A 46 15.920 -5.726 -20.289 1.00 0.00 C ATOM 598 O LYS A 46 15.358 -6.315 -19.387 1.00 0.00 O ATOM 599 CB LYS A 46 14.101 -4.147 -20.958 1.00 0.00 C ATOM 600 CG LYS A 46 14.673 -2.730 -21.032 1.00 0.00 C ATOM 601 CD LYS A 46 13.651 -1.738 -20.470 1.00 0.00 C ATOM 602 CE LYS A 46 13.787 -1.674 -18.948 1.00 0.00 C ATOM 603 NZ LYS A 46 12.556 -1.070 -18.364 1.00 0.00 N ATOM 0 H LYS A 46 13.681 -6.695 -21.647 1.00 0.00 H new ATOM 0 HA LYS A 46 15.810 -4.635 -22.154 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.192 -4.214 -21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.825 -4.385 -19.931 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.602 -2.671 -20.466 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.912 -2.476 -22.065 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.811 -0.750 -20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.642 -2.045 -20.743 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.941 -2.674 -18.544 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.660 -1.082 -18.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.648 -1.026 -17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.428 -0.109 -18.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.731 -1.652 -18.614 1.00 0.00 H new ATOM 617 N ALA A 47 17.214 -5.585 -20.300 1.00 0.00 N ATOM 618 CA ALA A 47 18.031 -6.151 -19.193 1.00 0.00 C ATOM 619 C ALA A 47 18.739 -5.036 -18.423 1.00 0.00 C ATOM 620 O ALA A 47 18.524 -3.863 -18.655 1.00 0.00 O ATOM 621 CB ALA A 47 19.077 -7.102 -19.777 1.00 0.00 C ATOM 0 H ALA A 47 17.742 -5.102 -21.027 1.00 0.00 H new ATOM 0 HA ALA A 47 17.374 -6.688 -18.509 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.679 -7.520 -18.970 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.577 -7.909 -20.312 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.722 -6.555 -20.465 1.00 0.00 H new ATOM 627 N LYS A 48 19.590 -5.409 -17.506 1.00 0.00 N ATOM 628 CA LYS A 48 20.334 -4.395 -16.708 1.00 0.00 C ATOM 629 C LYS A 48 21.785 -4.856 -16.540 1.00 0.00 C ATOM 630 O LYS A 48 22.065 -6.037 -16.496 1.00 0.00 O ATOM 631 CB LYS A 48 19.680 -4.249 -15.331 1.00 0.00 C ATOM 632 CG LYS A 48 20.539 -3.342 -14.448 1.00 0.00 C ATOM 633 CD LYS A 48 19.796 -3.046 -13.145 1.00 0.00 C ATOM 634 CE LYS A 48 18.702 -2.008 -13.406 1.00 0.00 C ATOM 635 NZ LYS A 48 18.662 -1.034 -12.278 1.00 0.00 N ATOM 0 H LYS A 48 19.803 -6.379 -17.275 1.00 0.00 H new ATOM 0 HA LYS A 48 20.312 -3.434 -17.221 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.679 -3.830 -15.435 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.569 -5.228 -14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.493 -3.823 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.762 -2.412 -14.971 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.357 -3.961 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.492 -2.675 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.896 -1.487 -14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.735 -2.501 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.776 -0.492 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.713 -1.547 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.470 -0.383 -12.352 1.00 0.00 H new ATOM 649 N SER A 49 22.713 -3.940 -16.458 1.00 0.00 N ATOM 650 CA SER A 49 24.140 -4.345 -16.308 1.00 0.00 C ATOM 651 C SER A 49 24.485 -4.464 -14.822 1.00 0.00 C ATOM 652 O SER A 49 24.266 -3.550 -14.053 1.00 0.00 O ATOM 653 CB SER A 49 25.042 -3.294 -16.959 1.00 0.00 C ATOM 654 OG SER A 49 26.375 -3.780 -17.009 1.00 0.00 O ATOM 0 H SER A 49 22.546 -2.934 -16.488 1.00 0.00 H new ATOM 0 HA SER A 49 24.296 -5.308 -16.795 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.688 -3.068 -17.965 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.004 -2.364 -16.391 1.00 0.00 H new ATOM 0 HG SER A 49 26.388 -4.725 -16.751 1.00 0.00 H new ATOM 660 N LEU A 50 25.018 -5.580 -14.409 1.00 0.00 N ATOM 661 CA LEU A 50 25.364 -5.741 -12.969 1.00 0.00 C ATOM 662 C LEU A 50 26.557 -4.845 -12.629 1.00 0.00 C ATOM 663 O LEU A 50 26.896 -4.652 -11.478 1.00 0.00 O ATOM 664 CB LEU A 50 25.723 -7.202 -12.688 1.00 0.00 C ATOM 665 CG LEU A 50 24.446 -7.997 -12.413 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.110 -8.861 -13.629 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.658 -8.895 -11.192 1.00 0.00 C ATOM 0 H LEU A 50 25.228 -6.383 -15.002 1.00 0.00 H new ATOM 0 HA LEU A 50 24.509 -5.456 -12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.253 -7.628 -13.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.394 -7.264 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 50 23.624 -7.308 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.200 -9.427 -13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.959 -8.222 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.931 -9.550 -13.824 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.748 -9.462 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.480 -9.584 -11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.897 -8.279 -10.325 1.00 0.00 H new ATOM 679 N LEU A 51 27.201 -4.297 -13.626 1.00 0.00 N ATOM 680 CA LEU A 51 28.376 -3.417 -13.367 1.00 0.00 C ATOM 681 C LEU A 51 27.898 -2.009 -13.015 1.00 0.00 C ATOM 682 O LEU A 51 28.208 -1.479 -11.966 1.00 0.00 O ATOM 683 CB LEU A 51 29.253 -3.360 -14.620 1.00 0.00 C ATOM 684 CG LEU A 51 30.283 -2.239 -14.472 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.226 -2.561 -13.311 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.092 -2.117 -15.766 1.00 0.00 C ATOM 0 H LEU A 51 26.963 -4.422 -14.610 1.00 0.00 H new ATOM 0 HA LEU A 51 28.953 -3.819 -12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.758 -4.315 -14.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.635 -3.187 -15.501 1.00 0.00 H new ATOM 0 HG LEU A 51 29.770 -1.298 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.960 -1.762 -13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.651 -2.649 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.740 -3.502 -13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.826 -1.318 -15.662 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.605 -3.058 -15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.421 -1.888 -16.594 1.00 0.00 H new ATOM 698 N THR A 52 27.145 -1.399 -13.884 1.00 0.00 N ATOM 699 CA THR A 52 26.642 -0.024 -13.603 1.00 0.00 C ATOM 700 C THR A 52 25.139 -0.080 -13.329 1.00 0.00 C ATOM 701 O THR A 52 24.480 0.934 -13.208 1.00 0.00 O ATOM 702 CB THR A 52 26.912 0.878 -14.811 1.00 0.00 C ATOM 703 OG1 THR A 52 26.330 2.154 -14.583 1.00 0.00 O ATOM 704 CG2 THR A 52 26.300 0.253 -16.066 1.00 0.00 C ATOM 0 H THR A 52 26.854 -1.792 -14.779 1.00 0.00 H new ATOM 0 HA THR A 52 27.155 0.381 -12.731 1.00 0.00 H new ATOM 0 HB THR A 52 27.987 0.986 -14.951 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.420 2.041 -14.237 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.493 0.897 -16.924 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.746 -0.726 -16.239 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.224 0.143 -15.930 1.00 0.00 H new ATOM 712 N LYS A 53 24.593 -1.259 -13.222 1.00 0.00 N ATOM 713 CA LYS A 53 23.134 -1.389 -12.947 1.00 0.00 C ATOM 714 C LYS A 53 22.337 -0.596 -13.982 1.00 0.00 C ATOM 715 O LYS A 53 21.224 -0.179 -13.732 1.00 0.00 O ATOM 716 CB LYS A 53 22.832 -0.847 -11.549 1.00 0.00 C ATOM 717 CG LYS A 53 23.301 -1.856 -10.499 1.00 0.00 C ATOM 718 CD LYS A 53 22.190 -2.079 -9.472 1.00 0.00 C ATOM 719 CE LYS A 53 22.756 -2.827 -8.264 1.00 0.00 C ATOM 720 NZ LYS A 53 21.897 -2.571 -7.073 1.00 0.00 N ATOM 0 H LYS A 53 25.096 -2.142 -13.313 1.00 0.00 H new ATOM 0 HA LYS A 53 22.850 -2.440 -13.004 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.335 0.108 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.763 -0.664 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.563 -2.800 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.200 -1.490 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.773 -1.122 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.376 -2.650 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.798 -3.896 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 53 23.777 -2.500 -8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 22.282 -3.080 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 21.879 -1.551 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.930 -2.904 -7.264 1.00 0.00 H new ATOM 734 N LYS A 54 22.887 -0.395 -15.146 1.00 0.00 N ATOM 735 CA LYS A 54 22.145 0.357 -16.191 1.00 0.00 C ATOM 736 C LYS A 54 21.152 -0.595 -16.853 1.00 0.00 C ATOM 737 O LYS A 54 21.439 -1.758 -17.052 1.00 0.00 O ATOM 738 CB LYS A 54 23.126 0.893 -17.235 1.00 0.00 C ATOM 739 CG LYS A 54 22.359 1.679 -18.301 1.00 0.00 C ATOM 740 CD LYS A 54 23.183 2.894 -18.731 1.00 0.00 C ATOM 741 CE LYS A 54 23.069 3.078 -20.246 1.00 0.00 C ATOM 742 NZ LYS A 54 21.657 3.396 -20.602 1.00 0.00 N ATOM 0 H LYS A 54 23.816 -0.718 -15.417 1.00 0.00 H new ATOM 0 HA LYS A 54 21.615 1.199 -15.745 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.867 1.535 -16.758 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.669 0.068 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.155 1.042 -19.161 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.395 2.001 -17.907 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.828 3.788 -18.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 24.227 2.757 -18.448 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.728 3.881 -20.576 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.389 2.171 -20.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.607 3.687 -21.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.064 2.554 -20.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.313 4.170 -19.998 1.00 0.00 H new ATOM 756 N GLU A 55 19.986 -0.123 -17.197 1.00 0.00 N ATOM 757 CA GLU A 55 18.992 -1.024 -17.841 1.00 0.00 C ATOM 758 C GLU A 55 18.610 -0.469 -19.212 1.00 0.00 C ATOM 759 O GLU A 55 18.537 0.726 -19.413 1.00 0.00 O ATOM 760 CB GLU A 55 17.743 -1.125 -16.962 1.00 0.00 C ATOM 761 CG GLU A 55 17.097 0.256 -16.835 1.00 0.00 C ATOM 762 CD GLU A 55 15.753 0.126 -16.116 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.401 -0.985 -15.756 1.00 0.00 O ATOM 764 OE2 GLU A 55 15.098 1.140 -15.938 1.00 0.00 O ATOM 0 H GLU A 55 19.681 0.841 -17.061 1.00 0.00 H new ATOM 0 HA GLU A 55 19.429 -2.015 -17.961 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.035 -1.831 -17.397 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.009 -1.506 -15.976 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.754 0.927 -16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.952 0.694 -17.823 1.00 0.00 H new ATOM 771 N GLY A 56 18.374 -1.333 -20.160 1.00 0.00 N ATOM 772 CA GLY A 56 18.005 -0.863 -21.522 1.00 0.00 C ATOM 773 C GLY A 56 17.444 -2.031 -22.324 1.00 0.00 C ATOM 774 O GLY A 56 17.091 -3.059 -21.782 1.00 0.00 O ATOM 0 H GLY A 56 18.421 -2.346 -20.049 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.266 -0.064 -21.456 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.878 -0.448 -22.025 1.00 0.00 H new ATOM 778 N PHE A 57 17.365 -1.884 -23.613 1.00 0.00 N ATOM 779 CA PHE A 57 16.829 -2.994 -24.447 1.00 0.00 C ATOM 780 C PHE A 57 17.986 -3.818 -25.010 1.00 0.00 C ATOM 781 O PHE A 57 18.950 -3.292 -25.531 1.00 0.00 O ATOM 782 CB PHE A 57 15.987 -2.426 -25.591 1.00 0.00 C ATOM 783 CG PHE A 57 14.533 -2.759 -25.357 1.00 0.00 C ATOM 784 CD1 PHE A 57 14.130 -4.096 -25.243 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.587 -1.732 -25.254 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.782 -4.404 -25.027 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.240 -2.041 -25.036 1.00 0.00 C ATOM 788 CZ PHE A 57 11.837 -3.377 -24.923 1.00 0.00 C ATOM 0 H PHE A 57 17.646 -1.048 -24.125 1.00 0.00 H new ATOM 0 HA PHE A 57 16.200 -3.635 -23.830 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.119 -1.346 -25.653 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.318 -2.842 -26.542 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.859 -4.889 -25.322 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.897 -0.701 -25.343 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.471 -5.435 -24.941 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.511 -1.249 -24.955 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.797 -3.615 -24.756 1.00 0.00 H new ATOM 798 N ILE A 58 17.888 -5.115 -24.908 1.00 0.00 N ATOM 799 CA ILE A 58 18.962 -6.004 -25.433 1.00 0.00 C ATOM 800 C ILE A 58 18.330 -7.017 -26.387 1.00 0.00 C ATOM 801 O ILE A 58 17.289 -7.574 -26.099 1.00 0.00 O ATOM 802 CB ILE A 58 19.619 -6.748 -24.268 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.544 -7.432 -23.422 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.396 -5.754 -23.402 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.174 -8.580 -22.628 1.00 0.00 C ATOM 0 H ILE A 58 17.101 -5.602 -24.479 1.00 0.00 H new ATOM 0 HA ILE A 58 19.715 -5.414 -25.956 1.00 0.00 H new ATOM 0 HB ILE A 58 20.302 -7.501 -24.660 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.088 -6.712 -22.742 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.749 -7.812 -24.063 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.864 -6.283 -22.572 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.165 -5.270 -24.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.713 -4.999 -23.012 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.409 -9.068 -22.025 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.609 -9.304 -23.317 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.954 -8.186 -21.976 1.00 0.00 H new ATOM 817 N PRO A 59 18.957 -7.262 -27.545 1.00 0.00 N ATOM 818 CA PRO A 59 18.422 -8.209 -28.519 1.00 0.00 C ATOM 819 C PRO A 59 18.707 -9.654 -28.101 1.00 0.00 C ATOM 820 O PRO A 59 19.508 -9.905 -27.222 1.00 0.00 O ATOM 821 CB PRO A 59 19.169 -7.867 -29.804 1.00 0.00 C ATOM 822 CG PRO A 59 20.454 -7.242 -29.356 1.00 0.00 C ATOM 823 CD PRO A 59 20.218 -6.646 -27.990 1.00 0.00 C ATOM 0 HA PRO A 59 17.339 -8.135 -28.620 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.353 -8.759 -30.402 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.592 -7.181 -30.424 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.249 -7.987 -29.317 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.772 -6.473 -30.060 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.037 -6.875 -27.308 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.137 -5.560 -28.037 1.00 0.00 H new ATOM 831 N SER A 60 18.064 -10.607 -28.715 1.00 0.00 N ATOM 832 CA SER A 60 18.318 -12.022 -28.332 1.00 0.00 C ATOM 833 C SER A 60 19.427 -12.603 -29.211 1.00 0.00 C ATOM 834 O SER A 60 19.471 -13.791 -29.466 1.00 0.00 O ATOM 835 CB SER A 60 17.040 -12.841 -28.500 1.00 0.00 C ATOM 836 OG SER A 60 17.272 -14.175 -28.074 1.00 0.00 O ATOM 0 H SER A 60 17.380 -10.469 -29.459 1.00 0.00 H new ATOM 0 HA SER A 60 18.631 -12.061 -27.289 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.232 -12.398 -27.918 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.724 -12.831 -29.543 1.00 0.00 H new ATOM 0 HG SER A 60 17.554 -14.174 -27.135 1.00 0.00 H new ATOM 842 N ASN A 61 20.331 -11.780 -29.669 1.00 0.00 N ATOM 843 CA ASN A 61 21.439 -12.299 -30.519 1.00 0.00 C ATOM 844 C ASN A 61 22.746 -11.587 -30.156 1.00 0.00 C ATOM 845 O ASN A 61 23.786 -11.856 -30.724 1.00 0.00 O ATOM 846 CB ASN A 61 21.113 -12.050 -31.992 1.00 0.00 C ATOM 847 CG ASN A 61 22.101 -12.820 -32.871 1.00 0.00 C ATOM 848 OD1 ASN A 61 23.104 -12.280 -33.294 1.00 0.00 O ATOM 849 ND2 ASN A 61 21.859 -14.068 -33.165 1.00 0.00 N ATOM 0 H ASN A 61 20.350 -10.776 -29.492 1.00 0.00 H new ATOM 0 HA ASN A 61 21.553 -13.369 -30.348 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.093 -12.368 -32.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.168 -10.984 -32.212 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.512 -14.590 -33.750 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.017 -14.522 -32.810 1.00 0.00 H new ATOM 856 N TYR A 62 22.707 -10.685 -29.212 1.00 0.00 N ATOM 857 CA TYR A 62 23.954 -9.968 -28.817 1.00 0.00 C ATOM 858 C TYR A 62 24.518 -10.584 -27.535 1.00 0.00 C ATOM 859 O TYR A 62 25.709 -10.561 -27.299 1.00 0.00 O ATOM 860 CB TYR A 62 23.647 -8.489 -28.569 1.00 0.00 C ATOM 861 CG TYR A 62 23.831 -7.712 -29.851 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.027 -7.992 -30.963 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.808 -6.712 -29.927 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.202 -7.271 -32.150 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.982 -5.991 -31.114 1.00 0.00 C ATOM 866 CZ TYR A 62 24.179 -6.271 -32.226 1.00 0.00 C ATOM 867 OH TYR A 62 24.349 -5.561 -33.397 1.00 0.00 O ATOM 0 H TYR A 62 21.868 -10.414 -28.699 1.00 0.00 H new ATOM 0 HA TYR A 62 24.684 -10.059 -29.621 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.626 -8.375 -28.206 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.306 -8.095 -27.795 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.273 -8.763 -30.905 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.428 -6.497 -29.069 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.583 -7.486 -33.008 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.735 -5.219 -31.172 1.00 0.00 H new ATOM 0 HH TYR A 62 25.067 -4.904 -33.280 1.00 0.00 H new ATOM 877 N VAL A 63 23.676 -11.136 -26.705 1.00 0.00 N ATOM 878 CA VAL A 63 24.179 -11.748 -25.441 1.00 0.00 C ATOM 879 C VAL A 63 23.923 -13.257 -25.457 1.00 0.00 C ATOM 880 O VAL A 63 23.096 -13.750 -26.199 1.00 0.00 O ATOM 881 CB VAL A 63 23.466 -11.118 -24.244 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.531 -9.594 -24.357 1.00 0.00 C ATOM 883 CG2 VAL A 63 22.002 -11.567 -24.227 1.00 0.00 C ATOM 0 H VAL A 63 22.667 -11.190 -26.845 1.00 0.00 H new ATOM 0 HA VAL A 63 25.251 -11.567 -25.358 1.00 0.00 H new ATOM 0 HB VAL A 63 23.953 -11.435 -23.322 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.023 -9.144 -23.504 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.573 -9.274 -24.369 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.043 -9.276 -25.279 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.494 -11.118 -23.374 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.513 -11.250 -25.148 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.955 -12.653 -24.147 1.00 0.00 H new