USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.133 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0974 USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.138 (180deg=-1.63!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 26 TYR OH : rot -132:sc= 0.458 USER MOD Single : A 30 THR OG1 : rot -157:sc= 1.05 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0995 (180deg=-0.579) USER MOD Single : A 38 CYS SG : rot 31:sc= -0.0351 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.0119 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.04 K(o=-1,f=-0.25) USER MOD Single : A 61 CYS SG : rot 134:sc= -0.181 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.51! X(o=-2.5!,f=-2.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.681 -12.957 0.970 1.00 0.00 N ATOM 2 CA GLY A 1 20.062 -13.470 0.750 1.00 0.00 C ATOM 3 C GLY A 1 20.349 -13.763 -0.709 1.00 0.00 C ATOM 4 O GLY A 1 19.997 -14.830 -1.215 1.00 0.00 O ATOM 0 H1 GLY A 1 18.536 -12.773 1.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.549 -12.075 0.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.992 -13.665 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.781 -12.738 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.205 -14.379 1.334 1.00 0.00 H new ATOM 10 N SER A 2 20.989 -12.817 -1.387 1.00 0.00 N ATOM 11 CA SER A 2 21.324 -12.979 -2.797 1.00 0.00 C ATOM 12 C SER A 2 20.064 -13.165 -3.637 1.00 0.00 C ATOM 13 O SER A 2 18.947 -13.107 -3.120 1.00 0.00 O ATOM 14 CB SER A 2 22.257 -14.176 -2.987 1.00 0.00 C ATOM 15 OG SER A 2 23.479 -13.985 -2.296 1.00 0.00 O ATOM 0 H SER A 2 21.287 -11.929 -0.983 1.00 0.00 H new ATOM 0 HA SER A 2 21.832 -12.074 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.770 -15.082 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.455 -14.322 -4.049 1.00 0.00 H new ATOM 0 HG SER A 2 24.057 -14.765 -2.432 1.00 0.00 H new ATOM 21 N SER A 3 20.250 -13.386 -4.934 1.00 0.00 N ATOM 22 CA SER A 3 19.129 -13.580 -5.846 1.00 0.00 C ATOM 23 C SER A 3 18.227 -12.349 -5.869 1.00 0.00 C ATOM 24 O SER A 3 18.532 -11.333 -5.244 1.00 0.00 O ATOM 25 CB SER A 3 18.319 -14.812 -5.437 1.00 0.00 C ATOM 26 OG SER A 3 17.425 -15.198 -6.466 1.00 0.00 O ATOM 0 H SER A 3 21.167 -13.435 -5.377 1.00 0.00 H new ATOM 0 HA SER A 3 19.530 -13.733 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.995 -15.636 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.760 -14.598 -4.526 1.00 0.00 H new ATOM 0 HG SER A 3 16.920 -15.988 -6.181 1.00 0.00 H new ATOM 32 N GLY A 4 17.117 -12.449 -6.592 1.00 0.00 N ATOM 33 CA GLY A 4 16.188 -11.339 -6.682 1.00 0.00 C ATOM 34 C GLY A 4 14.859 -11.638 -6.017 1.00 0.00 C ATOM 35 O GLY A 4 13.799 -11.393 -6.593 1.00 0.00 O ATOM 0 H GLY A 4 16.844 -13.280 -7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.633 -10.459 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.019 -11.095 -7.731 1.00 0.00 H new ATOM 39 N SER A 5 14.915 -12.169 -4.800 1.00 0.00 N ATOM 40 CA SER A 5 13.708 -12.503 -4.055 1.00 0.00 C ATOM 41 C SER A 5 12.977 -11.242 -3.609 1.00 0.00 C ATOM 42 O SER A 5 11.751 -11.229 -3.498 1.00 0.00 O ATOM 43 CB SER A 5 14.055 -13.363 -2.838 1.00 0.00 C ATOM 44 OG SER A 5 15.164 -12.829 -2.137 1.00 0.00 O ATOM 0 H SER A 5 15.784 -12.377 -4.309 1.00 0.00 H new ATOM 0 HA SER A 5 13.050 -13.068 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.194 -13.421 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.279 -14.380 -3.159 1.00 0.00 H new ATOM 0 HG SER A 5 15.365 -13.395 -1.363 1.00 0.00 H new ATOM 50 N SER A 6 13.737 -10.182 -3.352 1.00 0.00 N ATOM 51 CA SER A 6 13.161 -8.915 -2.918 1.00 0.00 C ATOM 52 C SER A 6 12.411 -9.083 -1.601 1.00 0.00 C ATOM 53 O SER A 6 12.106 -10.200 -1.186 1.00 0.00 O ATOM 54 CB SER A 6 12.218 -8.365 -3.990 1.00 0.00 C ATOM 55 OG SER A 6 12.132 -6.953 -3.919 1.00 0.00 O ATOM 0 H SER A 6 14.753 -10.176 -3.437 1.00 0.00 H new ATOM 0 HA SER A 6 13.975 -8.207 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.573 -8.661 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.226 -8.799 -3.864 1.00 0.00 H new ATOM 0 HG SER A 6 11.525 -6.627 -4.616 1.00 0.00 H new ATOM 61 N GLY A 7 12.117 -7.963 -0.947 1.00 0.00 N ATOM 62 CA GLY A 7 11.406 -8.008 0.317 1.00 0.00 C ATOM 63 C GLY A 7 11.165 -6.628 0.896 1.00 0.00 C ATOM 64 O GLY A 7 12.078 -5.805 0.960 1.00 0.00 O ATOM 0 H GLY A 7 12.358 -7.026 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.450 -8.511 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.976 -8.603 1.030 1.00 0.00 H new ATOM 68 N LEU A 8 9.930 -6.373 1.318 1.00 0.00 N ATOM 69 CA LEU A 8 9.571 -5.082 1.894 1.00 0.00 C ATOM 70 C LEU A 8 9.151 -5.235 3.352 1.00 0.00 C ATOM 71 O LEU A 8 8.475 -6.198 3.717 1.00 0.00 O ATOM 72 CB LEU A 8 8.439 -4.440 1.090 1.00 0.00 C ATOM 73 CG LEU A 8 8.586 -4.541 -0.429 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.220 -4.554 -1.098 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.431 -3.393 -0.960 1.00 0.00 C ATOM 0 H LEU A 8 9.162 -7.043 1.272 1.00 0.00 H new ATOM 0 HA LEU A 8 10.448 -4.437 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.498 -4.906 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.371 -3.387 1.364 1.00 0.00 H new ATOM 0 HG LEU A 8 9.092 -5.477 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.345 -4.626 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.648 -5.410 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.687 -3.635 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.525 -3.481 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.953 -2.445 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.421 -3.429 -0.506 1.00 0.00 H new ATOM 87 N ARG A 9 9.557 -4.279 4.183 1.00 0.00 N ATOM 88 CA ARG A 9 9.223 -4.309 5.602 1.00 0.00 C ATOM 89 C ARG A 9 7.932 -3.542 5.874 1.00 0.00 C ATOM 90 O ARG A 9 7.368 -2.919 4.975 1.00 0.00 O ATOM 91 CB ARG A 9 10.365 -3.716 6.429 1.00 0.00 C ATOM 92 CG ARG A 9 11.666 -4.496 6.319 1.00 0.00 C ATOM 93 CD ARG A 9 12.235 -4.833 7.688 1.00 0.00 C ATOM 94 NE ARG A 9 13.669 -5.105 7.634 1.00 0.00 N ATOM 95 CZ ARG A 9 14.359 -5.648 8.633 1.00 0.00 C ATOM 96 NH1 ARG A 9 13.751 -5.980 9.765 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.661 -5.862 8.502 1.00 0.00 N ATOM 0 H ARG A 9 10.117 -3.475 3.898 1.00 0.00 H new ATOM 0 HA ARG A 9 9.075 -5.349 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.539 -2.689 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.062 -3.677 7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.493 -5.416 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.394 -3.912 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.049 -4.005 8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.716 -5.702 8.092 1.00 0.00 H new ATOM 0 HE ARG A 9 14.171 -4.864 6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.749 -5.819 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.285 -6.396 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.134 -5.610 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.189 -6.278 9.269 1.00 0.00 H new ATOM 111 N LEU A 10 7.471 -3.593 7.119 1.00 0.00 N ATOM 112 CA LEU A 10 6.248 -2.903 7.510 1.00 0.00 C ATOM 113 C LEU A 10 6.561 -1.530 8.096 1.00 0.00 C ATOM 114 O LEU A 10 6.593 -1.357 9.315 1.00 0.00 O ATOM 115 CB LEU A 10 5.468 -3.739 8.527 1.00 0.00 C ATOM 116 CG LEU A 10 4.528 -4.783 7.922 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.124 -5.809 8.969 1.00 0.00 C ATOM 118 CD2 LEU A 10 3.299 -4.112 7.329 1.00 0.00 C ATOM 0 H LEU A 10 7.926 -4.105 7.875 1.00 0.00 H new ATOM 0 HA LEU A 10 5.637 -2.766 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.179 -4.247 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.884 -3.067 9.155 1.00 0.00 H new ATOM 0 HG LEU A 10 5.057 -5.301 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.455 -6.543 8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.014 -6.312 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.613 -5.308 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.641 -4.869 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.768 -3.568 8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.606 -3.417 6.548 1.00 0.00 H new ATOM 130 N GLY A 11 6.794 -0.558 7.220 1.00 0.00 N ATOM 131 CA GLY A 11 7.103 0.786 7.669 1.00 0.00 C ATOM 132 C GLY A 11 8.226 1.419 6.870 1.00 0.00 C ATOM 133 O GLY A 11 9.196 1.919 7.439 1.00 0.00 O ATOM 0 H GLY A 11 6.774 -0.678 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.210 1.407 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.381 0.759 8.723 1.00 0.00 H new ATOM 137 N ASP A 12 8.094 1.395 5.548 1.00 0.00 N ATOM 138 CA ASP A 12 9.105 1.968 4.668 1.00 0.00 C ATOM 139 C ASP A 12 8.475 2.945 3.680 1.00 0.00 C ATOM 140 O ASP A 12 7.286 2.856 3.377 1.00 0.00 O ATOM 141 CB ASP A 12 9.840 0.861 3.910 1.00 0.00 C ATOM 142 CG ASP A 12 10.291 -0.263 4.822 1.00 0.00 C ATOM 143 OD1 ASP A 12 9.438 -0.823 5.542 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.498 -0.583 4.816 1.00 0.00 O ATOM 0 H ASP A 12 7.296 0.985 5.063 1.00 0.00 H new ATOM 0 HA ASP A 12 9.820 2.512 5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.186 0.458 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.707 1.285 3.404 1.00 0.00 H new ATOM 149 N ARG A 13 9.281 3.877 3.181 1.00 0.00 N ATOM 150 CA ARG A 13 8.802 4.870 2.227 1.00 0.00 C ATOM 151 C ARG A 13 8.889 4.340 0.800 1.00 0.00 C ATOM 152 O ARG A 13 9.981 4.157 0.261 1.00 0.00 O ATOM 153 CB ARG A 13 9.612 6.162 2.355 1.00 0.00 C ATOM 154 CG ARG A 13 9.056 7.129 3.387 1.00 0.00 C ATOM 155 CD ARG A 13 9.895 7.136 4.655 1.00 0.00 C ATOM 156 NE ARG A 13 9.834 8.422 5.345 1.00 0.00 N ATOM 157 CZ ARG A 13 10.311 9.558 4.839 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.884 9.570 3.641 1.00 0.00 N ATOM 159 NH2 ARG A 13 10.216 10.684 5.533 1.00 0.00 N ATOM 0 H ARG A 13 10.268 3.965 3.422 1.00 0.00 H new ATOM 0 HA ARG A 13 7.757 5.081 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.639 5.912 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.645 6.658 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.024 8.134 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.030 6.853 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.547 6.349 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.931 6.907 4.405 1.00 0.00 H new ATOM 0 HE ARG A 13 9.401 8.452 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.960 8.706 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.248 10.443 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.778 10.680 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.581 11.554 5.146 1.00 0.00 H new ATOM 173 N VAL A 14 7.732 4.097 0.193 1.00 0.00 N ATOM 174 CA VAL A 14 7.679 3.590 -1.173 1.00 0.00 C ATOM 175 C VAL A 14 6.974 4.577 -2.098 1.00 0.00 C ATOM 176 O VAL A 14 6.446 5.594 -1.649 1.00 0.00 O ATOM 177 CB VAL A 14 6.954 2.232 -1.240 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.726 1.174 -0.468 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.532 2.357 -0.711 1.00 0.00 C ATOM 0 H VAL A 14 6.820 4.243 0.625 1.00 0.00 H new ATOM 0 HA VAL A 14 8.710 3.460 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 14 6.903 1.921 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.198 0.222 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.722 1.064 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.813 1.476 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.037 1.388 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.558 2.692 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.982 3.081 -1.313 1.00 0.00 H new ATOM 189 N LEU A 15 6.971 4.271 -3.390 1.00 0.00 N ATOM 190 CA LEU A 15 6.332 5.131 -4.378 1.00 0.00 C ATOM 191 C LEU A 15 5.352 4.340 -5.238 1.00 0.00 C ATOM 192 O LEU A 15 5.722 3.346 -5.863 1.00 0.00 O ATOM 193 CB LEU A 15 7.386 5.796 -5.265 1.00 0.00 C ATOM 194 CG LEU A 15 6.843 6.832 -6.252 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.017 7.880 -5.523 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.984 7.486 -7.017 1.00 0.00 C ATOM 0 H LEU A 15 7.404 3.433 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 15 5.777 5.903 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.125 6.279 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.908 5.021 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 15 6.197 6.323 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.639 8.609 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.179 7.397 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.640 8.386 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.581 8.220 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.655 7.982 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.535 6.725 -7.570 1.00 0.00 H new ATOM 208 N VAL A 16 4.101 4.787 -5.265 1.00 0.00 N ATOM 209 CA VAL A 16 3.067 4.121 -6.049 1.00 0.00 C ATOM 210 C VAL A 16 2.908 4.775 -7.417 1.00 0.00 C ATOM 211 O VAL A 16 2.633 5.970 -7.516 1.00 0.00 O ATOM 212 CB VAL A 16 1.710 4.142 -5.321 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.697 3.275 -6.054 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.869 3.685 -3.879 1.00 0.00 C ATOM 0 H VAL A 16 3.778 5.608 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 16 3.385 3.087 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 16 1.339 5.167 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.256 3.302 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.560 3.653 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.060 2.248 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.899 3.707 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.264 2.669 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.558 4.351 -3.360 1.00 0.00 H new ATOM 224 N GLY A 17 3.083 3.982 -8.469 1.00 0.00 N ATOM 225 CA GLY A 17 2.955 4.501 -9.818 1.00 0.00 C ATOM 226 C GLY A 17 4.007 5.544 -10.144 1.00 0.00 C ATOM 227 O GLY A 17 3.812 6.375 -11.030 1.00 0.00 O ATOM 0 H GLY A 17 3.311 2.990 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.032 3.678 -10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.964 4.938 -9.943 1.00 0.00 H new ATOM 231 N GLY A 18 5.127 5.499 -9.427 1.00 0.00 N ATOM 232 CA GLY A 18 6.196 6.451 -9.662 1.00 0.00 C ATOM 233 C GLY A 18 5.741 7.889 -9.503 1.00 0.00 C ATOM 234 O GLY A 18 6.190 8.772 -10.234 1.00 0.00 O ATOM 0 H GLY A 18 5.312 4.820 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.013 6.253 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.591 6.308 -10.668 1.00 0.00 H new ATOM 238 N THR A 19 4.849 8.124 -8.548 1.00 0.00 N ATOM 239 CA THR A 19 4.333 9.465 -8.297 1.00 0.00 C ATOM 240 C THR A 19 3.810 9.590 -6.870 1.00 0.00 C ATOM 241 O THR A 19 4.419 10.252 -6.030 1.00 0.00 O ATOM 242 CB THR A 19 3.220 9.800 -9.291 1.00 0.00 C ATOM 243 OG1 THR A 19 2.127 8.911 -9.139 1.00 0.00 O ATOM 244 CG2 THR A 19 3.667 9.736 -10.735 1.00 0.00 C ATOM 0 H THR A 19 4.468 7.404 -7.935 1.00 0.00 H new ATOM 0 HA THR A 19 5.153 10.172 -8.427 1.00 0.00 H new ATOM 0 HB THR A 19 2.929 10.826 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.425 9.143 -9.782 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.829 9.984 -11.387 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.476 10.448 -10.897 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.018 8.730 -10.963 1.00 0.00 H new ATOM 252 N LYS A 20 2.678 8.948 -6.602 1.00 0.00 N ATOM 253 CA LYS A 20 2.072 8.987 -5.276 1.00 0.00 C ATOM 254 C LYS A 20 3.001 8.373 -4.234 1.00 0.00 C ATOM 255 O LYS A 20 3.233 7.164 -4.230 1.00 0.00 O ATOM 256 CB LYS A 20 0.733 8.247 -5.283 1.00 0.00 C ATOM 257 CG LYS A 20 -0.144 8.586 -6.478 1.00 0.00 C ATOM 258 CD LYS A 20 -0.222 7.430 -7.465 1.00 0.00 C ATOM 259 CE LYS A 20 -1.630 6.865 -7.556 1.00 0.00 C ATOM 260 NZ LYS A 20 -1.995 6.085 -6.341 1.00 0.00 N ATOM 0 H LYS A 20 2.162 8.394 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 20 1.901 10.031 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.921 7.173 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.192 8.484 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.147 8.839 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.252 9.468 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.099 7.770 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.467 6.643 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.340 7.681 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.708 6.225 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.514 5.228 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.131 5.815 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.596 6.667 -5.723 1.00 0.00 H new ATOM 274 N THR A 21 3.530 9.215 -3.352 1.00 0.00 N ATOM 275 CA THR A 21 4.434 8.755 -2.304 1.00 0.00 C ATOM 276 C THR A 21 3.658 8.347 -1.056 1.00 0.00 C ATOM 277 O THR A 21 2.779 9.076 -0.594 1.00 0.00 O ATOM 278 CB THR A 21 5.444 9.849 -1.955 1.00 0.00 C ATOM 279 OG1 THR A 21 4.853 11.132 -2.071 1.00 0.00 O ATOM 280 CG2 THR A 21 6.674 9.830 -2.836 1.00 0.00 C ATOM 0 H THR A 21 3.348 10.219 -3.342 1.00 0.00 H new ATOM 0 HA THR A 21 4.969 7.883 -2.679 1.00 0.00 H new ATOM 0 HB THR A 21 5.748 9.645 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.514 11.818 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.349 10.631 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.181 8.870 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.379 9.975 -3.875 1.00 0.00 H new ATOM 288 N GLY A 22 3.990 7.180 -0.514 1.00 0.00 N ATOM 289 CA GLY A 22 3.315 6.696 0.675 1.00 0.00 C ATOM 290 C GLY A 22 4.137 5.671 1.432 1.00 0.00 C ATOM 291 O GLY A 22 5.011 5.021 0.859 1.00 0.00 O ATOM 0 H GLY A 22 4.715 6.561 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.095 7.537 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.360 6.254 0.392 1.00 0.00 H new ATOM 295 N VAL A 23 3.854 5.525 2.722 1.00 0.00 N ATOM 296 CA VAL A 23 4.573 4.571 3.559 1.00 0.00 C ATOM 297 C VAL A 23 3.894 3.206 3.545 1.00 0.00 C ATOM 298 O VAL A 23 2.679 3.108 3.375 1.00 0.00 O ATOM 299 CB VAL A 23 4.675 5.066 5.014 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.594 4.163 5.823 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.159 6.507 5.056 1.00 0.00 C ATOM 0 H VAL A 23 3.132 6.055 3.211 1.00 0.00 H new ATOM 0 HA VAL A 23 5.576 4.479 3.143 1.00 0.00 H new ATOM 0 HB VAL A 23 3.682 5.028 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.653 4.529 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.199 3.147 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.589 4.165 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.225 6.839 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.142 6.574 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.457 7.142 4.515 1.00 0.00 H new ATOM 311 N VAL A 24 4.687 2.154 3.724 1.00 0.00 N ATOM 312 CA VAL A 24 4.162 0.794 3.731 1.00 0.00 C ATOM 313 C VAL A 24 3.413 0.500 5.026 1.00 0.00 C ATOM 314 O VAL A 24 3.930 0.730 6.121 1.00 0.00 O ATOM 315 CB VAL A 24 5.286 -0.244 3.555 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.704 -1.633 3.350 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.191 0.140 2.394 1.00 0.00 C ATOM 0 H VAL A 24 5.695 2.218 3.866 1.00 0.00 H new ATOM 0 HA VAL A 24 3.473 0.718 2.890 1.00 0.00 H new ATOM 0 HB VAL A 24 5.887 -0.259 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.514 -2.352 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.103 -1.907 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.077 -1.637 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.979 -0.605 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.605 0.186 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.638 1.115 2.588 1.00 0.00 H new ATOM 327 N ARG A 25 2.193 -0.009 4.896 1.00 0.00 N ATOM 328 CA ARG A 25 1.371 -0.335 6.057 1.00 0.00 C ATOM 329 C ARG A 25 1.069 -1.829 6.109 1.00 0.00 C ATOM 330 O ARG A 25 1.073 -2.437 7.179 1.00 0.00 O ATOM 331 CB ARG A 25 0.064 0.459 6.021 1.00 0.00 C ATOM 332 CG ARG A 25 0.219 1.908 6.454 1.00 0.00 C ATOM 333 CD ARG A 25 -0.119 2.089 7.926 1.00 0.00 C ATOM 334 NE ARG A 25 0.317 3.388 8.431 1.00 0.00 N ATOM 335 CZ ARG A 25 1.576 3.671 8.759 1.00 0.00 C ATOM 336 NH1 ARG A 25 2.524 2.751 8.635 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.888 4.878 9.210 1.00 0.00 N ATOM 0 H ARG A 25 1.751 -0.205 3.998 1.00 0.00 H new ATOM 0 HA ARG A 25 1.929 -0.064 6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.340 0.432 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.665 -0.029 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.242 2.236 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.431 2.541 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.195 1.988 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.354 1.297 8.507 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.384 4.121 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.290 1.821 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.487 2.974 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.164 5.590 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.852 5.095 9.461 1.00 0.00 H new ATOM 351 N TYR A 26 0.805 -2.414 4.945 1.00 0.00 N ATOM 352 CA TYR A 26 0.498 -3.837 4.857 1.00 0.00 C ATOM 353 C TYR A 26 1.513 -4.559 3.976 1.00 0.00 C ATOM 354 O TYR A 26 1.809 -4.116 2.865 1.00 0.00 O ATOM 355 CB TYR A 26 -0.913 -4.041 4.302 1.00 0.00 C ATOM 356 CG TYR A 26 -1.379 -5.479 4.337 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.296 -6.229 5.504 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.900 -6.087 3.202 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.720 -7.543 5.539 1.00 0.00 C ATOM 360 CE2 TYR A 26 -2.326 -7.401 3.229 1.00 0.00 C ATOM 361 CZ TYR A 26 -2.234 -8.125 4.399 1.00 0.00 C ATOM 362 OH TYR A 26 -2.657 -9.433 4.430 1.00 0.00 O ATOM 0 H TYR A 26 0.798 -1.925 4.050 1.00 0.00 H new ATOM 0 HA TYR A 26 0.551 -4.258 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.610 -3.429 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.944 -3.683 3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.893 -5.777 6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.973 -5.523 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.649 -8.112 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.729 -7.859 2.338 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.291 -9.914 3.658 1.00 0.00 H new ATOM 372 N VAL A 27 2.040 -5.670 4.477 1.00 0.00 N ATOM 373 CA VAL A 27 3.022 -6.451 3.735 1.00 0.00 C ATOM 374 C VAL A 27 2.828 -7.945 3.975 1.00 0.00 C ATOM 375 O VAL A 27 3.257 -8.480 4.997 1.00 0.00 O ATOM 376 CB VAL A 27 4.460 -6.062 4.124 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.466 -6.751 3.215 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.635 -4.551 4.077 1.00 0.00 C ATOM 0 H VAL A 27 1.804 -6.050 5.394 1.00 0.00 H new ATOM 0 HA VAL A 27 2.869 -6.232 2.678 1.00 0.00 H new ATOM 0 HB VAL A 27 4.643 -6.395 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.476 -6.463 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.357 -7.832 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.287 -6.452 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.657 -4.294 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.432 -4.192 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.941 -4.082 4.775 1.00 0.00 H new ATOM 388 N GLY A 28 2.180 -8.612 3.026 1.00 0.00 N ATOM 389 CA GLY A 28 1.942 -10.038 3.153 1.00 0.00 C ATOM 390 C GLY A 28 0.990 -10.562 2.095 1.00 0.00 C ATOM 391 O GLY A 28 0.539 -9.812 1.229 1.00 0.00 O ATOM 0 H GLY A 28 1.815 -8.191 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.891 -10.570 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.534 -10.249 4.142 1.00 0.00 H new ATOM 395 N GLU A 29 0.683 -11.853 2.166 1.00 0.00 N ATOM 396 CA GLU A 29 -0.222 -12.478 1.209 1.00 0.00 C ATOM 397 C GLU A 29 -1.668 -12.087 1.493 1.00 0.00 C ATOM 398 O GLU A 29 -1.989 -11.604 2.578 1.00 0.00 O ATOM 399 CB GLU A 29 -0.074 -14.000 1.252 1.00 0.00 C ATOM 400 CG GLU A 29 0.947 -14.541 0.265 1.00 0.00 C ATOM 401 CD GLU A 29 0.882 -16.050 0.128 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.168 -16.632 0.472 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.880 -16.648 -0.324 1.00 0.00 O ATOM 0 H GLU A 29 1.048 -12.487 2.877 1.00 0.00 H new ATOM 0 HA GLU A 29 0.042 -12.124 0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.213 -14.300 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.042 -14.457 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.782 -14.084 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.947 -14.252 0.587 1.00 0.00 H new ATOM 410 N THR A 30 -2.537 -12.300 0.510 1.00 0.00 N ATOM 411 CA THR A 30 -3.951 -11.972 0.655 1.00 0.00 C ATOM 412 C THR A 30 -4.823 -13.194 0.384 1.00 0.00 C ATOM 413 O THR A 30 -4.319 -14.271 0.064 1.00 0.00 O ATOM 414 CB THR A 30 -4.332 -10.837 -0.298 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.675 -10.986 -1.544 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.991 -9.464 0.239 1.00 0.00 C ATOM 0 H THR A 30 -2.287 -12.698 -0.395 1.00 0.00 H new ATOM 0 HA THR A 30 -4.121 -11.648 1.682 1.00 0.00 H new ATOM 0 HB THR A 30 -5.414 -10.907 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.624 -10.116 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.287 -8.706 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.522 -9.298 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.917 -9.398 0.414 1.00 0.00 H new ATOM 424 N ASP A 31 -6.135 -13.018 0.514 1.00 0.00 N ATOM 425 CA ASP A 31 -7.078 -14.107 0.284 1.00 0.00 C ATOM 426 C ASP A 31 -7.995 -13.792 -0.893 1.00 0.00 C ATOM 427 O ASP A 31 -8.304 -14.666 -1.704 1.00 0.00 O ATOM 428 CB ASP A 31 -7.912 -14.362 1.541 1.00 0.00 C ATOM 429 CG ASP A 31 -7.296 -15.416 2.439 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.632 -16.333 1.911 1.00 0.00 O ATOM 431 OD2 ASP A 31 -7.478 -15.326 3.672 1.00 0.00 O ATOM 0 H ASP A 31 -6.568 -12.133 0.777 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.507 -15.005 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.019 -13.431 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.915 -14.676 1.251 1.00 0.00 H new ATOM 436 N PHE A 32 -8.427 -12.539 -0.980 1.00 0.00 N ATOM 437 CA PHE A 32 -9.309 -12.108 -2.058 1.00 0.00 C ATOM 438 C PHE A 32 -8.642 -12.300 -3.417 1.00 0.00 C ATOM 439 O PHE A 32 -9.311 -12.565 -4.417 1.00 0.00 O ATOM 440 CB PHE A 32 -9.698 -10.640 -1.872 1.00 0.00 C ATOM 441 CG PHE A 32 -8.535 -9.747 -1.547 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.589 -9.440 -2.513 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.386 -9.215 -0.277 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.518 -8.619 -2.218 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.317 -8.393 0.025 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.382 -8.095 -0.946 1.00 0.00 C ATOM 0 H PHE A 32 -8.181 -11.804 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.209 -12.722 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.177 -10.281 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.436 -10.567 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.691 -9.848 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.114 -9.445 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.788 -8.387 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.213 -7.984 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.545 -7.453 -0.712 1.00 0.00 H new ATOM 456 N ALA A 33 -7.320 -12.167 -3.446 1.00 0.00 N ATOM 457 CA ALA A 33 -6.562 -12.327 -4.681 1.00 0.00 C ATOM 458 C ALA A 33 -5.349 -13.226 -4.468 1.00 0.00 C ATOM 459 O ALA A 33 -4.963 -13.505 -3.333 1.00 0.00 O ATOM 460 CB ALA A 33 -6.130 -10.969 -5.213 1.00 0.00 C ATOM 0 H ALA A 33 -6.751 -11.949 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.209 -12.804 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.565 -11.103 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.011 -10.359 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.504 -10.471 -4.473 1.00 0.00 H new ATOM 466 N LYS A 34 -4.752 -13.676 -5.566 1.00 0.00 N ATOM 467 CA LYS A 34 -3.582 -14.544 -5.499 1.00 0.00 C ATOM 468 C LYS A 34 -2.295 -13.729 -5.559 1.00 0.00 C ATOM 469 O LYS A 34 -2.245 -12.673 -6.191 1.00 0.00 O ATOM 470 CB LYS A 34 -3.607 -15.560 -6.642 1.00 0.00 C ATOM 471 CG LYS A 34 -4.846 -16.440 -6.648 1.00 0.00 C ATOM 472 CD LYS A 34 -4.738 -17.546 -7.686 1.00 0.00 C ATOM 473 CE LYS A 34 -4.837 -16.993 -9.098 1.00 0.00 C ATOM 474 NZ LYS A 34 -6.110 -16.253 -9.319 1.00 0.00 N ATOM 0 H LYS A 34 -5.059 -13.454 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.611 -15.076 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.545 -15.028 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.722 -16.193 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.987 -16.879 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.726 -15.830 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.790 -18.070 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.529 -18.278 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.994 -16.329 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.765 -17.812 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.292 -16.173 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.893 -16.767 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.035 -15.302 -8.905 1.00 0.00 H new ATOM 488 N GLY A 35 -1.253 -14.226 -4.899 1.00 0.00 N ATOM 489 CA GLY A 35 0.021 -13.532 -4.892 1.00 0.00 C ATOM 490 C GLY A 35 0.208 -12.674 -3.656 1.00 0.00 C ATOM 491 O GLY A 35 -0.631 -12.676 -2.756 1.00 0.00 O ATOM 0 H GLY A 35 -1.269 -15.097 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.829 -14.262 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.094 -12.905 -5.780 1.00 0.00 H new ATOM 495 N GLU A 36 1.315 -11.938 -3.614 1.00 0.00 N ATOM 496 CA GLU A 36 1.613 -11.071 -2.480 1.00 0.00 C ATOM 497 C GLU A 36 1.288 -9.616 -2.807 1.00 0.00 C ATOM 498 O GLU A 36 1.736 -9.082 -3.821 1.00 0.00 O ATOM 499 CB GLU A 36 3.086 -11.199 -2.087 1.00 0.00 C ATOM 500 CG GLU A 36 3.419 -12.513 -1.398 1.00 0.00 C ATOM 501 CD GLU A 36 3.953 -13.556 -2.361 1.00 0.00 C ATOM 502 OE1 GLU A 36 3.309 -13.783 -3.407 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.014 -14.146 -2.068 1.00 0.00 O ATOM 0 H GLU A 36 2.019 -11.925 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 36 0.991 -11.385 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.702 -11.101 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.350 -10.374 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.158 -12.333 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.525 -12.899 -0.908 1.00 0.00 H new ATOM 510 N TRP A 37 0.505 -8.982 -1.941 1.00 0.00 N ATOM 511 CA TRP A 37 0.119 -7.589 -2.136 1.00 0.00 C ATOM 512 C TRP A 37 0.728 -6.700 -1.058 1.00 0.00 C ATOM 513 O TRP A 37 1.268 -7.191 -0.066 1.00 0.00 O ATOM 514 CB TRP A 37 -1.405 -7.454 -2.126 1.00 0.00 C ATOM 515 CG TRP A 37 -2.071 -8.148 -3.274 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.234 -9.494 -3.434 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.663 -7.532 -4.423 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.892 -9.753 -4.613 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.166 -8.565 -5.238 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.818 -6.207 -4.843 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.812 -8.313 -6.446 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.459 -5.959 -6.042 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.950 -7.007 -6.831 1.00 0.00 C ATOM 0 H TRP A 37 0.125 -9.411 -1.097 1.00 0.00 H new ATOM 0 HA TRP A 37 0.498 -7.265 -3.105 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.792 -7.860 -1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.669 -6.397 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.895 -10.246 -2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.136 -10.679 -4.965 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.443 -5.392 -4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.190 -9.119 -7.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.583 -4.940 -6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.448 -6.780 -7.762 1.00 0.00 H new ATOM 534 N CYS A 38 0.637 -5.389 -1.258 1.00 0.00 N ATOM 535 CA CYS A 38 1.180 -4.431 -0.301 1.00 0.00 C ATOM 536 C CYS A 38 0.258 -3.224 -0.157 1.00 0.00 C ATOM 537 O CYS A 38 -0.322 -2.753 -1.135 1.00 0.00 O ATOM 538 CB CYS A 38 2.574 -3.976 -0.738 1.00 0.00 C ATOM 539 SG CYS A 38 3.926 -4.831 0.104 1.00 0.00 S ATOM 0 H CYS A 38 0.193 -4.966 -2.073 1.00 0.00 H new ATOM 0 HA CYS A 38 1.255 -4.925 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.674 -4.129 -1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.668 -2.905 -0.559 1.00 0.00 H new ATOM 0 HG CYS A 38 3.554 -6.040 0.406 1.00 0.00 H new ATOM 545 N GLY A 39 0.128 -2.728 1.069 1.00 0.00 N ATOM 546 CA GLY A 39 -0.724 -1.580 1.320 1.00 0.00 C ATOM 547 C GLY A 39 0.069 -0.315 1.584 1.00 0.00 C ATOM 548 O GLY A 39 0.645 -0.149 2.659 1.00 0.00 O ATOM 0 H GLY A 39 0.598 -3.101 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.378 -1.423 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.366 -1.788 2.176 1.00 0.00 H new ATOM 552 N VAL A 40 0.099 0.579 0.600 1.00 0.00 N ATOM 553 CA VAL A 40 0.828 1.835 0.731 1.00 0.00 C ATOM 554 C VAL A 40 -0.121 2.991 1.028 1.00 0.00 C ATOM 555 O VAL A 40 -0.976 3.331 0.210 1.00 0.00 O ATOM 556 CB VAL A 40 1.627 2.156 -0.545 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.531 3.360 -0.320 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.438 0.948 -0.986 1.00 0.00 C ATOM 0 H VAL A 40 -0.373 0.457 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 40 1.521 1.714 1.563 1.00 0.00 H new ATOM 0 HB VAL A 40 0.923 2.402 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.088 3.572 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.924 4.226 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.229 3.145 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.996 1.194 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.134 0.668 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.767 0.114 -1.190 1.00 0.00 H new ATOM 568 N GLU A 41 0.036 3.592 2.203 1.00 0.00 N ATOM 569 CA GLU A 41 -0.808 4.711 2.607 1.00 0.00 C ATOM 570 C GLU A 41 -0.217 6.035 2.136 1.00 0.00 C ATOM 571 O GLU A 41 0.781 6.509 2.679 1.00 0.00 O ATOM 572 CB GLU A 41 -0.977 4.725 4.128 1.00 0.00 C ATOM 573 CG GLU A 41 -2.085 5.648 4.608 1.00 0.00 C ATOM 574 CD GLU A 41 -1.651 6.531 5.761 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.686 6.161 6.461 1.00 0.00 O ATOM 576 OE2 GLU A 41 -2.277 7.593 5.965 1.00 0.00 O ATOM 0 H GLU A 41 0.739 3.323 2.891 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.785 4.585 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.185 3.712 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.037 5.030 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.415 6.275 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.943 5.050 4.916 1.00 0.00 H new ATOM 583 N LEU A 42 -0.841 6.628 1.123 1.00 0.00 N ATOM 584 CA LEU A 42 -0.379 7.898 0.578 1.00 0.00 C ATOM 585 C LEU A 42 -0.605 9.033 1.572 1.00 0.00 C ATOM 586 O LEU A 42 -1.443 8.929 2.467 1.00 0.00 O ATOM 587 CB LEU A 42 -1.100 8.205 -0.736 1.00 0.00 C ATOM 588 CG LEU A 42 -0.819 7.222 -1.873 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.699 7.530 -3.075 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.652 7.266 -2.262 1.00 0.00 C ATOM 0 H LEU A 42 -1.669 6.248 0.663 1.00 0.00 H new ATOM 0 HA LEU A 42 0.691 7.814 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.174 8.223 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.817 9.206 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.054 6.216 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.485 6.820 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.748 7.449 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.496 8.542 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.835 6.561 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.911 8.272 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.264 6.997 -1.401 1.00 0.00 H new ATOM 602 N ASP A 43 0.148 10.116 1.407 1.00 0.00 N ATOM 603 CA ASP A 43 0.027 11.271 2.290 1.00 0.00 C ATOM 604 C ASP A 43 -1.178 12.123 1.906 1.00 0.00 C ATOM 605 O ASP A 43 -1.875 12.655 2.771 1.00 0.00 O ATOM 606 CB ASP A 43 1.302 12.115 2.235 1.00 0.00 C ATOM 607 CG ASP A 43 2.285 11.749 3.330 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.895 10.662 3.241 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.445 12.548 4.277 1.00 0.00 O ATOM 0 H ASP A 43 0.847 10.218 0.671 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.117 10.908 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.779 11.985 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.041 13.170 2.323 1.00 0.00 H new ATOM 614 N GLU A 44 -1.419 12.247 0.605 1.00 0.00 N ATOM 615 CA GLU A 44 -2.541 13.032 0.106 1.00 0.00 C ATOM 616 C GLU A 44 -3.775 12.154 -0.088 1.00 0.00 C ATOM 617 O GLU A 44 -3.661 10.940 -0.260 1.00 0.00 O ATOM 618 CB GLU A 44 -2.166 13.714 -1.213 1.00 0.00 C ATOM 619 CG GLU A 44 -2.188 15.232 -1.140 1.00 0.00 C ATOM 620 CD GLU A 44 -2.850 15.863 -2.350 1.00 0.00 C ATOM 621 OE1 GLU A 44 -4.072 15.675 -2.523 1.00 0.00 O ATOM 622 OE2 GLU A 44 -2.146 16.548 -3.123 1.00 0.00 O ATOM 0 H GLU A 44 -0.851 11.813 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.777 13.797 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.170 13.387 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.855 13.386 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.717 15.541 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.167 15.603 -1.054 1.00 0.00 H new ATOM 629 N PRO A 45 -4.975 12.759 -0.063 1.00 0.00 N ATOM 630 CA PRO A 45 -6.232 12.024 -0.239 1.00 0.00 C ATOM 631 C PRO A 45 -6.394 11.484 -1.657 1.00 0.00 C ATOM 632 O PRO A 45 -7.298 11.888 -2.389 1.00 0.00 O ATOM 633 CB PRO A 45 -7.305 13.075 0.060 1.00 0.00 C ATOM 634 CG PRO A 45 -6.648 14.381 -0.227 1.00 0.00 C ATOM 635 CD PRO A 45 -5.200 14.202 0.135 1.00 0.00 C ATOM 0 HA PRO A 45 -6.285 11.147 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.186 12.930 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.636 13.018 1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.758 14.651 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.100 15.183 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.549 14.801 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.003 14.502 1.164 1.00 0.00 H new ATOM 643 N LEU A 46 -5.510 10.566 -2.038 1.00 0.00 N ATOM 644 CA LEU A 46 -5.552 9.970 -3.368 1.00 0.00 C ATOM 645 C LEU A 46 -5.803 8.467 -3.285 1.00 0.00 C ATOM 646 O LEU A 46 -5.400 7.711 -4.168 1.00 0.00 O ATOM 647 CB LEU A 46 -4.244 10.240 -4.112 1.00 0.00 C ATOM 648 CG LEU A 46 -3.713 11.670 -3.993 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.193 11.673 -3.947 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.215 12.522 -5.147 1.00 0.00 C ATOM 0 H LEU A 46 -4.757 10.219 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.375 10.427 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.483 9.554 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.390 10.010 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.085 12.099 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.834 12.699 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.854 11.097 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.800 11.225 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.828 13.536 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.873 12.095 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.305 12.547 -5.134 1.00 0.00 H new ATOM 662 N GLY A 47 -6.471 8.039 -2.218 1.00 0.00 N ATOM 663 CA GLY A 47 -6.763 6.628 -2.041 1.00 0.00 C ATOM 664 C GLY A 47 -8.248 6.332 -2.108 1.00 0.00 C ATOM 665 O GLY A 47 -9.075 7.236 -1.988 1.00 0.00 O ATOM 0 H GLY A 47 -6.815 8.644 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.246 6.054 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.372 6.297 -1.079 1.00 0.00 H new ATOM 669 N LYS A 48 -8.588 5.061 -2.299 1.00 0.00 N ATOM 670 CA LYS A 48 -9.983 4.647 -2.381 1.00 0.00 C ATOM 671 C LYS A 48 -10.357 3.752 -1.204 1.00 0.00 C ATOM 672 O LYS A 48 -11.468 3.832 -0.679 1.00 0.00 O ATOM 673 CB LYS A 48 -10.242 3.911 -3.697 1.00 0.00 C ATOM 674 CG LYS A 48 -10.054 4.783 -4.929 1.00 0.00 C ATOM 675 CD LYS A 48 -11.389 5.225 -5.507 1.00 0.00 C ATOM 676 CE LYS A 48 -11.312 6.636 -6.068 1.00 0.00 C ATOM 677 NZ LYS A 48 -11.110 6.637 -7.543 1.00 0.00 N ATOM 0 H LYS A 48 -7.916 4.300 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.603 5.543 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.571 3.054 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.259 3.520 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.461 5.660 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.494 4.232 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.692 4.535 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.155 5.181 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.229 7.173 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.493 7.173 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.063 7.618 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.222 6.147 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.904 6.147 -8.002 1.00 0.00 H new ATOM 691 N ASN A 49 -9.423 2.900 -0.795 1.00 0.00 N ATOM 692 CA ASN A 49 -9.654 1.990 0.321 1.00 0.00 C ATOM 693 C ASN A 49 -9.088 2.561 1.616 1.00 0.00 C ATOM 694 O ASN A 49 -8.486 3.634 1.623 1.00 0.00 O ATOM 695 CB ASN A 49 -9.023 0.626 0.032 1.00 0.00 C ATOM 696 CG ASN A 49 -9.919 -0.258 -0.813 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.012 -0.637 -0.393 1.00 0.00 O ATOM 698 ND2 ASN A 49 -9.458 -0.592 -2.012 1.00 0.00 N ATOM 0 H ASN A 49 -8.499 2.821 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.730 1.867 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.072 0.770 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.805 0.123 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.016 -1.186 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.546 -0.255 -2.320 1.00 0.00 H new ATOM 705 N ASP A 50 -9.285 1.836 2.712 1.00 0.00 N ATOM 706 CA ASP A 50 -8.794 2.270 4.015 1.00 0.00 C ATOM 707 C ASP A 50 -8.076 1.131 4.732 1.00 0.00 C ATOM 708 O ASP A 50 -8.147 1.010 5.955 1.00 0.00 O ATOM 709 CB ASP A 50 -9.952 2.778 4.876 1.00 0.00 C ATOM 710 CG ASP A 50 -11.028 1.729 5.076 1.00 0.00 C ATOM 711 OD1 ASP A 50 -11.556 1.219 4.066 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.342 1.417 6.244 1.00 0.00 O ATOM 0 H ASP A 50 -9.781 0.945 2.724 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.084 3.082 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.569 3.091 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.390 3.659 4.407 1.00 0.00 H new ATOM 717 N GLY A 51 -7.384 0.297 3.962 1.00 0.00 N ATOM 718 CA GLY A 51 -6.663 -0.821 4.540 1.00 0.00 C ATOM 719 C GLY A 51 -7.592 -1.886 5.091 1.00 0.00 C ATOM 720 O GLY A 51 -7.241 -2.597 6.033 1.00 0.00 O ATOM 0 H GLY A 51 -7.310 0.376 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.016 -1.264 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.016 -0.459 5.339 1.00 0.00 H new ATOM 724 N ALA A 52 -8.778 -1.995 4.504 1.00 0.00 N ATOM 725 CA ALA A 52 -9.760 -2.979 4.940 1.00 0.00 C ATOM 726 C ALA A 52 -10.505 -3.575 3.750 1.00 0.00 C ATOM 727 O ALA A 52 -11.354 -2.921 3.146 1.00 0.00 O ATOM 728 CB ALA A 52 -10.741 -2.350 5.917 1.00 0.00 C ATOM 0 H ALA A 52 -9.083 -1.413 3.724 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.229 -3.786 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.469 -3.097 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.200 -1.978 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.259 -1.523 5.431 1.00 0.00 H new ATOM 734 N VAL A 53 -10.180 -4.821 3.419 1.00 0.00 N ATOM 735 CA VAL A 53 -10.818 -5.505 2.301 1.00 0.00 C ATOM 736 C VAL A 53 -11.575 -6.741 2.773 1.00 0.00 C ATOM 737 O VAL A 53 -11.065 -7.525 3.573 1.00 0.00 O ATOM 738 CB VAL A 53 -9.787 -5.924 1.237 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.485 -6.453 -0.006 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.874 -4.759 0.890 1.00 0.00 C ATOM 0 H VAL A 53 -9.479 -5.377 3.909 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.520 -4.799 1.858 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.174 -6.726 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.739 -6.744 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.091 -7.319 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.125 -5.675 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.152 -5.074 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.469 -3.934 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.345 -4.432 1.785 1.00 0.00 H new ATOM 750 N ALA A 54 -12.795 -6.908 2.272 1.00 0.00 N ATOM 751 CA ALA A 54 -13.622 -8.049 2.643 1.00 0.00 C ATOM 752 C ALA A 54 -13.883 -8.075 4.146 1.00 0.00 C ATOM 753 O ALA A 54 -13.999 -9.142 4.747 1.00 0.00 O ATOM 754 CB ALA A 54 -12.964 -9.346 2.197 1.00 0.00 C ATOM 0 H ALA A 54 -13.232 -6.268 1.609 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.582 -7.949 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.593 -10.190 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.837 -9.336 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.990 -9.443 2.676 1.00 0.00 H new ATOM 760 N GLY A 55 -13.975 -6.892 4.745 1.00 0.00 N ATOM 761 CA GLY A 55 -14.222 -6.802 6.172 1.00 0.00 C ATOM 762 C GLY A 55 -13.017 -7.214 6.997 1.00 0.00 C ATOM 763 O GLY A 55 -13.162 -7.690 8.123 1.00 0.00 O ATOM 0 H GLY A 55 -13.883 -5.995 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.499 -5.779 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.070 -7.436 6.431 1.00 0.00 H new ATOM 767 N THR A 56 -11.828 -7.029 6.435 1.00 0.00 N ATOM 768 CA THR A 56 -10.593 -7.385 7.126 1.00 0.00 C ATOM 769 C THR A 56 -9.617 -6.212 7.130 1.00 0.00 C ATOM 770 O THR A 56 -8.997 -5.904 6.112 1.00 0.00 O ATOM 771 CB THR A 56 -9.945 -8.601 6.463 1.00 0.00 C ATOM 772 OG1 THR A 56 -10.931 -9.517 6.022 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.000 -9.349 7.379 1.00 0.00 C ATOM 0 H THR A 56 -11.692 -6.635 5.504 1.00 0.00 H new ATOM 0 HA THR A 56 -10.841 -7.633 8.158 1.00 0.00 H new ATOM 0 HB THR A 56 -9.374 -8.203 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.288 -9.222 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.575 -10.200 6.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.198 -8.683 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.546 -9.704 8.253 1.00 0.00 H new ATOM 781 N ARG A 57 -9.486 -5.563 8.281 1.00 0.00 N ATOM 782 CA ARG A 57 -8.586 -4.423 8.418 1.00 0.00 C ATOM 783 C ARG A 57 -7.212 -4.871 8.904 1.00 0.00 C ATOM 784 O ARG A 57 -7.023 -5.155 10.087 1.00 0.00 O ATOM 785 CB ARG A 57 -9.174 -3.396 9.387 1.00 0.00 C ATOM 786 CG ARG A 57 -8.364 -2.111 9.474 1.00 0.00 C ATOM 787 CD ARG A 57 -9.254 -0.881 9.379 1.00 0.00 C ATOM 788 NE ARG A 57 -10.431 -0.989 10.237 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.502 -0.204 10.127 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.546 0.744 9.199 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.532 -0.370 10.946 1.00 0.00 N ATOM 0 H ARG A 57 -9.991 -5.806 9.133 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.472 -3.962 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.191 -3.155 9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.241 -3.842 10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.813 -2.090 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.626 -2.090 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.681 0.003 9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.571 -0.742 8.345 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.433 -1.706 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.757 0.874 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.368 1.342 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.504 -1.098 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.352 0.231 10.862 1.00 0.00 H new ATOM 805 N TYR A 58 -6.255 -4.930 7.984 1.00 0.00 N ATOM 806 CA TYR A 58 -4.897 -5.343 8.320 1.00 0.00 C ATOM 807 C TYR A 58 -4.160 -4.234 9.064 1.00 0.00 C ATOM 808 O TYR A 58 -3.324 -4.502 9.928 1.00 0.00 O ATOM 809 CB TYR A 58 -4.128 -5.720 7.052 1.00 0.00 C ATOM 810 CG TYR A 58 -4.870 -6.690 6.161 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.185 -7.968 6.606 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.253 -6.329 4.876 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.863 -8.858 5.794 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.932 -7.214 4.058 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.234 -8.476 4.523 1.00 0.00 C ATOM 816 OH TYR A 58 -6.908 -9.361 3.713 1.00 0.00 O ATOM 0 H TYR A 58 -6.394 -4.697 7.001 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.959 -6.214 8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.910 -4.814 6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.171 -6.158 7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.896 -8.271 7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.017 -5.341 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.101 -9.848 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.224 -6.918 3.061 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.097 -8.936 2.850 1.00 0.00 H new ATOM 826 N PHE A 59 -4.475 -2.988 8.723 1.00 0.00 N ATOM 827 CA PHE A 59 -3.842 -1.839 9.360 1.00 0.00 C ATOM 828 C PHE A 59 -4.835 -0.694 9.528 1.00 0.00 C ATOM 829 O PHE A 59 -5.559 -0.344 8.595 1.00 0.00 O ATOM 830 CB PHE A 59 -2.641 -1.371 8.536 1.00 0.00 C ATOM 831 CG PHE A 59 -2.995 -0.967 7.133 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.203 -1.924 6.154 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.118 0.371 6.794 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.527 -1.554 4.862 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.442 0.747 5.504 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.647 -0.217 4.537 1.00 0.00 C ATOM 0 H PHE A 59 -5.164 -2.749 8.010 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.499 -2.146 10.348 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.171 -0.527 9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.902 -2.171 8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.111 -2.971 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.959 1.129 7.547 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.686 -2.310 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.535 1.793 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.901 0.074 3.528 1.00 0.00 H new ATOM 846 N GLN A 60 -4.865 -0.114 10.723 1.00 0.00 N ATOM 847 CA GLN A 60 -5.769 0.993 11.015 1.00 0.00 C ATOM 848 C GLN A 60 -5.389 2.234 10.215 1.00 0.00 C ATOM 849 O GLN A 60 -4.335 2.831 10.440 1.00 0.00 O ATOM 850 CB GLN A 60 -5.754 1.313 12.511 1.00 0.00 C ATOM 851 CG GLN A 60 -6.834 2.293 12.936 1.00 0.00 C ATOM 852 CD GLN A 60 -8.233 1.758 12.698 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.861 1.207 13.601 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.729 1.921 11.477 1.00 0.00 N ATOM 0 H GLN A 60 -4.273 -0.392 11.506 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.775 0.690 10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.874 0.387 13.073 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.779 1.722 12.776 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.713 2.525 13.994 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.708 3.227 12.388 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.173 2.384 10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.666 1.583 11.258 1.00 0.00 H new ATOM 863 N CYS A 61 -6.252 2.618 9.281 1.00 0.00 N ATOM 864 CA CYS A 61 -6.007 3.789 8.447 1.00 0.00 C ATOM 865 C CYS A 61 -7.315 4.497 8.104 1.00 0.00 C ATOM 866 O CYS A 61 -8.368 3.865 8.017 1.00 0.00 O ATOM 867 CB CYS A 61 -5.277 3.384 7.164 1.00 0.00 C ATOM 868 SG CYS A 61 -3.501 3.724 7.187 1.00 0.00 S ATOM 0 H CYS A 61 -7.128 2.135 9.082 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.379 4.480 9.009 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.430 2.319 6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.726 3.910 6.322 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.855 2.688 6.741 1.00 0.00 H new ATOM 874 N PRO A 62 -7.266 5.825 7.902 1.00 0.00 N ATOM 875 CA PRO A 62 -8.453 6.617 7.566 1.00 0.00 C ATOM 876 C PRO A 62 -8.954 6.337 6.151 1.00 0.00 C ATOM 877 O PRO A 62 -8.277 5.676 5.364 1.00 0.00 O ATOM 878 CB PRO A 62 -7.961 8.061 7.684 1.00 0.00 C ATOM 879 CG PRO A 62 -6.495 7.983 7.435 1.00 0.00 C ATOM 880 CD PRO A 62 -6.050 6.656 7.985 1.00 0.00 C ATOM 0 HA PRO A 62 -9.296 6.386 8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.452 8.707 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.174 8.472 8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.276 8.057 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.972 8.804 7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.233 6.232 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.694 6.746 9.011 1.00 0.00 H new ATOM 888 N PRO A 63 -10.153 6.839 5.810 1.00 0.00 N ATOM 889 CA PRO A 63 -10.742 6.640 4.482 1.00 0.00 C ATOM 890 C PRO A 63 -10.010 7.425 3.399 1.00 0.00 C ATOM 891 O PRO A 63 -9.565 8.550 3.628 1.00 0.00 O ATOM 892 CB PRO A 63 -12.172 7.160 4.646 1.00 0.00 C ATOM 893 CG PRO A 63 -12.089 8.151 5.755 1.00 0.00 C ATOM 894 CD PRO A 63 -11.026 7.639 6.689 1.00 0.00 C ATOM 0 HA PRO A 63 -10.687 5.599 4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.533 7.623 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.862 6.352 4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.832 9.140 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.047 8.245 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.480 8.455 7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.452 7.034 7.490 1.00 0.00 H new ATOM 902 N LYS A 64 -9.889 6.824 2.221 1.00 0.00 N ATOM 903 CA LYS A 64 -9.210 7.466 1.100 1.00 0.00 C ATOM 904 C LYS A 64 -7.752 7.758 1.443 1.00 0.00 C ATOM 905 O LYS A 64 -7.333 8.915 1.489 1.00 0.00 O ATOM 906 CB LYS A 64 -9.929 8.761 0.715 1.00 0.00 C ATOM 907 CG LYS A 64 -11.191 8.536 -0.102 1.00 0.00 C ATOM 908 CD LYS A 64 -12.281 7.868 0.722 1.00 0.00 C ATOM 909 CE LYS A 64 -12.541 6.444 0.256 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.454 6.403 -0.920 1.00 0.00 N ATOM 0 H LYS A 64 -10.252 5.893 2.017 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.233 6.782 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.186 9.308 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.245 9.391 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.555 9.491 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.958 7.917 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.991 7.860 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.200 8.449 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.595 5.968 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.975 5.868 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.606 5.415 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.366 6.834 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.028 6.931 -1.708 1.00 0.00 H new ATOM 924 N PHE A 65 -6.983 6.702 1.685 1.00 0.00 N ATOM 925 CA PHE A 65 -5.571 6.845 2.024 1.00 0.00 C ATOM 926 C PHE A 65 -4.814 5.545 1.771 1.00 0.00 C ATOM 927 O PHE A 65 -3.724 5.553 1.200 1.00 0.00 O ATOM 928 CB PHE A 65 -5.417 7.263 3.487 1.00 0.00 C ATOM 929 CG PHE A 65 -5.551 8.743 3.705 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.521 9.603 3.363 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.708 9.273 4.252 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.642 10.966 3.561 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.835 10.635 4.454 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.801 11.482 4.108 1.00 0.00 C ATOM 0 H PHE A 65 -7.313 5.737 1.653 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.147 7.619 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.168 6.746 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.442 6.937 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.612 9.204 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.520 8.615 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.832 11.626 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.742 11.036 4.882 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.898 12.546 4.265 1.00 0.00 H new ATOM 944 N GLY A 66 -5.399 4.431 2.201 1.00 0.00 N ATOM 945 CA GLY A 66 -4.763 3.141 2.012 1.00 0.00 C ATOM 946 C GLY A 66 -5.028 2.560 0.636 1.00 0.00 C ATOM 947 O GLY A 66 -6.178 2.326 0.265 1.00 0.00 O ATOM 0 H GLY A 66 -6.301 4.399 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.688 3.244 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.123 2.447 2.772 1.00 0.00 H new ATOM 951 N LEU A 67 -3.960 2.327 -0.120 1.00 0.00 N ATOM 952 CA LEU A 67 -4.081 1.769 -1.463 1.00 0.00 C ATOM 953 C LEU A 67 -3.384 0.416 -1.555 1.00 0.00 C ATOM 954 O LEU A 67 -2.180 0.310 -1.326 1.00 0.00 O ATOM 955 CB LEU A 67 -3.489 2.732 -2.493 1.00 0.00 C ATOM 956 CG LEU A 67 -3.654 2.302 -3.951 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.125 2.101 -4.286 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.030 3.331 -4.883 1.00 0.00 C ATOM 0 H LEU A 67 -3.002 2.516 0.174 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.140 1.626 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.954 3.709 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.426 2.855 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.138 1.352 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.222 1.795 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.543 1.329 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.665 3.035 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.156 3.009 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.519 4.295 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.967 3.427 -4.660 1.00 0.00 H new ATOM 970 N PHE A 68 -4.149 -0.616 -1.893 1.00 0.00 N ATOM 971 CA PHE A 68 -3.606 -1.964 -2.017 1.00 0.00 C ATOM 972 C PHE A 68 -3.087 -2.213 -3.429 1.00 0.00 C ATOM 973 O PHE A 68 -3.856 -2.234 -4.389 1.00 0.00 O ATOM 974 CB PHE A 68 -4.672 -3.002 -1.663 1.00 0.00 C ATOM 975 CG PHE A 68 -4.930 -3.120 -0.188 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.940 -3.576 0.668 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.162 -2.773 0.343 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.175 -3.685 2.025 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.403 -2.880 1.699 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.408 -3.336 2.541 1.00 0.00 C ATOM 0 H PHE A 68 -5.148 -0.545 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.773 -2.058 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.603 -2.741 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.363 -3.974 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.974 -3.849 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.943 -2.415 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.396 -4.043 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.368 -2.607 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.594 -3.420 3.602 1.00 0.00 H new ATOM 990 N ALA A 69 -1.776 -2.402 -3.548 1.00 0.00 N ATOM 991 CA ALA A 69 -1.155 -2.649 -4.843 1.00 0.00 C ATOM 992 C ALA A 69 -0.217 -3.853 -4.781 1.00 0.00 C ATOM 993 O ALA A 69 0.396 -4.119 -3.748 1.00 0.00 O ATOM 994 CB ALA A 69 -0.401 -1.413 -5.311 1.00 0.00 C ATOM 0 H ALA A 69 -1.125 -2.389 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.944 -2.873 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.058 -1.612 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.094 -0.577 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.374 -1.164 -4.587 1.00 0.00 H new ATOM 1000 N PRO A 70 -0.094 -4.601 -5.892 1.00 0.00 N ATOM 1001 CA PRO A 70 0.776 -5.780 -5.956 1.00 0.00 C ATOM 1002 C PRO A 70 2.210 -5.464 -5.544 1.00 0.00 C ATOM 1003 O PRO A 70 2.651 -4.319 -5.630 1.00 0.00 O ATOM 1004 CB PRO A 70 0.722 -6.188 -7.431 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.561 -5.628 -7.937 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.788 -4.355 -7.170 1.00 0.00 C ATOM 0 HA PRO A 70 0.448 -6.563 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.573 -5.788 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.751 -7.272 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.507 -5.434 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.381 -6.329 -7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.375 -3.492 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.850 -4.159 -7.020 1.00 0.00 H new ATOM 1014 N ILE A 71 2.931 -6.487 -5.099 1.00 0.00 N ATOM 1015 CA ILE A 71 4.316 -6.315 -4.675 1.00 0.00 C ATOM 1016 C ILE A 71 5.177 -5.791 -5.821 1.00 0.00 C ATOM 1017 O ILE A 71 5.973 -4.868 -5.640 1.00 0.00 O ATOM 1018 CB ILE A 71 4.913 -7.639 -4.154 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.330 -7.413 -3.621 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.914 -8.693 -5.250 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.676 -8.287 -2.435 1.00 0.00 C ATOM 0 H ILE A 71 2.581 -7.442 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 71 4.314 -5.586 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 71 4.291 -7.999 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.045 -7.601 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.440 -6.367 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.339 -9.619 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.892 -8.873 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.512 -8.343 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.694 -8.073 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.984 -8.082 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.599 -9.336 -2.721 1.00 0.00 H new ATOM 1033 N HIS A 72 5.010 -6.381 -7.000 1.00 0.00 N ATOM 1034 CA HIS A 72 5.771 -5.971 -8.174 1.00 0.00 C ATOM 1035 C HIS A 72 5.437 -4.534 -8.570 1.00 0.00 C ATOM 1036 O HIS A 72 6.198 -3.888 -9.292 1.00 0.00 O ATOM 1037 CB HIS A 72 5.489 -6.914 -9.345 1.00 0.00 C ATOM 1038 CG HIS A 72 4.033 -7.183 -9.562 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.356 -8.242 -8.999 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.118 -6.505 -10.301 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.081 -8.177 -9.405 1.00 0.00 C ATOM 1042 NE2 HIS A 72 1.884 -7.141 -10.196 1.00 0.00 N ATOM 0 H HIS A 72 4.355 -7.144 -7.168 1.00 0.00 H new ATOM 0 HA HIS A 72 6.830 -6.020 -7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.910 -6.486 -10.255 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.002 -7.860 -9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.316 -5.614 -10.878 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.314 -8.882 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.009 -6.863 -10.639 1.00 0.00 H new ATOM 1050 N LYS A 73 4.297 -4.038 -8.095 1.00 0.00 N ATOM 1051 CA LYS A 73 3.870 -2.677 -8.403 1.00 0.00 C ATOM 1052 C LYS A 73 4.292 -1.705 -7.304 1.00 0.00 C ATOM 1053 O LYS A 73 3.706 -0.633 -7.155 1.00 0.00 O ATOM 1054 CB LYS A 73 2.351 -2.629 -8.584 1.00 0.00 C ATOM 1055 CG LYS A 73 1.875 -3.225 -9.900 1.00 0.00 C ATOM 1056 CD LYS A 73 1.270 -2.167 -10.808 1.00 0.00 C ATOM 1057 CE LYS A 73 0.807 -2.764 -12.127 1.00 0.00 C ATOM 1058 NZ LYS A 73 -0.332 -2.004 -12.713 1.00 0.00 N ATOM 0 H LYS A 73 3.654 -4.557 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 73 4.354 -2.375 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.878 -3.164 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.019 -1.593 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.713 -3.704 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.136 -4.001 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.426 -1.694 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.006 -1.386 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.638 -2.773 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.509 -3.801 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.617 -2.444 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.134 -2.016 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.041 -1.021 -12.886 1.00 0.00 H new ATOM 1072 N VAL A 74 5.311 -2.084 -6.535 1.00 0.00 N ATOM 1073 CA VAL A 74 5.805 -1.240 -5.455 1.00 0.00 C ATOM 1074 C VAL A 74 7.283 -0.917 -5.644 1.00 0.00 C ATOM 1075 O VAL A 74 8.152 -1.732 -5.330 1.00 0.00 O ATOM 1076 CB VAL A 74 5.610 -1.912 -4.083 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.944 -0.942 -2.959 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.189 -2.435 -3.941 1.00 0.00 C ATOM 0 H VAL A 74 5.808 -2.968 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 74 5.226 -0.317 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 74 6.293 -2.759 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.800 -1.435 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.982 -0.622 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.290 -0.073 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.071 -2.906 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.486 -1.607 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.991 -3.167 -4.724 1.00 0.00 H new ATOM 1088 N ILE A 75 7.562 0.276 -6.157 1.00 0.00 N ATOM 1089 CA ILE A 75 8.934 0.707 -6.388 1.00 0.00 C ATOM 1090 C ILE A 75 9.478 1.478 -5.191 1.00 0.00 C ATOM 1091 O ILE A 75 9.112 2.631 -4.964 1.00 0.00 O ATOM 1092 CB ILE A 75 9.042 1.593 -7.644 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.325 0.934 -8.823 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.501 1.854 -7.984 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.193 1.835 -10.030 1.00 0.00 C ATOM 0 H ILE A 75 6.855 0.962 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 75 9.526 -0.196 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 75 8.560 2.549 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.867 0.033 -9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.331 0.620 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.561 2.481 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.984 2.362 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.006 0.907 -8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.675 1.302 -10.827 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.625 2.725 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.184 2.129 -10.375 1.00 0.00 H new ATOM 1107 N ARG A 76 10.353 0.833 -4.425 1.00 0.00 N ATOM 1108 CA ARG A 76 10.948 1.458 -3.250 1.00 0.00 C ATOM 1109 C ARG A 76 11.775 2.677 -3.643 1.00 0.00 C ATOM 1110 O ARG A 76 12.633 2.600 -4.524 1.00 0.00 O ATOM 1111 CB ARG A 76 11.819 0.450 -2.497 1.00 0.00 C ATOM 1112 CG ARG A 76 11.242 0.031 -1.154 1.00 0.00 C ATOM 1113 CD ARG A 76 12.080 -1.056 -0.501 1.00 0.00 C ATOM 1114 NE ARG A 76 12.264 -0.819 0.929 1.00 0.00 N ATOM 1115 CZ ARG A 76 12.978 0.187 1.428 1.00 0.00 C ATOM 1116 NH1 ARG A 76 13.576 1.052 0.617 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.094 0.330 2.740 1.00 0.00 N ATOM 0 H ARG A 76 10.665 -0.123 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 76 10.142 1.788 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.954 -0.436 -3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.807 0.882 -2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.189 0.897 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.222 -0.328 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.599 -2.023 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.054 -1.106 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 76 11.819 -1.463 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.489 0.947 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.122 1.821 1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.636 -0.331 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.641 1.101 3.123 1.00 0.00 H new ATOM 1131 N ILE A 77 11.514 3.802 -2.985 1.00 0.00 N ATOM 1132 CA ILE A 77 12.235 5.037 -3.265 1.00 0.00 C ATOM 1133 C ILE A 77 13.083 5.462 -2.072 1.00 0.00 C ATOM 1134 O ILE A 77 14.191 5.973 -2.235 1.00 0.00 O ATOM 1135 CB ILE A 77 11.270 6.183 -3.627 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.169 6.303 -2.570 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.667 5.953 -5.005 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.266 7.500 -2.774 1.00 0.00 C ATOM 0 H ILE A 77 10.808 3.883 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 77 12.885 4.836 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 77 11.830 7.118 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.565 5.396 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.628 6.368 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.988 6.771 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.463 5.911 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.117 5.012 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.509 7.523 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.859 8.414 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.779 7.427 -3.746 1.00 0.00 H new ATOM 1150 N GLY A 78 12.555 5.249 -0.871 1.00 0.00 N ATOM 1151 CA GLY A 78 13.277 5.615 0.333 1.00 0.00 C ATOM 1152 C GLY A 78 14.554 4.817 0.508 1.00 0.00 C ATOM 1153 O GLY A 78 14.516 3.597 0.662 1.00 0.00 O ATOM 0 H GLY A 78 11.639 4.829 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.518 6.678 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.634 5.461 1.200 1.00 0.00 H new ATOM 1157 N SER A 79 15.690 5.509 0.486 1.00 0.00 N ATOM 1158 CA SER A 79 16.985 4.857 0.644 1.00 0.00 C ATOM 1159 C SER A 79 18.026 5.838 1.171 1.00 0.00 C ATOM 1160 O SER A 79 18.776 6.437 0.401 1.00 0.00 O ATOM 1161 CB SER A 79 17.450 4.271 -0.690 1.00 0.00 C ATOM 1162 OG SER A 79 16.487 3.376 -1.219 1.00 0.00 O ATOM 0 H SER A 79 15.739 6.520 0.360 1.00 0.00 H new ATOM 0 HA SER A 79 16.872 4.050 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.631 5.077 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.397 3.750 -0.551 1.00 0.00 H new ATOM 0 HG SER A 79 16.808 3.017 -2.072 1.00 0.00 H new ATOM 1168 N GLY A 80 18.066 5.999 2.490 1.00 0.00 N ATOM 1169 CA GLY A 80 19.019 6.908 3.099 1.00 0.00 C ATOM 1170 C GLY A 80 18.852 7.005 4.605 1.00 0.00 C ATOM 1171 O GLY A 80 18.528 8.071 5.127 1.00 0.00 O ATOM 0 H GLY A 80 17.455 5.516 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.031 6.575 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.903 7.899 2.660 1.00 0.00 H new ATOM 1175 N PRO A 81 19.067 5.897 5.334 1.00 0.00 N ATOM 1176 CA PRO A 81 18.934 5.875 6.795 1.00 0.00 C ATOM 1177 C PRO A 81 20.038 6.666 7.488 1.00 0.00 C ATOM 1178 O PRO A 81 19.776 7.446 8.404 1.00 0.00 O ATOM 1179 CB PRO A 81 19.044 4.389 7.140 1.00 0.00 C ATOM 1180 CG PRO A 81 19.828 3.796 6.022 1.00 0.00 C ATOM 1181 CD PRO A 81 19.456 4.580 4.794 1.00 0.00 C ATOM 0 HA PRO A 81 18.003 6.335 7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.545 4.241 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.060 3.928 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.898 3.862 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.591 2.739 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.293 4.661 4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.636 4.110 4.251 1.00 0.00 H new ATOM 1189 N SER A 82 21.274 6.461 7.045 1.00 0.00 N ATOM 1190 CA SER A 82 22.418 7.156 7.622 1.00 0.00 C ATOM 1191 C SER A 82 22.589 8.537 6.998 1.00 0.00 C ATOM 1192 O SER A 82 22.010 8.832 5.953 1.00 0.00 O ATOM 1193 CB SER A 82 23.694 6.334 7.426 1.00 0.00 C ATOM 1194 OG SER A 82 23.924 6.070 6.053 1.00 0.00 O ATOM 0 H SER A 82 21.509 5.819 6.288 1.00 0.00 H new ATOM 0 HA SER A 82 22.234 7.280 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 82 24.545 6.872 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.612 5.394 7.972 1.00 0.00 H new ATOM 0 HG SER A 82 24.746 5.545 5.954 1.00 0.00 H new ATOM 1200 N SER A 83 23.387 9.378 7.645 1.00 0.00 N ATOM 1201 CA SER A 83 23.633 10.729 7.153 1.00 0.00 C ATOM 1202 C SER A 83 22.335 11.526 7.078 1.00 0.00 C ATOM 1203 O SER A 83 21.707 11.609 6.024 1.00 0.00 O ATOM 1204 CB SER A 83 24.296 10.679 5.775 1.00 0.00 C ATOM 1205 OG SER A 83 25.216 9.605 5.690 1.00 0.00 O ATOM 0 H SER A 83 23.875 9.149 8.511 1.00 0.00 H new ATOM 0 HA SER A 83 24.303 11.228 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.533 10.570 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.812 11.620 5.582 1.00 0.00 H new ATOM 0 HG SER A 83 25.625 9.594 4.799 1.00 0.00 H new ATOM 1211 N GLY A 84 21.940 12.110 8.205 1.00 0.00 N ATOM 1212 CA GLY A 84 20.719 12.892 8.246 1.00 0.00 C ATOM 1213 C GLY A 84 20.884 14.183 9.023 1.00 0.00 C ATOM 1214 O GLY A 84 19.915 14.970 9.080 1.00 0.00 O ATOM 1215 OXT GLY A 84 21.981 14.409 9.575 1.00 0.00 O ATOM 0 H GLY A 84 22.444 12.055 9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.404 13.122 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.925 12.298 8.699 1.00 0.00 H new TER 1219 GLY A 84