USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 756 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 1 MET CE :methyl -145:sc= 0 (180deg=-0.18) USER MOD Set 1.2: A 3 SER OG : rot -170:sc= 0.192 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0357 USER MOD Single : A 8 MET CE :methyl -164:sc= -0.418 (180deg=-0.801) USER MOD Single : A 12 THR OG1 : rot -90:sc= 0.365 USER MOD Single : A 16 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-3.1) USER MOD Single : A 18 THR OG1 : rot -160:sc= -0.871 USER MOD Single : A 23 LYS NZ :NH3+ 169:sc=-0.00532 (180deg=-0.149) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -2.12 (180deg=-2.49!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 34 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.29) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -83:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 51 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.3!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0442 (180deg=-0.253) USER MOD Single : A 67 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.00033) USER MOD Single : A 70 GLN : amide:sc= -3.41! K(o=-3.4!,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0386) USER MOD Single : A 73 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.66) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -159:sc= -0.127 (180deg=-0.68) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.699 K(o=-0.7,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -0.536 (180deg=-1.01) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= -1.58! (180deg=-1.85!) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.223 (180deg=-0.51) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0517 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.283 -2.101 14.012 1.00 0.00 N ATOM 2 CA MET A 1 -8.058 -1.265 14.114 1.00 0.00 C ATOM 3 C MET A 1 -7.686 -0.684 12.754 1.00 0.00 C ATOM 4 O MET A 1 -7.299 -1.416 11.843 1.00 0.00 O ATOM 5 CB MET A 1 -6.896 -2.100 14.657 1.00 0.00 C ATOM 6 CG MET A 1 -5.651 -1.283 14.963 1.00 0.00 C ATOM 7 SD MET A 1 -5.899 -0.118 16.318 1.00 0.00 S ATOM 8 CE MET A 1 -4.272 0.620 16.431 1.00 0.00 C ATOM 0 H1 MET A 1 -9.519 -2.487 14.949 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.073 -1.519 13.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.115 -2.883 13.348 1.00 0.00 H new ATOM 0 HA MET A 1 -8.261 -0.442 14.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.219 -2.609 15.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.644 -2.873 13.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.832 -1.957 15.214 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.351 -0.736 14.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.045 0.842 17.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.529 -0.074 16.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.250 1.542 15.851 1.00 0.00 H new ATOM 20 N GLU A 2 -7.807 0.634 12.625 1.00 0.00 N ATOM 21 CA GLU A 2 -7.483 1.312 11.373 1.00 0.00 C ATOM 22 C GLU A 2 -6.035 1.050 10.967 1.00 0.00 C ATOM 23 O GLU A 2 -5.733 0.895 9.784 1.00 0.00 O ATOM 24 CB GLU A 2 -7.729 2.821 11.494 1.00 0.00 C ATOM 25 CG GLU A 2 -6.853 3.513 12.529 1.00 0.00 C ATOM 26 CD GLU A 2 -7.213 3.135 13.952 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.209 3.676 14.477 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.500 2.297 14.542 1.00 0.00 O ATOM 0 H GLU A 2 -8.126 1.253 13.370 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.137 0.910 10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.560 3.285 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.775 2.988 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.810 3.258 12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.943 4.593 12.411 1.00 0.00 H new ATOM 35 N SER A 3 -5.145 0.995 11.955 1.00 0.00 N ATOM 36 CA SER A 3 -3.731 0.748 11.696 1.00 0.00 C ATOM 37 C SER A 3 -3.535 -0.602 11.017 1.00 0.00 C ATOM 38 O SER A 3 -2.573 -0.803 10.274 1.00 0.00 O ATOM 39 CB SER A 3 -2.934 0.797 12.999 1.00 0.00 C ATOM 40 OG SER A 3 -3.063 2.059 13.629 1.00 0.00 O ATOM 0 H SER A 3 -5.378 1.118 12.940 1.00 0.00 H new ATOM 0 HA SER A 3 -3.367 1.529 11.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.283 0.014 13.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.883 0.595 12.794 1.00 0.00 H new ATOM 0 HG SER A 3 -2.425 2.121 14.370 1.00 0.00 H new ATOM 46 N GLU A 4 -4.452 -1.526 11.282 1.00 0.00 N ATOM 47 CA GLU A 4 -4.388 -2.860 10.695 1.00 0.00 C ATOM 48 C GLU A 4 -4.819 -2.826 9.232 1.00 0.00 C ATOM 49 O GLU A 4 -4.186 -3.440 8.375 1.00 0.00 O ATOM 50 CB GLU A 4 -5.273 -3.831 11.479 1.00 0.00 C ATOM 51 CG GLU A 4 -5.255 -5.249 10.932 1.00 0.00 C ATOM 52 CD GLU A 4 -6.154 -6.187 11.714 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.344 -6.304 11.354 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.668 -6.803 12.685 1.00 0.00 O ATOM 0 H GLU A 4 -5.249 -1.376 11.900 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.355 -3.205 10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.947 -3.848 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.298 -3.461 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.570 -5.236 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.234 -5.629 10.952 1.00 0.00 H new ATOM 61 N TYR A 5 -5.898 -2.102 8.957 1.00 0.00 N ATOM 62 CA TYR A 5 -6.423 -1.988 7.601 1.00 0.00 C ATOM 63 C TYR A 5 -5.423 -1.300 6.678 1.00 0.00 C ATOM 64 O TYR A 5 -5.387 -1.573 5.481 1.00 0.00 O ATOM 65 CB TYR A 5 -7.744 -1.212 7.610 1.00 0.00 C ATOM 66 CG TYR A 5 -8.275 -0.887 6.231 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.674 -1.895 5.363 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.376 0.430 5.799 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.156 -1.600 4.102 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.858 0.732 4.540 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.247 -0.286 3.696 1.00 0.00 C ATOM 72 OH TYR A 5 -9.730 0.010 2.442 1.00 0.00 O ATOM 0 H TYR A 5 -6.428 -1.584 9.658 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.599 -2.995 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.492 -1.794 8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.604 -0.283 8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.607 -2.926 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.073 1.230 6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.460 -2.395 3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.930 1.761 4.219 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.731 0.981 2.313 1.00 0.00 H new ATOM 82 N ARG A 6 -4.618 -0.407 7.239 1.00 0.00 N ATOM 83 CA ARG A 6 -3.624 0.321 6.458 1.00 0.00 C ATOM 84 C ARG A 6 -2.355 -0.506 6.256 1.00 0.00 C ATOM 85 O ARG A 6 -1.952 -0.771 5.125 1.00 0.00 O ATOM 86 CB ARG A 6 -3.286 1.647 7.144 1.00 0.00 C ATOM 87 CG ARG A 6 -4.494 2.545 7.356 1.00 0.00 C ATOM 88 CD ARG A 6 -4.130 3.810 8.117 1.00 0.00 C ATOM 89 NE ARG A 6 -3.628 3.520 9.457 1.00 0.00 N ATOM 90 CZ ARG A 6 -3.197 4.452 10.302 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.207 5.730 9.946 1.00 0.00 N ATOM 92 NH2 ARG A 6 -2.757 4.104 11.504 1.00 0.00 N ATOM 0 H ARG A 6 -4.633 -0.169 8.231 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.051 0.522 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.823 1.440 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.548 2.180 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.922 2.812 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.261 1.999 7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.374 4.363 7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.007 4.453 8.190 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.607 2.547 9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.546 6.000 9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.876 6.443 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.749 3.122 11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.426 4.818 12.153 1.00 0.00 H new ATOM 106 N GLU A 7 -1.737 -0.915 7.359 1.00 0.00 N ATOM 107 CA GLU A 7 -0.502 -1.697 7.309 1.00 0.00 C ATOM 108 C GLU A 7 -0.676 -3.007 6.539 1.00 0.00 C ATOM 109 O GLU A 7 0.087 -3.298 5.617 1.00 0.00 O ATOM 110 CB GLU A 7 -0.012 -1.992 8.729 1.00 0.00 C ATOM 111 CG GLU A 7 1.188 -2.924 8.780 1.00 0.00 C ATOM 112 CD GLU A 7 1.699 -3.145 10.190 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.147 -4.019 10.891 1.00 0.00 O ATOM 114 OE2 GLU A 7 2.649 -2.442 10.594 1.00 0.00 O ATOM 0 H GLU A 7 -2.071 -0.718 8.303 1.00 0.00 H new ATOM 0 HA GLU A 7 0.239 -1.100 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.248 -1.052 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.828 -2.433 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.916 -3.884 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.990 -2.511 8.168 1.00 0.00 H new ATOM 121 N MET A 8 -1.678 -3.794 6.921 1.00 0.00 N ATOM 122 CA MET A 8 -1.933 -5.082 6.277 1.00 0.00 C ATOM 123 C MET A 8 -2.226 -4.929 4.785 1.00 0.00 C ATOM 124 O MET A 8 -1.765 -5.730 3.972 1.00 0.00 O ATOM 125 CB MET A 8 -3.100 -5.792 6.966 1.00 0.00 C ATOM 126 CG MET A 8 -3.444 -7.141 6.356 1.00 0.00 C ATOM 127 SD MET A 8 -4.788 -7.974 7.225 1.00 0.00 S ATOM 128 CE MET A 8 -4.081 -8.153 8.861 1.00 0.00 C ATOM 0 H MET A 8 -2.327 -3.564 7.673 1.00 0.00 H new ATOM 0 HA MET A 8 -1.028 -5.681 6.376 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.857 -5.931 8.019 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.980 -5.150 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.723 -7.003 5.311 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.559 -7.777 6.368 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.655 -8.886 9.427 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.048 -8.489 8.776 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.109 -7.193 9.377 1.00 0.00 H new ATOM 138 N LEU A 9 -2.987 -3.902 4.431 1.00 0.00 N ATOM 139 CA LEU A 9 -3.352 -3.662 3.037 1.00 0.00 C ATOM 140 C LEU A 9 -2.119 -3.419 2.167 1.00 0.00 C ATOM 141 O LEU A 9 -2.099 -3.787 0.993 1.00 0.00 O ATOM 142 CB LEU A 9 -4.315 -2.468 2.953 1.00 0.00 C ATOM 143 CG LEU A 9 -4.864 -2.120 1.561 1.00 0.00 C ATOM 144 CD1 LEU A 9 -3.881 -1.251 0.792 1.00 0.00 C ATOM 145 CD2 LEU A 9 -5.198 -3.382 0.774 1.00 0.00 C ATOM 0 H LEU A 9 -3.365 -3.220 5.089 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.849 -4.554 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.160 -2.666 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.803 -1.590 3.346 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.785 -1.553 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.292 -1.018 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.707 -0.326 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.939 -1.786 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.585 -3.107 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.298 -3.985 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.951 -3.958 1.312 1.00 0.00 H new ATOM 157 N LEU A 10 -1.093 -2.802 2.744 1.00 0.00 N ATOM 158 CA LEU A 10 0.128 -2.502 2.002 1.00 0.00 C ATOM 159 C LEU A 10 1.090 -3.688 1.951 1.00 0.00 C ATOM 160 O LEU A 10 1.488 -4.119 0.871 1.00 0.00 O ATOM 161 CB LEU A 10 0.835 -1.286 2.606 1.00 0.00 C ATOM 162 CG LEU A 10 0.361 0.075 2.087 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.578 0.186 0.584 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.102 0.307 2.432 1.00 0.00 C ATOM 0 H LEU A 10 -1.081 -2.501 3.718 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.173 -2.281 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.702 -1.310 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.904 -1.376 2.414 1.00 0.00 H new ATOM 0 HG LEU A 10 0.954 0.847 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.234 1.161 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.639 0.075 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.016 -0.598 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.415 1.280 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.711 -0.473 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.229 0.281 3.514 1.00 0.00 H new ATOM 176 N LEU A 11 1.465 -4.209 3.118 1.00 0.00 N ATOM 177 CA LEU A 11 2.404 -5.329 3.191 1.00 0.00 C ATOM 178 C LEU A 11 1.956 -6.511 2.332 1.00 0.00 C ATOM 179 O LEU A 11 2.777 -7.330 1.921 1.00 0.00 O ATOM 180 CB LEU A 11 2.613 -5.770 4.644 1.00 0.00 C ATOM 181 CG LEU A 11 1.363 -6.253 5.388 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.058 -7.707 5.057 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.544 -6.080 6.888 1.00 0.00 C ATOM 0 H LEU A 11 1.135 -3.875 4.024 1.00 0.00 H new ATOM 0 HA LEU A 11 3.355 -4.977 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.351 -6.572 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.041 -4.934 5.198 1.00 0.00 H new ATOM 0 HG LEU A 11 0.518 -5.647 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.167 -8.024 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.887 -7.808 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.902 -8.332 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.649 -6.427 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.404 -6.662 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.709 -5.027 7.115 1.00 0.00 H new ATOM 195 N THR A 12 0.656 -6.601 2.062 1.00 0.00 N ATOM 196 CA THR A 12 0.123 -7.691 1.250 1.00 0.00 C ATOM 197 C THR A 12 0.589 -7.587 -0.200 1.00 0.00 C ATOM 198 O THR A 12 0.238 -8.421 -1.035 1.00 0.00 O ATOM 199 CB THR A 12 -1.415 -7.729 1.285 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.944 -6.402 1.186 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.911 -8.389 2.562 1.00 0.00 C ATOM 0 H THR A 12 -0.044 -5.936 2.392 1.00 0.00 H new ATOM 0 HA THR A 12 0.508 -8.614 1.683 1.00 0.00 H new ATOM 0 HB THR A 12 -1.760 -8.317 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.054 -6.026 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.001 -8.404 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.534 -9.410 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.554 -7.826 3.425 1.00 0.00 H new ATOM 209 N GLY A 13 1.376 -6.556 -0.493 1.00 0.00 N ATOM 210 CA GLY A 13 1.883 -6.367 -1.839 1.00 0.00 C ATOM 211 C GLY A 13 3.399 -6.317 -1.882 1.00 0.00 C ATOM 212 O GLY A 13 4.020 -6.910 -2.765 1.00 0.00 O ATOM 0 H GLY A 13 1.671 -5.848 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.530 -7.179 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.479 -5.442 -2.250 1.00 0.00 H new ATOM 216 N LEU A 14 3.995 -5.608 -0.925 1.00 0.00 N ATOM 217 CA LEU A 14 5.449 -5.483 -0.854 1.00 0.00 C ATOM 218 C LEU A 14 6.103 -6.850 -0.659 1.00 0.00 C ATOM 219 O LEU A 14 7.073 -7.189 -1.337 1.00 0.00 O ATOM 220 CB LEU A 14 5.856 -4.555 0.300 1.00 0.00 C ATOM 221 CG LEU A 14 5.591 -3.057 0.093 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.284 -2.552 -1.165 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.097 -2.776 0.028 1.00 0.00 C ATOM 0 H LEU A 14 3.493 -5.112 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 14 5.792 -5.056 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.329 -4.875 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.921 -4.691 0.490 1.00 0.00 H new ATOM 0 HG LEU A 14 6.003 -2.522 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.081 -1.488 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.359 -2.709 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.908 -3.097 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.934 -1.708 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.659 -3.328 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.627 -3.090 0.960 1.00 0.00 H new ATOM 235 N ASP A 15 5.563 -7.626 0.276 1.00 0.00 N ATOM 236 CA ASP A 15 6.091 -8.953 0.577 1.00 0.00 C ATOM 237 C ASP A 15 5.718 -9.962 -0.510 1.00 0.00 C ATOM 238 O ASP A 15 6.166 -11.109 -0.484 1.00 0.00 O ATOM 239 CB ASP A 15 5.567 -9.428 1.936 1.00 0.00 C ATOM 240 CG ASP A 15 6.109 -10.789 2.328 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.223 -10.844 2.891 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.421 -11.798 2.072 1.00 0.00 O ATOM 0 H ASP A 15 4.757 -7.357 0.840 1.00 0.00 H new ATOM 0 HA ASP A 15 7.178 -8.883 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.838 -8.700 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.478 -9.469 1.907 1.00 0.00 H new ATOM 247 N HIS A 16 4.904 -9.529 -1.468 1.00 0.00 N ATOM 248 CA HIS A 16 4.470 -10.405 -2.552 1.00 0.00 C ATOM 249 C HIS A 16 5.088 -9.996 -3.888 1.00 0.00 C ATOM 250 O HIS A 16 4.622 -10.416 -4.947 1.00 0.00 O ATOM 251 CB HIS A 16 2.944 -10.394 -2.658 1.00 0.00 C ATOM 252 CG HIS A 16 2.262 -11.061 -1.503 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.915 -10.414 -0.338 1.00 0.00 N ATOM 254 CD2 HIS A 16 1.860 -12.349 -1.351 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.328 -11.308 0.469 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.269 -12.497 -0.098 1.00 0.00 N ATOM 0 H HIS A 16 4.533 -8.580 -1.516 1.00 0.00 H new ATOM 0 HA HIS A 16 4.811 -11.414 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.600 -9.362 -2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.648 -10.891 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.979 -13.133 -2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.952 -11.084 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 16 0.873 -13.349 0.299 1.00 0.00 H new ATOM 264 N ILE A 17 6.138 -9.182 -3.835 1.00 0.00 N ATOM 265 CA ILE A 17 6.814 -8.732 -5.048 1.00 0.00 C ATOM 266 C ILE A 17 8.329 -8.821 -4.900 1.00 0.00 C ATOM 267 O ILE A 17 8.844 -9.044 -3.804 1.00 0.00 O ATOM 268 CB ILE A 17 6.425 -7.285 -5.413 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.776 -6.331 -4.269 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.941 -7.207 -5.743 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.575 -4.872 -4.613 1.00 0.00 C ATOM 0 H ILE A 17 6.538 -8.821 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 17 6.491 -9.395 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 17 6.991 -6.982 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.165 -6.578 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.816 -6.488 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.679 -6.180 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.721 -7.859 -6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.359 -7.525 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.844 -4.256 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.206 -4.608 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.530 -4.700 -4.871 1.00 0.00 H new ATOM 283 N THR A 18 9.039 -8.644 -6.011 1.00 0.00 N ATOM 284 CA THR A 18 10.496 -8.710 -6.006 1.00 0.00 C ATOM 285 C THR A 18 11.114 -7.345 -5.724 1.00 0.00 C ATOM 286 O THR A 18 10.410 -6.339 -5.632 1.00 0.00 O ATOM 287 CB THR A 18 11.040 -9.242 -7.345 1.00 0.00 C ATOM 288 OG1 THR A 18 10.492 -8.487 -8.431 1.00 0.00 O ATOM 289 CG2 THR A 18 10.700 -10.714 -7.523 1.00 0.00 C ATOM 0 H THR A 18 8.629 -8.454 -6.925 1.00 0.00 H new ATOM 0 HA THR A 18 10.775 -9.399 -5.209 1.00 0.00 H new ATOM 0 HB THR A 18 12.125 -9.135 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.573 -9.002 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.095 -11.066 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.143 -11.291 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.618 -10.842 -7.510 1.00 0.00 H new ATOM 297 N GLU A 19 12.437 -7.320 -5.592 1.00 0.00 N ATOM 298 CA GLU A 19 13.161 -6.084 -5.310 1.00 0.00 C ATOM 299 C GLU A 19 13.087 -5.113 -6.485 1.00 0.00 C ATOM 300 O GLU A 19 12.956 -3.904 -6.293 1.00 0.00 O ATOM 301 CB GLU A 19 14.624 -6.390 -4.981 1.00 0.00 C ATOM 302 CG GLU A 19 14.832 -6.975 -3.592 1.00 0.00 C ATOM 303 CD GLU A 19 14.073 -8.270 -3.380 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.538 -9.319 -3.874 1.00 0.00 O ATOM 305 OE2 GLU A 19 13.016 -8.236 -2.716 1.00 0.00 O ATOM 0 H GLU A 19 13.032 -8.145 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 19 12.687 -5.612 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.015 -7.088 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.206 -5.473 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.896 -7.152 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.515 -6.247 -2.845 1.00 0.00 H new ATOM 312 N GLU A 20 13.173 -5.645 -7.701 1.00 0.00 N ATOM 313 CA GLU A 20 13.122 -4.820 -8.903 1.00 0.00 C ATOM 314 C GLU A 20 11.825 -4.018 -8.971 1.00 0.00 C ATOM 315 O GLU A 20 11.807 -2.891 -9.466 1.00 0.00 O ATOM 316 CB GLU A 20 13.262 -5.691 -10.155 1.00 0.00 C ATOM 317 CG GLU A 20 12.170 -6.738 -10.293 1.00 0.00 C ATOM 318 CD GLU A 20 12.278 -7.528 -11.583 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.040 -8.518 -11.609 1.00 0.00 O ATOM 320 OE2 GLU A 20 11.600 -7.158 -12.565 1.00 0.00 O ATOM 0 H GLU A 20 13.278 -6.644 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 20 13.955 -4.119 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.252 -5.050 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.231 -6.189 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.220 -7.423 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.196 -6.250 -10.251 1.00 0.00 H new ATOM 327 N GLU A 21 10.739 -4.607 -8.479 1.00 0.00 N ATOM 328 CA GLU A 21 9.437 -3.948 -8.489 1.00 0.00 C ATOM 329 C GLU A 21 9.324 -2.908 -7.375 1.00 0.00 C ATOM 330 O GLU A 21 8.593 -1.925 -7.506 1.00 0.00 O ATOM 331 CB GLU A 21 8.320 -4.983 -8.349 1.00 0.00 C ATOM 332 CG GLU A 21 8.318 -6.026 -9.455 1.00 0.00 C ATOM 333 CD GLU A 21 7.158 -6.996 -9.341 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.285 -7.988 -8.592 1.00 0.00 O ATOM 335 OE2 GLU A 21 6.122 -6.764 -9.999 1.00 0.00 O ATOM 0 H GLU A 21 10.735 -5.540 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 21 9.336 -3.431 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.419 -5.485 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.358 -4.470 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.274 -5.525 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.255 -6.582 -9.427 1.00 0.00 H new ATOM 342 N LEU A 22 10.047 -3.130 -6.282 1.00 0.00 N ATOM 343 CA LEU A 22 10.018 -2.215 -5.144 1.00 0.00 C ATOM 344 C LEU A 22 10.435 -0.803 -5.547 1.00 0.00 C ATOM 345 O LEU A 22 9.746 0.168 -5.237 1.00 0.00 O ATOM 346 CB LEU A 22 10.936 -2.724 -4.029 1.00 0.00 C ATOM 347 CG LEU A 22 10.477 -4.014 -3.344 1.00 0.00 C ATOM 348 CD1 LEU A 22 11.542 -4.518 -2.383 1.00 0.00 C ATOM 349 CD2 LEU A 22 9.167 -3.787 -2.608 1.00 0.00 C ATOM 0 H LEU A 22 10.661 -3.935 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 22 8.991 -2.176 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.930 -2.886 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.030 -1.944 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 22 10.318 -4.772 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.197 -5.435 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.462 -4.718 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.731 -3.762 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.855 -4.714 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.304 -3.014 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.402 -3.470 -3.317 1.00 0.00 H new ATOM 361 N LYS A 23 11.559 -0.695 -6.246 1.00 0.00 N ATOM 362 CA LYS A 23 12.072 0.604 -6.676 1.00 0.00 C ATOM 363 C LYS A 23 11.116 1.296 -7.646 1.00 0.00 C ATOM 364 O LYS A 23 11.062 2.524 -7.703 1.00 0.00 O ATOM 365 CB LYS A 23 13.444 0.437 -7.330 1.00 0.00 C ATOM 366 CG LYS A 23 13.445 -0.523 -8.507 1.00 0.00 C ATOM 367 CD LYS A 23 14.843 -0.703 -9.076 1.00 0.00 C ATOM 368 CE LYS A 23 14.851 -1.696 -10.228 1.00 0.00 C ATOM 369 NZ LYS A 23 14.039 -1.216 -11.380 1.00 0.00 N ATOM 0 H LYS A 23 12.133 -1.489 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 23 12.164 1.232 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.797 1.412 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.153 0.082 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.052 -1.489 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.780 -0.148 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.224 0.259 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.515 -1.049 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.877 -1.867 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.462 -2.654 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.217 -1.822 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.029 -1.255 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.303 -0.236 -11.606 1.00 0.00 H new ATOM 383 N ARG A 24 10.367 0.504 -8.404 1.00 0.00 N ATOM 384 CA ARG A 24 9.423 1.047 -9.377 1.00 0.00 C ATOM 385 C ARG A 24 8.196 1.650 -8.697 1.00 0.00 C ATOM 386 O ARG A 24 7.675 2.676 -9.135 1.00 0.00 O ATOM 387 CB ARG A 24 8.991 -0.042 -10.360 1.00 0.00 C ATOM 388 CG ARG A 24 10.140 -0.619 -11.172 1.00 0.00 C ATOM 389 CD ARG A 24 9.666 -1.715 -12.112 1.00 0.00 C ATOM 390 NE ARG A 24 10.762 -2.269 -12.902 1.00 0.00 N ATOM 391 CZ ARG A 24 10.599 -3.182 -13.855 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.387 -3.645 -14.137 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.649 -3.633 -14.528 1.00 0.00 N ATOM 0 H ARG A 24 10.394 -0.515 -8.365 1.00 0.00 H new ATOM 0 HA ARG A 24 9.932 1.844 -9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.507 -0.847 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.246 0.370 -11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.614 0.176 -11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.897 -1.019 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.197 -2.511 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.903 -1.315 -12.780 1.00 0.00 H new ATOM 0 HE ARG A 24 11.707 -1.936 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.577 -3.300 -13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.266 -4.345 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.582 -3.280 -14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.524 -4.333 -15.259 1.00 0.00 H new ATOM 407 N PHE A 25 7.736 1.009 -7.627 1.00 0.00 N ATOM 408 CA PHE A 25 6.563 1.481 -6.898 1.00 0.00 C ATOM 409 C PHE A 25 6.863 2.762 -6.120 1.00 0.00 C ATOM 410 O PHE A 25 6.093 3.720 -6.170 1.00 0.00 O ATOM 411 CB PHE A 25 6.057 0.397 -5.945 1.00 0.00 C ATOM 412 CG PHE A 25 4.812 0.786 -5.197 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.603 0.920 -5.860 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.853 1.018 -3.832 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.457 1.277 -5.174 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.710 1.376 -3.141 1.00 0.00 C ATOM 417 CZ PHE A 25 2.510 1.505 -3.814 1.00 0.00 C ATOM 0 H PHE A 25 8.157 0.162 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 25 5.788 1.706 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.860 -0.512 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.843 0.160 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.555 0.744 -6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.788 0.918 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.520 1.377 -5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.755 1.555 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.616 1.784 -3.277 1.00 0.00 H new ATOM 427 N LYS A 26 7.980 2.771 -5.401 1.00 0.00 N ATOM 428 CA LYS A 26 8.368 3.935 -4.609 1.00 0.00 C ATOM 429 C LYS A 26 8.659 5.140 -5.499 1.00 0.00 C ATOM 430 O LYS A 26 8.420 6.283 -5.107 1.00 0.00 O ATOM 431 CB LYS A 26 9.593 3.613 -3.749 1.00 0.00 C ATOM 432 CG LYS A 26 9.260 2.862 -2.468 1.00 0.00 C ATOM 433 CD LYS A 26 8.710 1.474 -2.757 1.00 0.00 C ATOM 434 CE LYS A 26 8.181 0.812 -1.497 1.00 0.00 C ATOM 435 NZ LYS A 26 9.251 0.624 -0.479 1.00 0.00 N ATOM 0 H LYS A 26 8.632 1.988 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 26 7.531 4.186 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.293 3.019 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.101 4.543 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.155 2.778 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.530 3.430 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.911 1.544 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.494 0.855 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.381 1.421 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.746 -0.155 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.907 -0.005 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.087 0.200 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.507 1.545 -0.070 1.00 0.00 H new ATOM 449 N TYR A 27 9.172 4.879 -6.695 1.00 0.00 N ATOM 450 CA TYR A 27 9.496 5.945 -7.637 1.00 0.00 C ATOM 451 C TYR A 27 8.225 6.564 -8.211 1.00 0.00 C ATOM 452 O TYR A 27 8.196 7.748 -8.544 1.00 0.00 O ATOM 453 CB TYR A 27 10.371 5.401 -8.770 1.00 0.00 C ATOM 454 CG TYR A 27 10.877 6.464 -9.722 1.00 0.00 C ATOM 455 CD1 TYR A 27 10.124 6.854 -10.823 1.00 0.00 C ATOM 456 CD2 TYR A 27 12.109 7.073 -9.522 1.00 0.00 C ATOM 457 CE1 TYR A 27 10.585 7.820 -11.697 1.00 0.00 C ATOM 458 CE2 TYR A 27 12.577 8.041 -10.391 1.00 0.00 C ATOM 459 CZ TYR A 27 11.811 8.411 -11.477 1.00 0.00 C ATOM 460 OH TYR A 27 12.275 9.373 -12.344 1.00 0.00 O ATOM 0 H TYR A 27 9.373 3.939 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 27 10.046 6.719 -7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.225 4.879 -8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.800 4.664 -9.335 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.163 6.394 -10.998 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.712 6.786 -8.673 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.988 8.111 -12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.537 8.505 -10.221 1.00 0.00 H new ATOM 0 HH TYR A 27 13.153 9.687 -12.044 1.00 0.00 H new ATOM 470 N PHE A 28 7.179 5.752 -8.323 1.00 0.00 N ATOM 471 CA PHE A 28 5.907 6.212 -8.868 1.00 0.00 C ATOM 472 C PHE A 28 5.094 6.981 -7.827 1.00 0.00 C ATOM 473 O PHE A 28 4.689 8.119 -8.064 1.00 0.00 O ATOM 474 CB PHE A 28 5.095 5.024 -9.386 1.00 0.00 C ATOM 475 CG PHE A 28 4.172 5.375 -10.518 1.00 0.00 C ATOM 476 CD1 PHE A 28 2.899 5.860 -10.268 1.00 0.00 C ATOM 477 CD2 PHE A 28 4.580 5.219 -11.834 1.00 0.00 C ATOM 478 CE1 PHE A 28 2.049 6.184 -11.310 1.00 0.00 C ATOM 479 CE2 PHE A 28 3.735 5.541 -12.878 1.00 0.00 C ATOM 480 CZ PHE A 28 2.469 6.023 -12.617 1.00 0.00 C ATOM 0 H PHE A 28 7.187 4.771 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 28 6.126 6.890 -9.693 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.780 4.242 -9.715 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.509 4.610 -8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.566 5.987 -9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.570 4.841 -12.045 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.059 6.562 -11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.065 5.415 -13.899 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.807 6.274 -13.433 1.00 0.00 H new ATOM 490 N ALA A 29 4.859 6.354 -6.677 1.00 0.00 N ATOM 491 CA ALA A 29 4.079 6.979 -5.612 1.00 0.00 C ATOM 492 C ALA A 29 4.822 8.147 -4.970 1.00 0.00 C ATOM 493 O ALA A 29 4.285 9.250 -4.872 1.00 0.00 O ATOM 494 CB ALA A 29 3.713 5.949 -4.554 1.00 0.00 C ATOM 0 H ALA A 29 5.196 5.416 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 29 3.169 7.375 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.132 6.428 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.122 5.154 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.623 5.526 -4.128 1.00 0.00 H new ATOM 500 N LEU A 30 6.055 7.905 -4.534 1.00 0.00 N ATOM 501 CA LEU A 30 6.849 8.954 -3.902 1.00 0.00 C ATOM 502 C LEU A 30 7.802 9.596 -4.905 1.00 0.00 C ATOM 503 O LEU A 30 8.932 9.139 -5.081 1.00 0.00 O ATOM 504 CB LEU A 30 7.644 8.391 -2.715 1.00 0.00 C ATOM 505 CG LEU A 30 6.817 7.712 -1.613 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.576 8.526 -1.274 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.436 6.296 -2.018 1.00 0.00 C ATOM 0 H LEU A 30 6.522 7.001 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 30 6.162 9.717 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.366 7.669 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.213 9.205 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 30 7.437 7.658 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.011 8.020 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.874 9.515 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.953 8.627 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.851 5.835 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.844 6.326 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.340 5.711 -2.189 1.00 0.00 H new ATOM 519 N THR A 31 7.337 10.652 -5.567 1.00 0.00 N ATOM 520 CA THR A 31 8.153 11.356 -6.546 1.00 0.00 C ATOM 521 C THR A 31 8.921 12.508 -5.906 1.00 0.00 C ATOM 522 O THR A 31 10.134 12.630 -6.075 1.00 0.00 O ATOM 523 CB THR A 31 7.291 11.907 -7.697 1.00 0.00 C ATOM 524 OG1 THR A 31 6.343 12.853 -7.191 1.00 0.00 O ATOM 525 CG2 THR A 31 6.558 10.779 -8.405 1.00 0.00 C ATOM 0 H THR A 31 6.401 11.037 -5.442 1.00 0.00 H new ATOM 0 HA THR A 31 8.863 10.631 -6.943 1.00 0.00 H new ATOM 0 HB THR A 31 7.949 12.401 -8.412 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.800 13.199 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.955 11.189 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.282 10.074 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.911 10.264 -7.695 1.00 0.00 H new ATOM 533 N GLU A 32 8.202 13.352 -5.170 1.00 0.00 N ATOM 534 CA GLU A 32 8.809 14.498 -4.502 1.00 0.00 C ATOM 535 C GLU A 32 9.129 14.188 -3.042 1.00 0.00 C ATOM 536 O GLU A 32 9.883 14.917 -2.396 1.00 0.00 O ATOM 537 CB GLU A 32 7.885 15.714 -4.587 1.00 0.00 C ATOM 538 CG GLU A 32 6.517 15.480 -3.970 1.00 0.00 C ATOM 539 CD GLU A 32 5.616 16.694 -4.070 1.00 0.00 C ATOM 540 OE1 GLU A 32 4.940 16.847 -5.110 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.586 17.493 -3.111 1.00 0.00 O ATOM 0 H GLU A 32 7.197 13.263 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 32 9.745 14.722 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.361 16.558 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.760 15.993 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.039 14.636 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.637 15.207 -2.922 1.00 0.00 H new ATOM 548 N PHE A 33 8.554 13.106 -2.524 1.00 0.00 N ATOM 549 CA PHE A 33 8.777 12.720 -1.134 1.00 0.00 C ATOM 550 C PHE A 33 10.134 12.046 -0.964 1.00 0.00 C ATOM 551 O PHE A 33 10.704 12.048 0.128 1.00 0.00 O ATOM 552 CB PHE A 33 7.666 11.783 -0.654 1.00 0.00 C ATOM 553 CG PHE A 33 6.287 12.366 -0.781 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.826 13.295 0.138 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.451 11.984 -1.819 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.558 13.834 0.024 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.182 12.519 -1.937 1.00 0.00 C ATOM 558 CZ PHE A 33 3.735 13.446 -1.016 1.00 0.00 C ATOM 0 H PHE A 33 7.934 12.484 -3.042 1.00 0.00 H new ATOM 0 HA PHE A 33 8.764 13.627 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.713 10.856 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.847 11.524 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.465 13.602 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.795 11.261 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.211 14.557 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.540 12.212 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.745 13.867 -1.108 1.00 0.00 H new ATOM 568 N GLN A 34 10.649 11.481 -2.054 1.00 0.00 N ATOM 569 CA GLN A 34 11.944 10.803 -2.035 1.00 0.00 C ATOM 570 C GLN A 34 12.066 9.883 -0.819 1.00 0.00 C ATOM 571 O GLN A 34 12.862 10.138 0.087 1.00 0.00 O ATOM 572 CB GLN A 34 13.079 11.830 -2.035 1.00 0.00 C ATOM 573 CG GLN A 34 14.447 11.230 -2.321 1.00 0.00 C ATOM 574 CD GLN A 34 14.524 10.590 -3.693 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.248 9.401 -3.855 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.901 11.379 -4.693 1.00 0.00 N ATOM 0 H GLN A 34 10.188 11.479 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 34 12.018 10.190 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.865 12.595 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.106 12.328 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.205 12.009 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.679 10.483 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.121 12.359 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.971 11.005 -5.639 1.00 0.00 H new ATOM 585 N ILE A 35 11.270 8.816 -0.804 1.00 0.00 N ATOM 586 CA ILE A 35 11.283 7.864 0.301 1.00 0.00 C ATOM 587 C ILE A 35 12.618 7.120 0.369 1.00 0.00 C ATOM 588 O ILE A 35 13.212 6.795 -0.659 1.00 0.00 O ATOM 589 CB ILE A 35 10.122 6.853 0.178 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.908 6.118 1.502 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.385 5.864 -0.950 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.545 5.464 1.616 1.00 0.00 C ATOM 0 H ILE A 35 10.608 8.590 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 35 11.153 8.432 1.222 1.00 0.00 H new ATOM 0 HB ILE A 35 9.212 7.404 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.679 5.355 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.034 6.822 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.555 5.161 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.482 6.404 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.307 5.318 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.462 4.961 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.769 6.225 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.423 4.735 0.815 1.00 0.00 H new ATOM 604 N ALA A 36 13.084 6.860 1.587 1.00 0.00 N ATOM 605 CA ALA A 36 14.352 6.164 1.791 1.00 0.00 C ATOM 606 C ALA A 36 14.265 4.702 1.361 1.00 0.00 C ATOM 607 O ALA A 36 13.431 3.946 1.857 1.00 0.00 O ATOM 608 CB ALA A 36 14.778 6.262 3.248 1.00 0.00 C ATOM 0 H ALA A 36 12.603 7.120 2.448 1.00 0.00 H new ATOM 0 HA ALA A 36 15.102 6.649 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.724 5.739 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.899 7.310 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.016 5.807 3.881 1.00 0.00 H new ATOM 614 N ARG A 37 15.135 4.313 0.433 1.00 0.00 N ATOM 615 CA ARG A 37 15.168 2.942 -0.071 1.00 0.00 C ATOM 616 C ARG A 37 15.621 1.962 1.009 1.00 0.00 C ATOM 617 O ARG A 37 15.297 0.776 0.960 1.00 0.00 O ATOM 618 CB ARG A 37 16.108 2.847 -1.274 1.00 0.00 C ATOM 619 CG ARG A 37 17.539 3.241 -0.953 1.00 0.00 C ATOM 620 CD ARG A 37 18.463 3.011 -2.137 1.00 0.00 C ATOM 621 NE ARG A 37 19.837 3.405 -1.841 1.00 0.00 N ATOM 622 CZ ARG A 37 20.827 3.355 -2.727 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.597 2.928 -3.961 1.00 0.00 N ATOM 624 NH2 ARG A 37 22.050 3.732 -2.379 1.00 0.00 N ATOM 0 H ARG A 37 15.830 4.930 0.013 1.00 0.00 H new ATOM 0 HA ARG A 37 14.156 2.675 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.097 1.826 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.732 3.489 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.571 4.292 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.892 2.665 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.440 1.958 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.100 3.576 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 37 20.050 3.738 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.658 2.637 -4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.359 2.891 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.232 4.061 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.809 3.693 -3.060 1.00 0.00 H new ATOM 638 N SER A 38 16.377 2.464 1.978 1.00 0.00 N ATOM 639 CA SER A 38 16.888 1.632 3.063 1.00 0.00 C ATOM 640 C SER A 38 15.758 1.103 3.942 1.00 0.00 C ATOM 641 O SER A 38 15.872 0.031 4.535 1.00 0.00 O ATOM 642 CB SER A 38 17.879 2.429 3.914 1.00 0.00 C ATOM 643 OG SER A 38 18.974 2.880 3.136 1.00 0.00 O ATOM 0 H SER A 38 16.651 3.445 2.035 1.00 0.00 H new ATOM 0 HA SER A 38 17.396 0.777 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.372 3.283 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.242 1.807 4.732 1.00 0.00 H new ATOM 0 HG SER A 38 19.591 3.388 3.703 1.00 0.00 H new ATOM 649 N THR A 39 14.669 1.858 4.022 1.00 0.00 N ATOM 650 CA THR A 39 13.523 1.471 4.839 1.00 0.00 C ATOM 651 C THR A 39 12.831 0.222 4.299 1.00 0.00 C ATOM 652 O THR A 39 12.076 -0.431 5.018 1.00 0.00 O ATOM 653 CB THR A 39 12.490 2.607 4.931 1.00 0.00 C ATOM 654 OG1 THR A 39 11.916 2.854 3.643 1.00 0.00 O ATOM 655 CG2 THR A 39 13.132 3.881 5.460 1.00 0.00 C ATOM 0 H THR A 39 14.554 2.744 3.530 1.00 0.00 H new ATOM 0 HA THR A 39 13.918 1.255 5.832 1.00 0.00 H new ATOM 0 HB THR A 39 11.706 2.300 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.504 3.448 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.382 4.670 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.540 3.697 6.454 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.934 4.190 4.790 1.00 0.00 H new ATOM 663 N LEU A 40 13.089 -0.104 3.034 1.00 0.00 N ATOM 664 CA LEU A 40 12.475 -1.270 2.391 1.00 0.00 C ATOM 665 C LEU A 40 12.607 -2.540 3.235 1.00 0.00 C ATOM 666 O LEU A 40 11.890 -3.515 3.008 1.00 0.00 O ATOM 667 CB LEU A 40 13.090 -1.501 1.008 1.00 0.00 C ATOM 668 CG LEU A 40 12.368 -0.810 -0.153 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.328 0.697 0.053 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.043 -1.149 -1.473 1.00 0.00 C ATOM 0 H LEU A 40 13.720 0.423 2.430 1.00 0.00 H new ATOM 0 HA LEU A 40 11.412 -1.053 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.124 -1.158 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.113 -2.573 0.813 1.00 0.00 H new ATOM 0 HG LEU A 40 11.342 -1.175 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.810 1.165 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.799 0.924 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.346 1.083 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.519 -0.651 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.079 -0.812 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.015 -2.227 -1.629 1.00 0.00 H new ATOM 682 N ASP A 41 13.522 -2.531 4.200 1.00 0.00 N ATOM 683 CA ASP A 41 13.731 -3.688 5.066 1.00 0.00 C ATOM 684 C ASP A 41 12.438 -4.072 5.784 1.00 0.00 C ATOM 685 O ASP A 41 12.118 -5.254 5.920 1.00 0.00 O ATOM 686 CB ASP A 41 14.831 -3.395 6.089 1.00 0.00 C ATOM 687 CG ASP A 41 15.131 -4.588 6.975 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.939 -5.445 6.562 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.560 -4.663 8.083 1.00 0.00 O ATOM 0 H ASP A 41 14.130 -1.737 4.402 1.00 0.00 H new ATOM 0 HA ASP A 41 14.041 -4.526 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.740 -3.097 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.530 -2.551 6.710 1.00 0.00 H new ATOM 694 N VAL A 42 11.701 -3.063 6.237 1.00 0.00 N ATOM 695 CA VAL A 42 10.437 -3.276 6.938 1.00 0.00 C ATOM 696 C VAL A 42 9.404 -2.246 6.506 1.00 0.00 C ATOM 697 O VAL A 42 8.367 -2.078 7.148 1.00 0.00 O ATOM 698 CB VAL A 42 10.610 -3.180 8.463 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.335 -4.405 9.000 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.350 -1.904 8.831 1.00 0.00 C ATOM 0 H VAL A 42 11.959 -2.082 6.131 1.00 0.00 H new ATOM 0 HA VAL A 42 10.098 -4.279 6.680 1.00 0.00 H new ATOM 0 HB VAL A 42 9.623 -3.147 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.447 -4.317 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.759 -5.300 8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.320 -4.477 8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.465 -1.849 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.333 -1.905 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.783 -1.041 8.483 1.00 0.00 H new ATOM 710 N ALA A 43 9.700 -1.562 5.411 1.00 0.00 N ATOM 711 CA ALA A 43 8.821 -0.529 4.888 1.00 0.00 C ATOM 712 C ALA A 43 7.415 -1.034 4.642 1.00 0.00 C ATOM 713 O ALA A 43 6.453 -0.289 4.774 1.00 0.00 O ATOM 714 CB ALA A 43 9.394 0.063 3.612 1.00 0.00 C ATOM 0 H ALA A 43 10.549 -1.706 4.864 1.00 0.00 H new ATOM 0 HA ALA A 43 8.758 0.247 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.722 0.834 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.370 0.502 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.502 -0.722 2.863 1.00 0.00 H new ATOM 720 N ASP A 44 7.282 -2.301 4.321 1.00 0.00 N ATOM 721 CA ASP A 44 5.968 -2.841 4.026 1.00 0.00 C ATOM 722 C ASP A 44 4.999 -2.658 5.191 1.00 0.00 C ATOM 723 O ASP A 44 3.918 -2.097 5.014 1.00 0.00 O ATOM 724 CB ASP A 44 6.081 -4.327 3.674 1.00 0.00 C ATOM 725 CG ASP A 44 6.730 -5.137 4.779 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.977 -5.183 4.826 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.992 -5.728 5.594 1.00 0.00 O ATOM 0 H ASP A 44 8.050 -2.969 4.257 1.00 0.00 H new ATOM 0 HA ASP A 44 5.570 -2.288 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.087 -4.726 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.662 -4.437 2.758 1.00 0.00 H new ATOM 732 N ARG A 45 5.375 -3.124 6.378 1.00 0.00 N ATOM 733 CA ARG A 45 4.496 -3.001 7.536 1.00 0.00 C ATOM 734 C ARG A 45 4.528 -1.630 8.235 1.00 0.00 C ATOM 735 O ARG A 45 3.514 -0.934 8.301 1.00 0.00 O ATOM 736 CB ARG A 45 4.810 -4.112 8.546 1.00 0.00 C ATOM 737 CG ARG A 45 6.276 -4.202 8.938 1.00 0.00 C ATOM 738 CD ARG A 45 6.562 -5.462 9.741 1.00 0.00 C ATOM 739 NE ARG A 45 7.954 -5.528 10.179 1.00 0.00 N ATOM 740 CZ ARG A 45 8.427 -6.463 11.000 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.622 -7.409 11.468 1.00 0.00 N ATOM 742 NH2 ARG A 45 9.706 -6.453 11.351 1.00 0.00 N ATOM 0 H ARG A 45 6.267 -3.583 6.562 1.00 0.00 H new ATOM 0 HA ARG A 45 3.483 -3.101 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.215 -3.950 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.499 -5.068 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.895 -4.193 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.551 -3.325 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.906 -5.494 10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.331 -6.338 9.135 1.00 0.00 H new ATOM 0 HE ARG A 45 8.600 -4.817 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.638 -7.421 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.987 -8.124 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.328 -5.729 10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.068 -7.170 11.980 1.00 0.00 H new ATOM 756 N THR A 46 5.699 -1.252 8.750 1.00 0.00 N ATOM 757 CA THR A 46 5.852 -0.015 9.528 1.00 0.00 C ATOM 758 C THR A 46 6.041 1.297 8.751 1.00 0.00 C ATOM 759 O THR A 46 5.261 2.236 8.916 1.00 0.00 O ATOM 760 CB THR A 46 7.028 -0.150 10.512 1.00 0.00 C ATOM 761 OG1 THR A 46 8.238 -0.435 9.796 1.00 0.00 O ATOM 762 CG2 THR A 46 6.762 -1.255 11.525 1.00 0.00 C ATOM 0 H THR A 46 6.561 -1.786 8.643 1.00 0.00 H new ATOM 0 HA THR A 46 4.883 0.079 10.018 1.00 0.00 H new ATOM 0 HB THR A 46 7.135 0.794 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.981 -0.518 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.607 -1.332 12.210 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.858 -1.022 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.631 -2.203 11.003 1.00 0.00 H new ATOM 770 N GLU A 47 7.070 1.358 7.911 1.00 0.00 N ATOM 771 CA GLU A 47 7.421 2.604 7.215 1.00 0.00 C ATOM 772 C GLU A 47 6.430 3.064 6.142 1.00 0.00 C ATOM 773 O GLU A 47 5.886 4.162 6.243 1.00 0.00 O ATOM 774 CB GLU A 47 8.817 2.466 6.612 1.00 0.00 C ATOM 775 CG GLU A 47 9.830 3.430 7.212 1.00 0.00 C ATOM 776 CD GLU A 47 10.018 3.227 8.704 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.278 3.859 9.488 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.907 2.438 9.088 1.00 0.00 O ATOM 0 H GLU A 47 7.676 0.567 7.693 1.00 0.00 H new ATOM 0 HA GLU A 47 7.386 3.384 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.168 1.444 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.759 2.634 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.788 3.303 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.505 4.454 7.027 1.00 0.00 H new ATOM 785 N LEU A 48 6.197 2.250 5.124 1.00 0.00 N ATOM 786 CA LEU A 48 5.289 2.634 4.043 1.00 0.00 C ATOM 787 C LEU A 48 3.902 2.978 4.560 1.00 0.00 C ATOM 788 O LEU A 48 3.347 4.016 4.209 1.00 0.00 O ATOM 789 CB LEU A 48 5.179 1.527 2.993 1.00 0.00 C ATOM 790 CG LEU A 48 6.412 1.347 2.110 1.00 0.00 C ATOM 791 CD1 LEU A 48 6.290 0.080 1.281 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.603 2.558 1.209 1.00 0.00 C ATOM 0 H LEU A 48 6.617 1.327 5.019 1.00 0.00 H new ATOM 0 HA LEU A 48 5.716 3.525 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.974 0.585 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.321 1.737 2.354 1.00 0.00 H new ATOM 0 HG LEU A 48 7.287 1.255 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.177 -0.034 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.200 -0.781 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.406 0.144 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.486 2.413 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.727 2.680 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.733 3.450 1.821 1.00 0.00 H new ATOM 804 N ALA A 49 3.352 2.113 5.398 1.00 0.00 N ATOM 805 CA ALA A 49 2.013 2.329 5.936 1.00 0.00 C ATOM 806 C ALA A 49 1.870 3.714 6.563 1.00 0.00 C ATOM 807 O ALA A 49 0.996 4.486 6.179 1.00 0.00 O ATOM 808 CB ALA A 49 1.682 1.253 6.958 1.00 0.00 C ATOM 0 H ALA A 49 3.807 1.259 5.720 1.00 0.00 H new ATOM 0 HA ALA A 49 1.309 2.269 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.681 1.423 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.722 0.274 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.405 1.290 7.773 1.00 0.00 H new ATOM 814 N ASP A 50 2.739 4.026 7.515 1.00 0.00 N ATOM 815 CA ASP A 50 2.700 5.315 8.202 1.00 0.00 C ATOM 816 C ASP A 50 3.096 6.479 7.288 1.00 0.00 C ATOM 817 O ASP A 50 2.572 7.584 7.419 1.00 0.00 O ATOM 818 CB ASP A 50 3.615 5.281 9.427 1.00 0.00 C ATOM 819 CG ASP A 50 3.575 6.575 10.218 1.00 0.00 C ATOM 820 OD1 ASP A 50 4.385 7.478 9.919 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.737 6.684 11.136 1.00 0.00 O ATOM 0 H ASP A 50 3.483 3.404 7.832 1.00 0.00 H new ATOM 0 HA ASP A 50 1.669 5.484 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.321 4.454 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.639 5.086 9.107 1.00 0.00 H new ATOM 826 N HIS A 51 4.020 6.224 6.365 1.00 0.00 N ATOM 827 CA HIS A 51 4.520 7.264 5.464 1.00 0.00 C ATOM 828 C HIS A 51 3.491 7.706 4.421 1.00 0.00 C ATOM 829 O HIS A 51 3.145 8.885 4.350 1.00 0.00 O ATOM 830 CB HIS A 51 5.787 6.775 4.756 1.00 0.00 C ATOM 831 CG HIS A 51 6.451 7.822 3.916 1.00 0.00 C ATOM 832 ND1 HIS A 51 6.386 7.859 2.541 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.213 8.882 4.283 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.095 8.916 2.124 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.617 9.572 3.143 1.00 0.00 N ATOM 0 H HIS A 51 4.439 5.306 6.220 1.00 0.00 H new ATOM 0 HA HIS A 51 4.739 8.133 6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.496 6.419 5.504 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.534 5.923 4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.466 9.149 5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.223 9.195 1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.196 10.411 3.104 1.00 0.00 H new ATOM 843 N LEU A 52 3.011 6.765 3.612 1.00 0.00 N ATOM 844 CA LEU A 52 2.053 7.086 2.555 1.00 0.00 C ATOM 845 C LEU A 52 0.788 7.754 3.098 1.00 0.00 C ATOM 846 O LEU A 52 0.194 8.595 2.425 1.00 0.00 O ATOM 847 CB LEU A 52 1.692 5.831 1.752 1.00 0.00 C ATOM 848 CG LEU A 52 1.014 4.710 2.539 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.496 4.852 2.487 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.438 3.354 1.999 1.00 0.00 C ATOM 0 H LEU A 52 3.267 5.779 3.666 1.00 0.00 H new ATOM 0 HA LEU A 52 2.539 7.804 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.035 6.123 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.603 5.435 1.304 1.00 0.00 H new ATOM 0 HG LEU A 52 1.328 4.785 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.957 4.043 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.786 5.810 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.830 4.805 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.947 2.566 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.152 3.275 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.519 3.248 2.090 1.00 0.00 H new ATOM 862 N ILE A 53 0.373 7.382 4.307 1.00 0.00 N ATOM 863 CA ILE A 53 -0.825 7.969 4.905 1.00 0.00 C ATOM 864 C ILE A 53 -0.678 9.483 5.056 1.00 0.00 C ATOM 865 O ILE A 53 -1.627 10.233 4.826 1.00 0.00 O ATOM 866 CB ILE A 53 -1.145 7.348 6.290 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.676 5.913 6.153 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.146 8.206 7.053 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.685 5.719 5.041 1.00 0.00 C ATOM 0 H ILE A 53 0.842 6.685 4.886 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.650 7.750 4.227 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.212 7.313 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.834 5.242 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.134 5.617 7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.354 7.749 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.731 9.202 7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.071 8.281 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.005 4.677 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.549 6.360 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.229 5.980 4.086 1.00 0.00 H new ATOM 881 N GLN A 54 0.513 9.924 5.440 1.00 0.00 N ATOM 882 CA GLN A 54 0.782 11.347 5.625 1.00 0.00 C ATOM 883 C GLN A 54 0.549 12.132 4.336 1.00 0.00 C ATOM 884 O GLN A 54 0.235 13.322 4.375 1.00 0.00 O ATOM 885 CB GLN A 54 2.220 11.557 6.105 1.00 0.00 C ATOM 886 CG GLN A 54 2.524 10.891 7.438 1.00 0.00 C ATOM 887 CD GLN A 54 3.951 11.128 7.894 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.853 10.352 7.577 1.00 0.00 O ATOM 889 NE2 GLN A 54 4.162 12.205 8.642 1.00 0.00 N ATOM 0 H GLN A 54 1.310 9.317 5.630 1.00 0.00 H new ATOM 0 HA GLN A 54 0.089 11.719 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.905 11.170 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.412 12.626 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.837 11.269 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.346 9.819 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.384 12.821 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.102 12.416 8.978 1.00 0.00 H new ATOM 898 N SER A 55 0.703 11.461 3.199 1.00 0.00 N ATOM 899 CA SER A 55 0.530 12.104 1.898 1.00 0.00 C ATOM 900 C SER A 55 -0.847 12.752 1.752 1.00 0.00 C ATOM 901 O SER A 55 -0.947 13.956 1.515 1.00 0.00 O ATOM 902 CB SER A 55 0.746 11.089 0.774 1.00 0.00 C ATOM 903 OG SER A 55 2.057 10.551 0.817 1.00 0.00 O ATOM 0 H SER A 55 0.947 10.472 3.151 1.00 0.00 H new ATOM 0 HA SER A 55 1.276 12.895 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.016 10.284 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.578 11.568 -0.190 1.00 0.00 H new ATOM 0 HG SER A 55 2.169 9.904 0.090 1.00 0.00 H new ATOM 909 N ALA A 56 -1.907 11.957 1.891 1.00 0.00 N ATOM 910 CA ALA A 56 -3.266 12.479 1.754 1.00 0.00 C ATOM 911 C ALA A 56 -4.116 12.196 2.990 1.00 0.00 C ATOM 912 O ALA A 56 -4.951 13.012 3.379 1.00 0.00 O ATOM 913 CB ALA A 56 -3.928 11.890 0.518 1.00 0.00 C ATOM 0 H ALA A 56 -1.853 10.959 2.096 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.193 13.561 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.940 12.285 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.351 12.158 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.969 10.805 0.609 1.00 0.00 H new ATOM 919 N GLY A 57 -3.898 11.038 3.603 1.00 0.00 N ATOM 920 CA GLY A 57 -4.660 10.666 4.782 1.00 0.00 C ATOM 921 C GLY A 57 -4.697 9.164 4.984 1.00 0.00 C ATOM 922 O GLY A 57 -4.107 8.416 4.207 1.00 0.00 O ATOM 0 H GLY A 57 -3.207 10.349 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.222 11.139 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.678 11.045 4.690 1.00 0.00 H new ATOM 926 N ALA A 58 -5.389 8.720 6.029 1.00 0.00 N ATOM 927 CA ALA A 58 -5.488 7.298 6.327 1.00 0.00 C ATOM 928 C ALA A 58 -6.259 6.545 5.245 1.00 0.00 C ATOM 929 O ALA A 58 -5.683 5.766 4.488 1.00 0.00 O ATOM 930 CB ALA A 58 -6.138 7.086 7.685 1.00 0.00 C ATOM 0 H ALA A 58 -5.888 9.324 6.682 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.475 6.895 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.205 6.018 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.537 7.569 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.139 7.518 7.681 1.00 0.00 H new ATOM 936 N ALA A 59 -7.564 6.787 5.170 1.00 0.00 N ATOM 937 CA ALA A 59 -8.414 6.117 4.189 1.00 0.00 C ATOM 938 C ALA A 59 -8.096 6.550 2.760 1.00 0.00 C ATOM 939 O ALA A 59 -8.104 5.732 1.839 1.00 0.00 O ATOM 940 CB ALA A 59 -9.879 6.377 4.506 1.00 0.00 C ATOM 0 H ALA A 59 -8.057 7.442 5.777 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.212 5.048 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.505 5.874 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.109 5.995 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.073 7.449 4.475 1.00 0.00 H new ATOM 946 N SER A 60 -7.817 7.837 2.580 1.00 0.00 N ATOM 947 CA SER A 60 -7.522 8.385 1.257 1.00 0.00 C ATOM 948 C SER A 60 -6.311 7.714 0.608 1.00 0.00 C ATOM 949 O SER A 60 -6.340 7.380 -0.576 1.00 0.00 O ATOM 950 CB SER A 60 -7.280 9.892 1.353 1.00 0.00 C ATOM 951 OG SER A 60 -6.997 10.445 0.080 1.00 0.00 O ATOM 0 H SER A 60 -7.789 8.523 3.334 1.00 0.00 H new ATOM 0 HA SER A 60 -8.389 8.186 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.159 10.378 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.449 10.088 2.031 1.00 0.00 H new ATOM 0 HG SER A 60 -7.005 11.423 0.139 1.00 0.00 H new ATOM 957 N ALA A 61 -5.245 7.530 1.378 1.00 0.00 N ATOM 958 CA ALA A 61 -4.026 6.919 0.859 1.00 0.00 C ATOM 959 C ALA A 61 -4.180 5.418 0.610 1.00 0.00 C ATOM 960 O ALA A 61 -3.644 4.889 -0.364 1.00 0.00 O ATOM 961 CB ALA A 61 -2.863 7.182 1.801 1.00 0.00 C ATOM 0 H ALA A 61 -5.199 7.794 2.362 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.823 7.382 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.960 6.721 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.709 8.257 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.085 6.758 2.780 1.00 0.00 H new ATOM 967 N VAL A 62 -4.912 4.734 1.485 1.00 0.00 N ATOM 968 CA VAL A 62 -5.104 3.290 1.354 1.00 0.00 C ATOM 969 C VAL A 62 -5.908 2.926 0.105 1.00 0.00 C ATOM 970 O VAL A 62 -5.695 1.867 -0.487 1.00 0.00 O ATOM 971 CB VAL A 62 -5.799 2.697 2.598 1.00 0.00 C ATOM 972 CG1 VAL A 62 -6.087 1.214 2.404 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.947 2.913 3.837 1.00 0.00 C ATOM 0 H VAL A 62 -5.380 5.152 2.289 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.107 2.859 1.261 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.749 3.214 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.577 0.819 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.739 1.080 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.151 0.680 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.452 2.489 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.982 2.424 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.795 3.981 3.992 1.00 0.00 H new ATOM 983 N THR A 63 -6.824 3.802 -0.302 1.00 0.00 N ATOM 984 CA THR A 63 -7.650 3.537 -1.477 1.00 0.00 C ATOM 985 C THR A 63 -6.906 3.843 -2.777 1.00 0.00 C ATOM 986 O THR A 63 -7.035 3.110 -3.759 1.00 0.00 O ATOM 987 CB THR A 63 -8.966 4.340 -1.443 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.747 4.050 -2.609 1.00 0.00 O ATOM 989 CG2 THR A 63 -8.699 5.834 -1.368 1.00 0.00 C ATOM 0 H THR A 63 -7.012 4.692 0.159 1.00 0.00 H new ATOM 0 HA THR A 63 -7.884 2.473 -1.449 1.00 0.00 H new ATOM 0 HB THR A 63 -9.516 4.044 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.582 4.563 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.647 6.372 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.133 6.058 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.125 6.145 -2.241 1.00 0.00 H new ATOM 997 N LYS A 64 -6.128 4.922 -2.781 1.00 0.00 N ATOM 998 CA LYS A 64 -5.372 5.312 -3.970 1.00 0.00 C ATOM 999 C LYS A 64 -4.207 4.359 -4.223 1.00 0.00 C ATOM 1000 O LYS A 64 -3.885 4.051 -5.371 1.00 0.00 O ATOM 1001 CB LYS A 64 -4.848 6.743 -3.830 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.860 6.922 -2.689 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.947 8.110 -2.934 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.936 8.279 -1.810 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.039 7.097 -1.688 1.00 0.00 N ATOM 0 H LYS A 64 -6.004 5.540 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.050 5.261 -4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.369 7.038 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.692 7.416 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.402 7.063 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.262 6.018 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.422 7.977 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.545 9.017 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.338 9.172 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.463 8.434 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.227 7.339 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.563 6.306 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.700 6.820 -2.631 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.576 3.901 -3.144 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.441 2.988 -3.245 1.00 0.00 C ATOM 1021 C ALA A 65 -2.798 1.759 -4.071 1.00 0.00 C ATOM 1022 O ALA A 65 -1.944 1.177 -4.739 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.970 2.573 -1.859 1.00 0.00 C ATOM 0 H ALA A 65 -3.833 4.148 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.630 3.513 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.124 1.892 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.666 3.457 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.783 2.072 -1.333 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.066 1.370 -4.014 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.544 0.207 -4.752 1.00 0.00 C ATOM 1031 C ILE A 66 -4.496 0.446 -6.258 1.00 0.00 C ATOM 1032 O ILE A 66 -4.143 -0.448 -7.025 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.987 -0.160 -4.348 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.061 -0.475 -2.850 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.494 -1.337 -5.170 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.239 -1.679 -2.435 1.00 0.00 C ATOM 0 H ILE A 66 -4.783 1.843 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.880 -0.619 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.628 0.698 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.722 0.395 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.102 -0.646 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.513 -1.579 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.481 -1.075 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.851 -2.201 -5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.343 -1.838 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.592 -2.562 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.191 -1.504 -2.676 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.848 1.659 -6.672 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.859 2.010 -8.088 1.00 0.00 C ATOM 1050 C ASN A 67 -3.451 2.031 -8.677 1.00 0.00 C ATOM 1051 O ASN A 67 -3.231 1.558 -9.793 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.524 3.372 -8.290 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.552 3.792 -9.747 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -6.500 3.493 -10.474 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -4.507 4.487 -10.181 1.00 0.00 N ATOM 0 H ASN A 67 -5.129 2.415 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.431 1.243 -8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.543 3.336 -7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.990 4.124 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.468 4.796 -11.152 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.744 4.712 -9.543 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.503 2.580 -7.927 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.121 2.671 -8.388 1.00 0.00 C ATOM 1064 C ILE A 68 -0.449 1.302 -8.443 1.00 0.00 C ATOM 1065 O ILE A 68 0.130 0.928 -9.461 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.287 3.597 -7.481 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.930 4.983 -7.401 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.145 3.697 -7.993 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.280 5.897 -6.384 1.00 0.00 C ATOM 0 H ILE A 68 -2.665 2.969 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.161 3.087 -9.395 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.262 3.171 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.881 5.454 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.985 4.871 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.720 4.355 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.599 2.706 -8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.142 4.102 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.789 6.861 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.352 5.448 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.769 6.041 -6.642 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.534 0.560 -7.346 1.00 0.00 N ATOM 1082 CA PHE A 69 0.089 -0.759 -7.255 1.00 0.00 C ATOM 1083 C PHE A 69 -0.478 -1.746 -8.273 1.00 0.00 C ATOM 1084 O PHE A 69 0.272 -2.491 -8.904 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.082 -1.328 -5.845 1.00 0.00 C ATOM 1086 CG PHE A 69 0.604 -2.649 -5.646 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.986 -2.727 -5.604 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.134 -3.813 -5.502 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.621 -3.941 -5.422 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.495 -5.030 -5.319 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.874 -5.094 -5.281 1.00 0.00 C ATOM 0 H PHE A 69 -1.030 0.849 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 69 1.147 -0.624 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.309 -0.612 -5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.145 -1.444 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.575 -1.828 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.213 -3.769 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.700 -3.988 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.091 -5.930 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.368 -6.044 -5.141 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.797 -1.753 -8.433 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.443 -2.683 -9.355 1.00 0.00 C ATOM 1103 C GLN A 70 -2.008 -2.455 -10.806 1.00 0.00 C ATOM 1104 O GLN A 70 -1.480 -3.358 -11.452 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.977 -2.597 -9.225 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.609 -1.363 -9.851 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.123 -1.373 -9.751 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.744 -2.434 -9.698 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.726 -0.190 -9.736 1.00 0.00 N ATOM 0 H GLN A 70 -2.437 -1.130 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.122 -3.687 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.415 -3.483 -9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.239 -2.623 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.221 -0.471 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.317 -1.301 -10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.172 0.665 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.743 -0.137 -9.679 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.202 -1.244 -11.301 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.868 -0.912 -12.679 1.00 0.00 C ATOM 1120 C LYS A 71 -0.364 -0.956 -12.946 1.00 0.00 C ATOM 1121 O LYS A 71 0.063 -0.839 -14.095 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.409 0.478 -13.024 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.395 0.789 -14.509 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.897 2.196 -14.782 1.00 0.00 C ATOM 1125 CE LYS A 71 -3.146 2.418 -16.263 1.00 0.00 C ATOM 1126 NZ LYS A 71 -1.905 2.243 -17.069 1.00 0.00 N ATOM 0 H LYS A 71 -2.592 -0.468 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.334 -1.667 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.431 0.562 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.818 1.228 -12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.382 0.680 -14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.018 0.069 -15.040 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.819 2.369 -14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.167 2.921 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.907 1.719 -16.612 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.541 3.422 -16.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.094 2.502 -18.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.155 2.855 -16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.599 1.250 -17.023 1.00 0.00 H new ATOM 1140 N LEU A 72 0.444 -1.128 -11.903 1.00 0.00 N ATOM 1141 CA LEU A 72 1.892 -1.121 -12.091 1.00 0.00 C ATOM 1142 C LEU A 72 2.557 -2.493 -12.017 1.00 0.00 C ATOM 1143 O LEU A 72 3.452 -2.784 -12.811 1.00 0.00 O ATOM 1144 CB LEU A 72 2.513 -0.255 -11.005 1.00 0.00 C ATOM 1145 CG LEU A 72 2.972 1.136 -11.442 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.089 1.039 -12.470 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.803 1.943 -11.993 1.00 0.00 C ATOM 0 H LEU A 72 0.132 -1.270 -10.942 1.00 0.00 H new ATOM 0 HA LEU A 72 2.059 -0.743 -13.099 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.788 -0.141 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.370 -0.786 -10.590 1.00 0.00 H new ATOM 0 HG LEU A 72 3.361 1.654 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.399 2.041 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.938 0.510 -12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.732 0.496 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.153 2.929 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.378 1.427 -12.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.040 2.051 -11.222 1.00 0.00 H new ATOM 1159 N ASN A 73 2.139 -3.337 -11.084 1.00 0.00 N ATOM 1160 CA ASN A 73 2.779 -4.644 -10.946 1.00 0.00 C ATOM 1161 C ASN A 73 1.826 -5.834 -11.023 1.00 0.00 C ATOM 1162 O ASN A 73 2.055 -6.770 -11.790 1.00 0.00 O ATOM 1163 CB ASN A 73 3.546 -4.701 -9.625 1.00 0.00 C ATOM 1164 CG ASN A 73 4.528 -3.556 -9.481 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.194 -2.500 -8.943 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.748 -3.759 -9.963 1.00 0.00 N ATOM 0 H ASN A 73 1.381 -3.152 -10.427 1.00 0.00 H new ATOM 0 HA ASN A 73 3.446 -4.736 -11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.839 -4.677 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.083 -5.648 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.452 -3.024 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.982 -4.650 -10.401 1.00 0.00 H new ATOM 1173 N TYR A 74 0.761 -5.799 -10.233 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.169 -6.932 -10.172 1.00 0.00 C ATOM 1175 C TYR A 74 -1.638 -6.523 -10.147 1.00 0.00 C ATOM 1176 O TYR A 74 -2.338 -6.777 -9.166 1.00 0.00 O ATOM 1177 CB TYR A 74 0.153 -7.804 -8.958 1.00 0.00 C ATOM 1178 CG TYR A 74 1.433 -8.597 -9.112 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.432 -9.842 -9.730 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.643 -8.098 -8.646 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.598 -10.568 -9.874 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.814 -8.817 -8.789 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.787 -10.051 -9.403 1.00 0.00 C ATOM 1184 OH TYR A 74 4.951 -10.770 -9.547 1.00 0.00 O ATOM 0 H TYR A 74 0.517 -5.013 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.027 -7.496 -11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.231 -7.170 -8.075 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.674 -8.493 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.504 -10.248 -10.104 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.669 -7.132 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.579 -11.536 -10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.746 -8.414 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 74 5.698 -10.264 -9.163 1.00 0.00 H new ATOM 1194 N MET A 75 -2.100 -5.879 -11.212 1.00 0.00 N ATOM 1195 CA MET A 75 -3.495 -5.453 -11.295 1.00 0.00 C ATOM 1196 C MET A 75 -4.447 -6.614 -11.000 1.00 0.00 C ATOM 1197 O MET A 75 -5.618 -6.401 -10.685 1.00 0.00 O ATOM 1198 CB MET A 75 -3.794 -4.880 -12.682 1.00 0.00 C ATOM 1199 CG MET A 75 -3.427 -5.819 -13.821 1.00 0.00 C ATOM 1200 SD MET A 75 -3.842 -5.145 -15.441 1.00 0.00 S ATOM 1201 CE MET A 75 -5.626 -5.040 -15.317 1.00 0.00 C ATOM 0 H MET A 75 -1.534 -5.641 -12.027 1.00 0.00 H new ATOM 0 HA MET A 75 -3.652 -4.679 -10.543 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.856 -4.642 -12.746 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.249 -3.944 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.358 -6.029 -13.783 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.944 -6.769 -13.684 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.059 -5.006 -16.317 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.006 -5.913 -14.787 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.900 -4.137 -14.772 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.937 -7.839 -11.105 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.740 -9.029 -10.840 1.00 0.00 C ATOM 1213 C HIS A 76 -4.844 -9.304 -9.340 1.00 0.00 C ATOM 1214 O HIS A 76 -5.938 -9.501 -8.811 1.00 0.00 O ATOM 1215 CB HIS A 76 -4.141 -10.242 -11.554 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.231 -10.162 -13.047 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -3.210 -9.717 -13.855 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.253 -10.487 -13.879 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -3.632 -9.783 -15.126 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -4.866 -10.244 -15.194 1.00 0.00 N ATOM 0 H HIS A 76 -2.972 -8.033 -11.372 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.744 -8.848 -11.223 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.095 -10.343 -11.266 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.653 -11.143 -11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.213 -10.873 -13.570 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.039 -9.496 -15.982 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.422 -10.392 -16.036 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.698 -9.319 -8.661 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.661 -9.573 -7.223 1.00 0.00 C ATOM 1230 C ILE A 77 -4.403 -8.487 -6.451 1.00 0.00 C ATOM 1231 O ILE A 77 -5.227 -8.781 -5.585 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.208 -9.662 -6.702 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.521 -10.910 -7.266 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.182 -9.675 -5.177 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.068 -11.046 -6.857 1.00 0.00 C ATOM 0 H ILE A 77 -2.784 -9.158 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.156 -10.531 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.662 -8.781 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.066 -11.794 -6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.582 -10.886 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.150 -9.738 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.637 -8.760 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.741 -10.536 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.350 -11.953 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.492 -10.181 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.000 -11.103 -5.771 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.100 -7.232 -6.768 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.732 -6.097 -6.103 1.00 0.00 C ATOM 1249 C ALA A 78 -6.254 -6.189 -6.170 1.00 0.00 C ATOM 1250 O ALA A 78 -6.948 -5.713 -5.275 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.251 -4.794 -6.720 1.00 0.00 C ATOM 0 H ALA A 78 -3.419 -6.975 -7.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.444 -6.119 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.729 -3.954 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.170 -4.716 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.509 -4.776 -7.779 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.765 -6.797 -7.238 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.207 -6.947 -7.417 1.00 0.00 C ATOM 1259 C ASN A 79 -8.838 -7.648 -6.215 1.00 0.00 C ATOM 1260 O ASN A 79 -9.967 -7.344 -5.828 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.499 -7.741 -8.695 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.963 -7.689 -9.097 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.849 -7.546 -8.255 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.222 -7.810 -10.394 1.00 0.00 N ATOM 0 H ASN A 79 -6.203 -7.193 -7.991 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.644 -5.952 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.889 -7.349 -9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.204 -8.780 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.186 -7.786 -10.726 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.457 -7.927 -11.058 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.105 -8.589 -5.632 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.594 -9.334 -4.477 1.00 0.00 C ATOM 1273 C ALA A 80 -8.622 -8.471 -3.216 1.00 0.00 C ATOM 1274 O ALA A 80 -9.561 -8.545 -2.425 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.739 -10.571 -4.249 1.00 0.00 C ATOM 0 H ALA A 80 -7.170 -8.855 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.618 -9.639 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.114 -11.118 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.783 -11.211 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.707 -10.272 -4.069 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.588 -7.652 -3.036 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.488 -6.788 -1.862 1.00 0.00 C ATOM 1283 C LEU A 81 -8.498 -5.643 -1.908 1.00 0.00 C ATOM 1284 O LEU A 81 -9.140 -5.336 -0.904 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.072 -6.224 -1.739 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.987 -7.255 -1.414 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.610 -6.612 -1.467 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -5.232 -7.878 -0.047 1.00 0.00 C ATOM 0 H LEU A 81 -6.808 -7.569 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.716 -7.399 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.812 -5.729 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.069 -5.459 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.029 -8.045 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.851 -7.358 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.433 -6.214 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.558 -5.802 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.451 -8.608 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.218 -7.099 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.203 -8.374 -0.042 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.630 -5.009 -3.070 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.561 -3.894 -3.230 1.00 0.00 C ATOM 1302 C GLU A 82 -10.981 -4.310 -2.855 1.00 0.00 C ATOM 1303 O GLU A 82 -11.790 -3.483 -2.431 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.530 -3.370 -4.668 1.00 0.00 C ATOM 1305 CG GLU A 82 -9.998 -4.378 -5.702 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.047 -3.793 -7.100 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -8.998 -3.781 -7.776 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.137 -3.344 -7.517 1.00 0.00 O ATOM 0 H GLU A 82 -8.106 -5.247 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.247 -3.096 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.156 -2.480 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.513 -3.062 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.329 -5.239 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.989 -4.742 -5.428 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.275 -5.596 -3.015 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.595 -6.127 -2.690 1.00 0.00 C ATOM 1317 C GLU A 83 -12.860 -6.033 -1.188 1.00 0.00 C ATOM 1318 O GLU A 83 -13.996 -5.831 -0.760 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.705 -7.580 -3.156 1.00 0.00 C ATOM 1320 CG GLU A 83 -14.077 -8.195 -2.926 1.00 0.00 C ATOM 1321 CD GLU A 83 -14.147 -9.644 -3.367 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.449 -9.891 -4.553 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.897 -10.533 -2.526 1.00 0.00 O ATOM 0 H GLU A 83 -10.617 -6.291 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.345 -5.530 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.468 -7.630 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.957 -8.177 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.328 -8.129 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.826 -7.617 -3.468 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.801 -6.181 -0.397 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.910 -6.116 1.057 1.00 0.00 C ATOM 1332 C LYS A 84 -12.333 -4.723 1.520 1.00 0.00 C ATOM 1333 O LYS A 84 -12.978 -4.578 2.559 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.576 -6.497 1.706 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.612 -6.490 3.227 1.00 0.00 C ATOM 1336 CD LYS A 84 -9.300 -6.975 3.828 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.137 -6.067 3.452 1.00 0.00 C ATOM 1338 NZ LYS A 84 -8.420 -4.641 3.774 1.00 0.00 N ATOM 0 H LYS A 84 -10.855 -6.347 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.677 -6.826 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.286 -7.490 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.806 -5.804 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.822 -5.481 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.427 -7.125 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.391 -7.018 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.095 -7.989 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.240 -6.388 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.930 -6.164 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.542 -4.173 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.794 -4.162 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.122 -4.591 4.540 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.963 -3.703 0.749 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.296 -2.321 1.088 1.00 0.00 C ATOM 1354 C LYS A 85 -13.788 -2.155 1.365 1.00 0.00 C ATOM 1355 O LYS A 85 -14.182 -1.361 2.220 1.00 0.00 O ATOM 1356 CB LYS A 85 -11.868 -1.375 -0.036 1.00 0.00 C ATOM 1357 CG LYS A 85 -10.380 -1.426 -0.342 1.00 0.00 C ATOM 1358 CD LYS A 85 -9.878 -0.112 -0.928 1.00 0.00 C ATOM 1359 CE LYS A 85 -10.604 0.254 -2.212 1.00 0.00 C ATOM 1360 NZ LYS A 85 -10.454 -0.795 -3.258 1.00 0.00 N ATOM 0 H LYS A 85 -11.432 -3.807 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.752 -2.068 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.425 -1.623 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.140 -0.355 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.829 -1.651 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.181 -2.236 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.011 0.685 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.809 -0.188 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.662 0.405 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.217 1.200 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.831 -0.442 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.447 -1.030 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.979 -1.647 -2.973 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.614 -2.901 0.637 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.062 -2.829 0.813 1.00 0.00 C ATOM 1376 C LYS A 86 -16.452 -3.102 2.264 1.00 0.00 C ATOM 1377 O LYS A 86 -17.372 -2.480 2.796 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.760 -3.825 -0.113 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.621 -3.481 -1.589 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.321 -4.502 -2.472 1.00 0.00 C ATOM 1381 CE LYS A 86 -16.635 -5.858 -2.412 1.00 0.00 C ATOM 1382 NZ LYS A 86 -17.268 -6.842 -3.330 1.00 0.00 N ATOM 0 H LYS A 86 -14.307 -3.560 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.383 -1.819 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.349 -4.820 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.818 -3.868 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.040 -2.492 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.565 -3.434 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.360 -4.605 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.334 -4.145 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.583 -5.744 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.672 -6.238 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.951 -7.801 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.303 -6.786 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.994 -6.628 -4.310 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.748 -4.036 2.897 1.00 0.00 N ATOM 1397 CA GLU A 87 -16.018 -4.388 4.287 1.00 0.00 C ATOM 1398 C GLU A 87 -15.444 -3.335 5.230 1.00 0.00 C ATOM 1399 O GLU A 87 -15.964 -3.114 6.323 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.426 -5.762 4.611 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.685 -6.221 6.038 1.00 0.00 C ATOM 1402 CD GLU A 87 -15.046 -7.561 6.341 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -15.685 -8.599 6.069 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -13.904 -7.573 6.849 1.00 0.00 O ATOM 0 H GLU A 87 -14.986 -4.563 2.469 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.098 -4.427 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.841 -6.498 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.350 -5.734 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.301 -5.474 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.760 -6.289 6.205 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.367 -2.692 4.796 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.714 -1.659 5.591 1.00 0.00 C ATOM 1413 C ALA A 88 -14.666 -0.507 5.900 1.00 0.00 C ATOM 1414 O ALA A 88 -14.523 0.173 6.916 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.475 -1.149 4.870 1.00 0.00 C ATOM 0 H ALA A 88 -13.926 -2.869 3.894 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.415 -2.103 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.995 -0.378 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.779 -1.974 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.762 -0.730 3.906 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.632 -0.291 5.011 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.610 0.783 5.177 1.00 0.00 C ATOM 1423 C GLU A 89 -17.265 0.739 6.555 1.00 0.00 C ATOM 1424 O GLU A 89 -17.285 1.739 7.273 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.685 0.693 4.092 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.130 0.744 2.678 1.00 0.00 C ATOM 1427 CD GLU A 89 -16.326 2.000 2.412 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -16.937 3.042 2.094 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -15.083 1.944 2.522 1.00 0.00 O ATOM 0 H GLU A 89 -15.759 -0.847 4.165 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.077 1.729 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.242 -0.235 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.393 1.511 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.500 -0.129 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.954 0.687 1.966 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.801 -0.422 6.922 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.464 -0.579 8.212 1.00 0.00 C ATOM 1438 C ARG A 90 -17.457 -0.579 9.359 1.00 0.00 C ATOM 1439 O ARG A 90 -17.822 -0.355 10.513 1.00 0.00 O ATOM 1440 CB ARG A 90 -19.288 -1.869 8.239 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.453 -3.133 8.109 1.00 0.00 C ATOM 1442 CD ARG A 90 -19.308 -4.382 8.256 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.509 -5.601 8.204 1.00 0.00 N ATOM 1444 CZ ARG A 90 -18.933 -6.780 8.650 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -20.143 -6.895 9.179 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -18.147 -7.844 8.568 1.00 0.00 N ATOM 0 H ARG A 90 -17.789 -1.264 6.347 1.00 0.00 H new ATOM 0 HA ARG A 90 -19.131 0.272 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.850 -1.910 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -20.016 -1.841 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.955 -3.143 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.671 -3.134 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.848 -4.342 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -20.056 -4.405 7.463 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.573 -5.546 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -20.751 -6.078 9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.466 -7.800 9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.215 -7.760 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.474 -8.747 8.911 1.00 0.00 H new ATOM 1460 N LYS A 91 -16.190 -0.828 9.038 1.00 0.00 N ATOM 1461 CA LYS A 91 -15.138 -0.854 10.051 1.00 0.00 C ATOM 1462 C LYS A 91 -14.831 0.552 10.559 1.00 0.00 C ATOM 1463 O LYS A 91 -14.486 0.738 11.727 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.865 -1.492 9.492 1.00 0.00 C ATOM 1465 CG LYS A 91 -14.022 -2.963 9.141 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.689 -3.594 8.765 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.750 -3.679 9.960 1.00 0.00 C ATOM 1468 NZ LYS A 91 -12.332 -4.485 11.068 1.00 0.00 N ATOM 0 H LYS A 91 -15.867 -1.014 8.088 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.498 -1.455 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.557 -0.946 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.064 -1.386 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.451 -3.496 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.722 -3.067 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.859 -4.593 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.220 -3.009 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.804 -4.121 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.529 -2.674 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.576 -4.776 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.032 -3.913 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.796 -5.330 10.676 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.956 1.536 9.676 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.687 2.924 10.036 1.00 0.00 C ATOM 1484 C LEU A 92 -15.767 3.472 10.961 1.00 0.00 C ATOM 1485 O LEU A 92 -15.650 4.587 11.472 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.591 3.791 8.779 1.00 0.00 C ATOM 1487 CG LEU A 92 -13.429 3.454 7.844 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -13.514 4.280 6.571 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.098 3.688 8.542 1.00 0.00 C ATOM 0 H LEU A 92 -15.242 1.399 8.706 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.735 2.953 10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.523 3.700 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.502 4.834 9.082 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.497 2.400 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.679 4.027 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.453 4.066 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -13.471 5.340 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.282 3.443 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.022 4.734 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.035 3.055 9.427 1.00 0.00 H new