USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.0146 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -47:sc= 0.704 USER MOD Single : A 10 GLN : amide:sc= -0.746 K(o=-0.75,f=-2.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 174:sc= -0.515 USER MOD Single : A 17 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.6! C(o=-4.6!,f=-5.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.148 (180deg=-0.606) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -26:sc= -0.536 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0399 (180deg=-0.268) USER MOD Single : A 62 ASN : amide:sc=-0.00518 K(o=-0.0052,f=-0.6) USER MOD Single : A 67 THR OG1 : rot -48:sc= 0.0332 USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.708 USER MOD Single : A 71 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.132 7.723 6.158 1.00 0.00 N ATOM 2 CA GLY A 1 -7.764 8.925 5.648 1.00 0.00 C ATOM 3 C GLY A 1 -8.108 8.820 4.176 1.00 0.00 C ATOM 4 O GLY A 1 -7.386 8.185 3.406 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.485 7.973 6.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.861 7.071 6.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.596 7.262 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.672 9.123 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.099 9.775 5.803 1.00 0.00 H new ATOM 8 N SER A 2 -9.216 9.441 3.782 1.00 0.00 N ATOM 9 CA SER A 2 -9.658 9.409 2.393 1.00 0.00 C ATOM 10 C SER A 2 -9.008 10.532 1.590 1.00 0.00 C ATOM 11 O SER A 2 -8.547 10.321 0.468 1.00 0.00 O ATOM 12 CB SER A 2 -11.181 9.528 2.317 1.00 0.00 C ATOM 13 OG SER A 2 -11.804 8.282 2.579 1.00 0.00 O ATOM 0 H SER A 2 -9.824 9.972 4.406 1.00 0.00 H new ATOM 0 HA SER A 2 -9.354 8.455 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.527 10.270 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.472 9.883 1.328 1.00 0.00 H new ATOM 0 HG SER A 2 -12.777 8.385 2.526 1.00 0.00 H new ATOM 19 N SER A 3 -8.975 11.725 2.174 1.00 0.00 N ATOM 20 CA SER A 3 -8.385 12.884 1.513 1.00 0.00 C ATOM 21 C SER A 3 -6.941 12.603 1.111 1.00 0.00 C ATOM 22 O SER A 3 -6.550 12.815 -0.036 1.00 0.00 O ATOM 23 CB SER A 3 -8.444 14.106 2.431 1.00 0.00 C ATOM 24 OG SER A 3 -9.742 14.673 2.444 1.00 0.00 O ATOM 0 H SER A 3 -9.350 11.915 3.103 1.00 0.00 H new ATOM 0 HA SER A 3 -8.961 13.089 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.160 13.818 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.722 14.851 2.097 1.00 0.00 H new ATOM 0 HG SER A 3 -9.753 15.451 3.040 1.00 0.00 H new ATOM 30 N GLY A 4 -6.150 12.124 2.067 1.00 0.00 N ATOM 31 CA GLY A 4 -4.757 11.822 1.795 1.00 0.00 C ATOM 32 C GLY A 4 -3.890 13.065 1.758 1.00 0.00 C ATOM 33 O GLY A 4 -4.399 14.185 1.794 1.00 0.00 O ATOM 0 H GLY A 4 -6.449 11.940 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.380 11.143 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.681 11.301 0.840 1.00 0.00 H new ATOM 37 N SER A 5 -2.578 12.868 1.689 1.00 0.00 N ATOM 38 CA SER A 5 -1.638 13.982 1.653 1.00 0.00 C ATOM 39 C SER A 5 -0.268 13.522 1.166 1.00 0.00 C ATOM 40 O SER A 5 -0.016 12.325 1.026 1.00 0.00 O ATOM 41 CB SER A 5 -1.513 14.616 3.040 1.00 0.00 C ATOM 42 OG SER A 5 -0.783 15.829 2.982 1.00 0.00 O ATOM 0 H SER A 5 -2.141 11.947 1.657 1.00 0.00 H new ATOM 0 HA SER A 5 -2.021 14.726 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.506 14.805 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.017 13.921 3.718 1.00 0.00 H new ATOM 0 HG SER A 5 -0.719 16.215 3.880 1.00 0.00 H new ATOM 48 N SER A 6 0.615 14.482 0.908 1.00 0.00 N ATOM 49 CA SER A 6 1.959 14.177 0.433 1.00 0.00 C ATOM 50 C SER A 6 2.924 14.009 1.602 1.00 0.00 C ATOM 51 O SER A 6 3.205 14.960 2.331 1.00 0.00 O ATOM 52 CB SER A 6 2.457 15.284 -0.499 1.00 0.00 C ATOM 53 OG SER A 6 3.646 14.894 -1.164 1.00 0.00 O ATOM 0 H SER A 6 0.423 15.478 1.020 1.00 0.00 H new ATOM 0 HA SER A 6 1.918 13.238 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.687 15.520 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.639 16.193 0.075 1.00 0.00 H new ATOM 0 HG SER A 6 3.943 15.617 -1.755 1.00 0.00 H new ATOM 59 N GLY A 7 3.429 12.791 1.775 1.00 0.00 N ATOM 60 CA GLY A 7 4.357 12.519 2.857 1.00 0.00 C ATOM 61 C GLY A 7 3.957 11.306 3.673 1.00 0.00 C ATOM 62 O GLY A 7 3.820 11.387 4.893 1.00 0.00 O ATOM 0 H GLY A 7 3.212 11.988 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.354 12.363 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.414 13.390 3.510 1.00 0.00 H new ATOM 66 N SER A 8 3.768 10.177 2.997 1.00 0.00 N ATOM 67 CA SER A 8 3.376 8.942 3.666 1.00 0.00 C ATOM 68 C SER A 8 4.226 7.770 3.186 1.00 0.00 C ATOM 69 O SER A 8 4.712 7.762 2.055 1.00 0.00 O ATOM 70 CB SER A 8 1.895 8.649 3.415 1.00 0.00 C ATOM 71 OG SER A 8 1.071 9.398 4.292 1.00 0.00 O ATOM 0 H SER A 8 3.880 10.092 1.987 1.00 0.00 H new ATOM 0 HA SER A 8 3.538 9.071 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.644 8.888 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.703 7.585 3.551 1.00 0.00 H new ATOM 0 HG SER A 8 0.130 9.194 4.110 1.00 0.00 H new ATOM 77 N THR A 9 4.403 6.780 4.055 1.00 0.00 N ATOM 78 CA THR A 9 5.195 5.603 3.722 1.00 0.00 C ATOM 79 C THR A 9 4.331 4.347 3.699 1.00 0.00 C ATOM 80 O THR A 9 4.814 3.246 3.961 1.00 0.00 O ATOM 81 CB THR A 9 6.348 5.400 4.723 1.00 0.00 C ATOM 82 OG1 THR A 9 7.234 4.379 4.250 1.00 0.00 O ATOM 83 CG2 THR A 9 5.813 5.018 6.095 1.00 0.00 C ATOM 0 H THR A 9 4.008 6.770 4.995 1.00 0.00 H new ATOM 0 HA THR A 9 5.611 5.773 2.729 1.00 0.00 H new ATOM 0 HB THR A 9 6.892 6.340 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.712 3.603 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.646 4.880 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.163 5.810 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.247 4.090 6.019 1.00 0.00 H new ATOM 91 N GLN A 10 3.052 4.520 3.383 1.00 0.00 N ATOM 92 CA GLN A 10 2.121 3.399 3.325 1.00 0.00 C ATOM 93 C GLN A 10 1.919 2.933 1.888 1.00 0.00 C ATOM 94 O GLN A 10 0.793 2.683 1.456 1.00 0.00 O ATOM 95 CB GLN A 10 0.777 3.793 3.940 1.00 0.00 C ATOM 96 CG GLN A 10 0.793 3.841 5.459 1.00 0.00 C ATOM 97 CD GLN A 10 1.680 4.946 5.999 1.00 0.00 C ATOM 98 OE1 GLN A 10 1.679 6.065 5.486 1.00 0.00 O ATOM 99 NE2 GLN A 10 2.444 4.636 7.040 1.00 0.00 N ATOM 0 H GLN A 10 2.637 5.425 3.163 1.00 0.00 H new ATOM 0 HA GLN A 10 2.547 2.575 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.485 4.771 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.016 3.083 3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.224 3.985 5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.138 2.882 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.413 3.695 7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.062 5.338 7.446 1.00 0.00 H new ATOM 108 N THR A 11 3.018 2.817 1.148 1.00 0.00 N ATOM 109 CA THR A 11 2.961 2.382 -0.242 1.00 0.00 C ATOM 110 C THR A 11 3.191 0.879 -0.357 1.00 0.00 C ATOM 111 O THR A 11 2.426 0.173 -1.016 1.00 0.00 O ATOM 112 CB THR A 11 4.005 3.117 -1.103 1.00 0.00 C ATOM 113 OG1 THR A 11 3.751 4.526 -1.084 1.00 0.00 O ATOM 114 CG2 THR A 11 3.976 2.610 -2.538 1.00 0.00 C ATOM 0 H THR A 11 3.958 3.018 1.489 1.00 0.00 H new ATOM 0 HA THR A 11 1.963 2.623 -0.609 1.00 0.00 H new ATOM 0 HB THR A 11 4.992 2.921 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.420 4.986 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.722 3.143 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.198 1.543 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.987 2.780 -2.964 1.00 0.00 H new ATOM 122 N ASP A 12 4.247 0.396 0.287 1.00 0.00 N ATOM 123 CA ASP A 12 4.577 -1.025 0.258 1.00 0.00 C ATOM 124 C ASP A 12 3.874 -1.769 1.389 1.00 0.00 C ATOM 125 O ASP A 12 3.337 -2.858 1.191 1.00 0.00 O ATOM 126 CB ASP A 12 6.090 -1.222 0.363 1.00 0.00 C ATOM 127 CG ASP A 12 6.839 -0.570 -0.782 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.853 -1.149 -1.889 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.412 0.519 -0.572 1.00 0.00 O ATOM 0 H ASP A 12 4.890 0.967 0.836 1.00 0.00 H new ATOM 0 HA ASP A 12 4.231 -1.434 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.443 -0.807 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.314 -2.289 0.380 1.00 0.00 H new ATOM 134 N LYS A 13 3.883 -1.173 2.577 1.00 0.00 N ATOM 135 CA LYS A 13 3.248 -1.778 3.742 1.00 0.00 C ATOM 136 C LYS A 13 1.820 -2.209 3.420 1.00 0.00 C ATOM 137 O LYS A 13 1.436 -3.352 3.668 1.00 0.00 O ATOM 138 CB LYS A 13 3.242 -0.794 4.914 1.00 0.00 C ATOM 139 CG LYS A 13 2.678 -1.380 6.197 1.00 0.00 C ATOM 140 CD LYS A 13 3.746 -2.107 6.995 1.00 0.00 C ATOM 141 CE LYS A 13 4.458 -1.168 7.958 1.00 0.00 C ATOM 142 NZ LYS A 13 5.496 -1.877 8.757 1.00 0.00 N ATOM 0 H LYS A 13 4.323 -0.271 2.758 1.00 0.00 H new ATOM 0 HA LYS A 13 3.823 -2.662 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.261 -0.454 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.658 0.084 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.249 -0.583 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.869 -2.070 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.291 -2.926 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.472 -2.550 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.922 -0.356 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.729 -0.715 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.958 -1.204 9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.050 -2.635 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.206 -2.288 8.117 1.00 0.00 H new ATOM 156 N ALA A 14 1.040 -1.288 2.865 1.00 0.00 N ATOM 157 CA ALA A 14 -0.344 -1.575 2.505 1.00 0.00 C ATOM 158 C ALA A 14 -0.438 -2.824 1.636 1.00 0.00 C ATOM 159 O ALA A 14 -1.248 -3.714 1.896 1.00 0.00 O ATOM 160 CB ALA A 14 -0.961 -0.383 1.789 1.00 0.00 C ATOM 0 H ALA A 14 1.342 -0.337 2.655 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.901 -1.761 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.994 -0.611 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.937 0.487 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.395 -0.170 0.882 1.00 0.00 H new ATOM 166 N LEU A 15 0.395 -2.884 0.603 1.00 0.00 N ATOM 167 CA LEU A 15 0.406 -4.025 -0.306 1.00 0.00 C ATOM 168 C LEU A 15 0.737 -5.313 0.441 1.00 0.00 C ATOM 169 O LEU A 15 0.109 -6.349 0.221 1.00 0.00 O ATOM 170 CB LEU A 15 1.420 -3.799 -1.429 1.00 0.00 C ATOM 171 CG LEU A 15 1.270 -2.495 -2.214 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.484 -2.265 -3.101 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.003 -2.517 -3.047 1.00 0.00 C ATOM 0 H LEU A 15 1.072 -2.156 0.374 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.590 -4.123 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.421 -3.828 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.349 -4.632 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 15 1.201 -1.671 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.360 -1.333 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.380 -2.205 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.583 -3.092 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.093 -1.581 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.036 -3.350 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.865 -2.636 -2.391 1.00 0.00 H new ATOM 185 N TYR A 16 1.725 -5.241 1.326 1.00 0.00 N ATOM 186 CA TYR A 16 2.139 -6.401 2.106 1.00 0.00 C ATOM 187 C TYR A 16 0.937 -7.078 2.757 1.00 0.00 C ATOM 188 O TYR A 16 0.667 -8.253 2.516 1.00 0.00 O ATOM 189 CB TYR A 16 3.148 -5.987 3.178 1.00 0.00 C ATOM 190 CG TYR A 16 3.978 -7.136 3.705 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.722 -7.933 2.843 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.018 -7.425 5.063 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.481 -8.984 3.320 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.775 -8.473 5.548 1.00 0.00 C ATOM 195 CZ TYR A 16 5.505 -9.250 4.673 1.00 0.00 C ATOM 196 OH TYR A 16 6.259 -10.296 5.153 1.00 0.00 O ATOM 0 H TYR A 16 2.254 -4.391 1.521 1.00 0.00 H new ATOM 0 HA TYR A 16 2.610 -7.113 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.813 -5.229 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.614 -5.525 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.706 -7.727 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.447 -6.820 5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.053 -9.594 2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.795 -8.683 6.607 1.00 0.00 H new ATOM 0 HH TYR A 16 6.242 -10.289 6.133 1.00 0.00 H new ATOM 206 N ASN A 17 0.218 -6.325 3.583 1.00 0.00 N ATOM 207 CA ASN A 17 -0.956 -6.850 4.270 1.00 0.00 C ATOM 208 C ASN A 17 -1.814 -7.683 3.322 1.00 0.00 C ATOM 209 O ASN A 17 -2.124 -8.840 3.603 1.00 0.00 O ATOM 210 CB ASN A 17 -1.786 -5.705 4.854 1.00 0.00 C ATOM 211 CG ASN A 17 -1.355 -5.338 6.261 1.00 0.00 C ATOM 212 OD1 ASN A 17 -2.126 -5.469 7.212 1.00 0.00 O ATOM 213 ND2 ASN A 17 -0.118 -4.876 6.399 1.00 0.00 N ATOM 0 H ASN A 17 0.428 -5.349 3.793 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.614 -7.492 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.697 -4.830 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.838 -5.990 4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.228 -4.613 7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.486 -4.784 5.582 1.00 0.00 H new ATOM 220 N ARG A 18 -2.193 -7.085 2.197 1.00 0.00 N ATOM 221 CA ARG A 18 -3.015 -7.770 1.207 1.00 0.00 C ATOM 222 C ARG A 18 -2.314 -9.024 0.692 1.00 0.00 C ATOM 223 O ARG A 18 -2.886 -10.115 0.698 1.00 0.00 O ATOM 224 CB ARG A 18 -3.331 -6.834 0.039 1.00 0.00 C ATOM 225 CG ARG A 18 -4.499 -5.899 0.308 1.00 0.00 C ATOM 226 CD ARG A 18 -4.403 -4.634 -0.531 1.00 0.00 C ATOM 227 NE ARG A 18 -4.581 -4.906 -1.955 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.993 -3.997 -2.831 1.00 0.00 C ATOM 229 NH1 ARG A 18 -5.269 -2.763 -2.431 1.00 0.00 N ATOM 230 NH2 ARG A 18 -5.130 -4.321 -4.110 1.00 0.00 N ATOM 0 H ARG A 18 -1.944 -6.128 1.949 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.947 -8.067 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.446 -6.240 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.551 -7.432 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.435 -6.412 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.520 -5.635 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.159 -3.922 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.432 -4.165 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.378 -5.846 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.165 -2.510 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.585 -2.067 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.919 -5.269 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.447 -3.622 -4.782 1.00 0.00 H new ATOM 244 N LEU A 19 -1.073 -8.861 0.248 1.00 0.00 N ATOM 245 CA LEU A 19 -0.293 -9.980 -0.271 1.00 0.00 C ATOM 246 C LEU A 19 -0.278 -11.139 0.720 1.00 0.00 C ATOM 247 O LEU A 19 -0.354 -12.305 0.330 1.00 0.00 O ATOM 248 CB LEU A 19 1.138 -9.533 -0.572 1.00 0.00 C ATOM 249 CG LEU A 19 1.329 -8.700 -1.841 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.746 -8.155 -1.913 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.011 -9.530 -3.076 1.00 0.00 C ATOM 0 H LEU A 19 -0.585 -7.965 0.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.762 -10.321 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.503 -8.954 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.766 -10.420 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 19 0.639 -7.857 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.863 -7.565 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.938 -7.525 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.454 -8.983 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.152 -8.922 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.676 -10.393 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.023 -9.871 -3.029 1.00 0.00 H new ATOM 263 N VAL A 20 -0.182 -10.812 2.005 1.00 0.00 N ATOM 264 CA VAL A 20 -0.160 -11.825 3.053 1.00 0.00 C ATOM 265 C VAL A 20 -1.392 -11.720 3.944 1.00 0.00 C ATOM 266 O VAL A 20 -1.353 -11.152 5.036 1.00 0.00 O ATOM 267 CB VAL A 20 1.103 -11.704 3.925 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.258 -12.928 4.814 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.335 -11.508 3.054 1.00 0.00 C ATOM 0 H VAL A 20 -0.118 -9.852 2.345 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.156 -12.795 2.556 1.00 0.00 H new ATOM 0 HB VAL A 20 0.997 -10.830 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.156 -12.824 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.388 -13.018 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.342 -13.820 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.218 -11.424 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.447 -12.361 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.223 -10.598 2.465 1.00 0.00 H new ATOM 279 N PRO A 21 -2.515 -12.282 3.471 1.00 0.00 N ATOM 280 CA PRO A 21 -3.780 -12.265 4.210 1.00 0.00 C ATOM 281 C PRO A 21 -3.741 -13.155 5.447 1.00 0.00 C ATOM 282 O PRO A 21 -2.819 -13.954 5.621 1.00 0.00 O ATOM 283 CB PRO A 21 -4.791 -12.806 3.195 1.00 0.00 C ATOM 284 CG PRO A 21 -3.982 -13.638 2.262 1.00 0.00 C ATOM 285 CD PRO A 21 -2.634 -12.976 2.178 1.00 0.00 C ATOM 0 HA PRO A 21 -4.020 -11.269 4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.565 -13.398 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.295 -11.996 2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.892 -14.660 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.452 -13.692 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.836 -13.705 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.580 -12.279 1.341 1.00 0.00 H new ATOM 293 N LEU A 22 -4.745 -13.013 6.305 1.00 0.00 N ATOM 294 CA LEU A 22 -4.825 -13.805 7.528 1.00 0.00 C ATOM 295 C LEU A 22 -5.672 -15.056 7.312 1.00 0.00 C ATOM 296 O LEU A 22 -6.884 -14.972 7.117 1.00 0.00 O ATOM 297 CB LEU A 22 -5.414 -12.967 8.664 1.00 0.00 C ATOM 298 CG LEU A 22 -5.088 -13.437 10.082 1.00 0.00 C ATOM 299 CD1 LEU A 22 -4.941 -14.950 10.123 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.823 -12.762 10.591 1.00 0.00 C ATOM 0 H LEU A 22 -5.515 -12.357 6.177 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.815 -14.114 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.062 -11.941 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.498 -12.946 8.549 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.914 -13.155 10.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.709 -15.266 11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.873 -15.415 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.135 -15.255 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.607 -13.109 11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.989 -13.011 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.966 -11.681 10.601 1.00 0.00 H new ATOM 312 N VAL A 23 -5.024 -16.216 7.350 1.00 0.00 N ATOM 313 CA VAL A 23 -5.718 -17.485 7.162 1.00 0.00 C ATOM 314 C VAL A 23 -5.480 -18.421 8.341 1.00 0.00 C ATOM 315 O VAL A 23 -4.346 -18.612 8.776 1.00 0.00 O ATOM 316 CB VAL A 23 -5.266 -18.185 5.866 1.00 0.00 C ATOM 317 CG1 VAL A 23 -5.833 -17.471 4.648 1.00 0.00 C ATOM 318 CG2 VAL A 23 -3.748 -18.250 5.798 1.00 0.00 C ATOM 0 H VAL A 23 -4.020 -16.303 7.509 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.782 -17.257 7.092 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.650 -19.205 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.503 -17.979 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.922 -17.482 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.481 -16.440 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.446 -18.747 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.339 -17.240 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.369 -18.810 6.653 1.00 0.00 H new ATOM 328 N ASN A 24 -6.560 -19.003 8.854 1.00 0.00 N ATOM 329 CA ASN A 24 -6.469 -19.920 9.985 1.00 0.00 C ATOM 330 C ASN A 24 -5.780 -19.254 11.172 1.00 0.00 C ATOM 331 O ASN A 24 -4.993 -19.882 11.879 1.00 0.00 O ATOM 332 CB ASN A 24 -5.707 -21.185 9.582 1.00 0.00 C ATOM 333 CG ASN A 24 -6.472 -22.026 8.579 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.122 -23.006 8.941 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.397 -21.645 7.309 1.00 0.00 N ATOM 0 H ASN A 24 -7.507 -18.856 8.505 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.482 -20.193 10.282 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.743 -20.905 9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.503 -21.781 10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.891 -22.172 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.846 -20.825 7.054 1.00 0.00 H new ATOM 342 N GLY A 25 -6.083 -17.977 11.385 1.00 0.00 N ATOM 343 CA GLY A 25 -5.486 -17.247 12.487 1.00 0.00 C ATOM 344 C GLY A 25 -3.974 -17.187 12.391 1.00 0.00 C ATOM 345 O GLY A 25 -3.287 -17.009 13.398 1.00 0.00 O ATOM 0 H GLY A 25 -6.731 -17.435 10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.886 -16.233 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.769 -17.720 13.428 1.00 0.00 H new ATOM 349 N VAL A 26 -3.453 -17.338 11.178 1.00 0.00 N ATOM 350 CA VAL A 26 -2.013 -17.301 10.954 1.00 0.00 C ATOM 351 C VAL A 26 -1.689 -16.849 9.535 1.00 0.00 C ATOM 352 O VAL A 26 -2.471 -17.067 8.609 1.00 0.00 O ATOM 353 CB VAL A 26 -1.371 -18.679 11.201 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.976 -19.724 10.277 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.138 -18.604 11.019 1.00 0.00 C ATOM 0 H VAL A 26 -4.007 -17.487 10.335 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.601 -16.584 11.664 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.576 -18.976 12.229 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.510 -20.691 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.048 -19.796 10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.805 -19.436 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.575 -19.586 11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.366 -18.284 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.555 -17.887 11.727 1.00 0.00 H new ATOM 365 N ARG A 27 -0.530 -16.219 9.370 1.00 0.00 N ATOM 366 CA ARG A 27 -0.102 -15.735 8.063 1.00 0.00 C ATOM 367 C ARG A 27 1.061 -16.567 7.530 1.00 0.00 C ATOM 368 O ARG A 27 2.127 -16.624 8.143 1.00 0.00 O ATOM 369 CB ARG A 27 0.306 -14.264 8.149 1.00 0.00 C ATOM 370 CG ARG A 27 -0.839 -13.335 8.519 1.00 0.00 C ATOM 371 CD ARG A 27 -0.342 -11.928 8.814 1.00 0.00 C ATOM 372 NE ARG A 27 -1.411 -10.938 8.714 1.00 0.00 N ATOM 373 CZ ARG A 27 -1.263 -9.660 9.045 1.00 0.00 C ATOM 374 NH1 ARG A 27 -0.096 -9.220 9.495 1.00 0.00 N ATOM 375 NH2 ARG A 27 -2.283 -8.820 8.926 1.00 0.00 N ATOM 0 H ARG A 27 0.129 -16.032 10.125 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.941 -15.832 7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.101 -14.159 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.719 -13.954 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.561 -13.303 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.361 -13.728 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.088 -11.898 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.456 -11.672 8.117 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.321 -11.245 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.690 -9.863 9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.016 -8.238 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.182 -9.155 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.168 -7.839 9.180 1.00 0.00 H new ATOM 389 N GLU A 28 0.848 -17.209 6.386 1.00 0.00 N ATOM 390 CA GLU A 28 1.879 -18.037 5.772 1.00 0.00 C ATOM 391 C GLU A 28 1.971 -17.769 4.272 1.00 0.00 C ATOM 392 O GLU A 28 0.955 -17.620 3.593 1.00 0.00 O ATOM 393 CB GLU A 28 1.587 -19.519 6.019 1.00 0.00 C ATOM 394 CG GLU A 28 0.185 -19.940 5.613 1.00 0.00 C ATOM 395 CD GLU A 28 -0.225 -21.267 6.220 1.00 0.00 C ATOM 396 OE1 GLU A 28 0.146 -22.317 5.655 1.00 0.00 O ATOM 397 OE2 GLU A 28 -0.916 -21.256 7.260 1.00 0.00 O ATOM 0 H GLU A 28 -0.029 -17.172 5.866 1.00 0.00 H new ATOM 0 HA GLU A 28 2.835 -17.780 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.311 -20.120 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.730 -19.737 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.524 -19.171 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.131 -20.010 4.527 1.00 0.00 H new ATOM 404 N PHE A 29 3.197 -17.708 3.762 1.00 0.00 N ATOM 405 CA PHE A 29 3.423 -17.456 2.344 1.00 0.00 C ATOM 406 C PHE A 29 3.058 -18.680 1.509 1.00 0.00 C ATOM 407 O PHE A 29 3.709 -19.721 1.597 1.00 0.00 O ATOM 408 CB PHE A 29 4.884 -17.075 2.099 1.00 0.00 C ATOM 409 CG PHE A 29 5.245 -15.715 2.625 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.588 -14.584 2.168 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.242 -15.567 3.576 1.00 0.00 C ATOM 412 CE1 PHE A 29 4.917 -13.331 2.650 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.575 -14.317 4.062 1.00 0.00 C ATOM 414 CZ PHE A 29 5.913 -13.198 3.598 1.00 0.00 C ATOM 0 H PHE A 29 4.049 -17.830 4.310 1.00 0.00 H new ATOM 0 HA PHE A 29 2.783 -16.627 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.529 -17.819 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.085 -17.107 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.809 -14.683 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.765 -16.439 3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.396 -12.458 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.353 -14.216 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.173 -12.220 3.976 1.00 0.00 H new ATOM 424 N SER A 30 2.012 -18.547 0.700 1.00 0.00 N ATOM 425 CA SER A 30 1.557 -19.643 -0.148 1.00 0.00 C ATOM 426 C SER A 30 2.661 -20.084 -1.104 1.00 0.00 C ATOM 427 O SER A 30 3.697 -19.430 -1.217 1.00 0.00 O ATOM 428 CB SER A 30 0.319 -19.222 -0.941 1.00 0.00 C ATOM 429 OG SER A 30 -0.518 -20.334 -1.209 1.00 0.00 O ATOM 0 H SER A 30 1.464 -17.691 0.614 1.00 0.00 H new ATOM 0 HA SER A 30 1.299 -20.484 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.238 -18.471 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.624 -18.758 -1.879 1.00 0.00 H new ATOM 0 HG SER A 30 -1.303 -20.038 -1.715 1.00 0.00 H new ATOM 435 N GLU A 31 2.431 -21.200 -1.790 1.00 0.00 N ATOM 436 CA GLU A 31 3.406 -21.730 -2.736 1.00 0.00 C ATOM 437 C GLU A 31 3.752 -20.691 -3.799 1.00 0.00 C ATOM 438 O GLU A 31 4.919 -20.512 -4.149 1.00 0.00 O ATOM 439 CB GLU A 31 2.866 -22.997 -3.402 1.00 0.00 C ATOM 440 CG GLU A 31 3.379 -23.206 -4.817 1.00 0.00 C ATOM 441 CD GLU A 31 4.857 -23.545 -4.858 1.00 0.00 C ATOM 442 OE1 GLU A 31 5.197 -24.738 -4.722 1.00 0.00 O ATOM 443 OE2 GLU A 31 5.673 -22.615 -5.026 1.00 0.00 O ATOM 0 H GLU A 31 1.578 -21.754 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 31 4.313 -21.977 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.137 -23.861 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.777 -22.951 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.813 -24.008 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.201 -22.303 -5.401 1.00 0.00 H new ATOM 450 N ILE A 32 2.731 -20.012 -4.309 1.00 0.00 N ATOM 451 CA ILE A 32 2.927 -18.991 -5.331 1.00 0.00 C ATOM 452 C ILE A 32 3.762 -17.832 -4.798 1.00 0.00 C ATOM 453 O ILE A 32 4.548 -17.233 -5.531 1.00 0.00 O ATOM 454 CB ILE A 32 1.582 -18.446 -5.847 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.803 -19.548 -6.569 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.812 -17.260 -6.772 1.00 0.00 C ATOM 457 CD1 ILE A 32 1.553 -20.154 -7.734 1.00 0.00 C ATOM 0 H ILE A 32 1.759 -20.150 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 32 3.457 -19.468 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 32 0.992 -18.109 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.558 -20.335 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.141 -19.139 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.853 -16.885 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.331 -16.470 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.418 -17.574 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.941 -20.927 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.775 -19.378 -8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.485 -20.594 -7.378 1.00 0.00 H new ATOM 469 N GLN A 33 3.586 -17.523 -3.517 1.00 0.00 N ATOM 470 CA GLN A 33 4.324 -16.436 -2.886 1.00 0.00 C ATOM 471 C GLN A 33 5.794 -16.805 -2.713 1.00 0.00 C ATOM 472 O GLN A 33 6.685 -16.034 -3.074 1.00 0.00 O ATOM 473 CB GLN A 33 3.709 -16.095 -1.528 1.00 0.00 C ATOM 474 CG GLN A 33 2.559 -15.104 -1.612 1.00 0.00 C ATOM 475 CD GLN A 33 3.019 -13.664 -1.492 1.00 0.00 C ATOM 476 OE1 GLN A 33 3.633 -13.118 -2.409 1.00 0.00 O ATOM 477 NE2 GLN A 33 2.724 -13.042 -0.356 1.00 0.00 N ATOM 0 H GLN A 33 2.939 -18.010 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 33 4.261 -15.563 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.353 -17.012 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.484 -15.685 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.038 -15.237 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.841 -15.319 -0.821 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.213 -13.534 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.008 -12.072 -0.217 1.00 0.00 H new ATOM 486 N LEU A 34 6.041 -17.987 -2.160 1.00 0.00 N ATOM 487 CA LEU A 34 7.404 -18.458 -1.939 1.00 0.00 C ATOM 488 C LEU A 34 8.186 -18.496 -3.248 1.00 0.00 C ATOM 489 O LEU A 34 9.164 -17.768 -3.419 1.00 0.00 O ATOM 490 CB LEU A 34 7.386 -19.849 -1.301 1.00 0.00 C ATOM 491 CG LEU A 34 6.477 -20.018 -0.084 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.945 -21.440 -0.008 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.223 -19.657 1.193 1.00 0.00 C ATOM 0 H LEU A 34 5.316 -18.637 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 34 7.898 -17.761 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.082 -20.571 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.404 -20.105 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 34 5.630 -19.340 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.300 -21.541 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.374 -21.663 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.779 -22.137 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.561 -19.783 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.089 -20.309 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.554 -18.620 1.140 1.00 0.00 H new ATOM 505 N SER A 35 7.747 -19.348 -4.169 1.00 0.00 N ATOM 506 CA SER A 35 8.407 -19.482 -5.462 1.00 0.00 C ATOM 507 C SER A 35 8.898 -18.128 -5.965 1.00 0.00 C ATOM 508 O SER A 35 9.878 -18.046 -6.705 1.00 0.00 O ATOM 509 CB SER A 35 7.452 -20.102 -6.484 1.00 0.00 C ATOM 510 OG SER A 35 8.166 -20.716 -7.543 1.00 0.00 O ATOM 0 H SER A 35 6.937 -19.956 -4.044 1.00 0.00 H new ATOM 0 HA SER A 35 9.269 -20.137 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.818 -20.840 -5.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.793 -19.332 -6.884 1.00 0.00 H new ATOM 0 HG SER A 35 7.533 -21.106 -8.182 1.00 0.00 H new ATOM 516 N ARG A 36 8.209 -17.067 -5.556 1.00 0.00 N ATOM 517 CA ARG A 36 8.573 -15.716 -5.965 1.00 0.00 C ATOM 518 C ARG A 36 9.649 -15.141 -5.048 1.00 0.00 C ATOM 519 O ARG A 36 10.600 -14.510 -5.509 1.00 0.00 O ATOM 520 CB ARG A 36 7.341 -14.808 -5.955 1.00 0.00 C ATOM 521 CG ARG A 36 6.300 -15.183 -6.997 1.00 0.00 C ATOM 522 CD ARG A 36 5.076 -14.285 -6.909 1.00 0.00 C ATOM 523 NE ARG A 36 5.207 -13.097 -7.748 1.00 0.00 N ATOM 524 CZ ARG A 36 5.146 -13.123 -9.074 1.00 0.00 C ATOM 525 NH1 ARG A 36 4.956 -14.272 -9.710 1.00 0.00 N ATOM 526 NH2 ARG A 36 5.274 -12.000 -9.769 1.00 0.00 N ATOM 0 H ARG A 36 7.396 -17.117 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 36 8.972 -15.765 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.883 -14.843 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.657 -13.779 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.737 -15.108 -7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.001 -16.222 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.192 -14.847 -7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.922 -13.982 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 36 5.353 -12.197 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.856 -15.138 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.909 -14.289 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.420 -11.114 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.227 -12.022 -10.788 1.00 0.00 H new ATOM 540 N LEU A 37 9.491 -15.364 -3.748 1.00 0.00 N ATOM 541 CA LEU A 37 10.449 -14.868 -2.765 1.00 0.00 C ATOM 542 C LEU A 37 11.832 -15.464 -3.005 1.00 0.00 C ATOM 543 O LEU A 37 12.850 -14.817 -2.756 1.00 0.00 O ATOM 544 CB LEU A 37 9.976 -15.203 -1.350 1.00 0.00 C ATOM 545 CG LEU A 37 8.843 -14.336 -0.798 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.191 -15.008 0.400 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.362 -12.956 -0.422 1.00 0.00 C ATOM 0 H LEU A 37 8.709 -15.885 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 37 10.516 -13.785 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.651 -16.243 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.828 -15.124 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 37 8.089 -14.219 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.388 -14.376 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.783 -15.973 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.935 -15.157 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.542 -12.353 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.136 -13.053 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.780 -12.472 -1.304 1.00 0.00 H new ATOM 559 N LYS A 38 11.863 -16.699 -3.492 1.00 0.00 N ATOM 560 CA LYS A 38 13.121 -17.382 -3.770 1.00 0.00 C ATOM 561 C LYS A 38 13.885 -16.681 -4.889 1.00 0.00 C ATOM 562 O LYS A 38 15.073 -16.389 -4.755 1.00 0.00 O ATOM 563 CB LYS A 38 12.860 -18.841 -4.153 1.00 0.00 C ATOM 564 CG LYS A 38 12.809 -19.782 -2.962 1.00 0.00 C ATOM 565 CD LYS A 38 12.875 -21.236 -3.397 1.00 0.00 C ATOM 566 CE LYS A 38 11.576 -21.682 -4.050 1.00 0.00 C ATOM 567 NZ LYS A 38 10.543 -22.044 -3.040 1.00 0.00 N ATOM 0 H LYS A 38 11.030 -17.249 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 38 13.728 -17.353 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.916 -18.902 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.642 -19.174 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.639 -19.564 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.890 -19.611 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.700 -21.370 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.084 -21.866 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.197 -20.883 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.769 -22.539 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.673 -22.343 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.894 -22.824 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.339 -21.219 -2.441 1.00 0.00 H new ATOM 581 N LYS A 39 13.195 -16.413 -5.992 1.00 0.00 N ATOM 582 CA LYS A 39 13.807 -15.743 -7.134 1.00 0.00 C ATOM 583 C LYS A 39 14.664 -14.567 -6.680 1.00 0.00 C ATOM 584 O LYS A 39 15.818 -14.431 -7.090 1.00 0.00 O ATOM 585 CB LYS A 39 12.728 -15.257 -8.105 1.00 0.00 C ATOM 586 CG LYS A 39 12.215 -16.341 -9.037 1.00 0.00 C ATOM 587 CD LYS A 39 10.765 -16.102 -9.424 1.00 0.00 C ATOM 588 CE LYS A 39 10.638 -14.979 -10.442 1.00 0.00 C ATOM 589 NZ LYS A 39 9.278 -14.371 -10.430 1.00 0.00 N ATOM 0 H LYS A 39 12.211 -16.649 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 39 14.449 -16.462 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.891 -14.855 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.130 -14.438 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.832 -16.372 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.308 -17.313 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.342 -17.018 -9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.186 -15.855 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.381 -14.211 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.854 -15.365 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.232 -13.610 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.570 -15.099 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.081 -13.980 -9.487 1.00 0.00 H new ATOM 603 N LEU A 40 14.095 -13.720 -5.829 1.00 0.00 N ATOM 604 CA LEU A 40 14.809 -12.555 -5.317 1.00 0.00 C ATOM 605 C LEU A 40 16.013 -12.978 -4.481 1.00 0.00 C ATOM 606 O LEU A 40 16.986 -12.235 -4.356 1.00 0.00 O ATOM 607 CB LEU A 40 13.871 -11.686 -4.477 1.00 0.00 C ATOM 608 CG LEU A 40 12.803 -10.911 -5.250 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.807 -10.276 -4.292 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.447 -9.851 -6.132 1.00 0.00 C ATOM 0 H LEU A 40 13.142 -13.818 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 40 15.166 -11.976 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.372 -12.325 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.474 -10.973 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 40 12.266 -11.610 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.054 -9.729 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.322 -11.054 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.330 -9.589 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.672 -9.309 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.010 -9.154 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.121 -10.329 -6.843 1.00 0.00 H new ATOM 622 N GLY A 41 15.941 -14.178 -3.913 1.00 0.00 N ATOM 623 CA GLY A 41 17.032 -14.680 -3.099 1.00 0.00 C ATOM 624 C GLY A 41 16.820 -14.418 -1.621 1.00 0.00 C ATOM 625 O GLY A 41 17.766 -14.463 -0.834 1.00 0.00 O ATOM 0 H GLY A 41 15.146 -14.811 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.140 -15.752 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.964 -14.213 -3.418 1.00 0.00 H new ATOM 629 N ILE A 42 15.577 -14.142 -1.243 1.00 0.00 N ATOM 630 CA ILE A 42 15.244 -13.871 0.151 1.00 0.00 C ATOM 631 C ILE A 42 15.368 -15.132 1.000 1.00 0.00 C ATOM 632 O ILE A 42 16.019 -15.127 2.045 1.00 0.00 O ATOM 633 CB ILE A 42 13.817 -13.309 0.290 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.671 -12.022 -0.523 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.488 -13.059 1.754 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.321 -11.358 -0.365 1.00 0.00 C ATOM 0 H ILE A 42 14.783 -14.100 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 42 15.955 -13.125 0.507 1.00 0.00 H new ATOM 0 HB ILE A 42 13.112 -14.043 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.449 -11.321 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 42 13.835 -12.247 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.476 -12.662 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.557 -13.996 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.195 -12.340 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.288 -10.452 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.538 -12.042 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.162 -11.102 0.682 1.00 0.00 H new ATOM 648 N HIS A 43 14.741 -16.211 0.543 1.00 0.00 N ATOM 649 CA HIS A 43 14.782 -17.480 1.260 1.00 0.00 C ATOM 650 C HIS A 43 14.145 -17.346 2.639 1.00 0.00 C ATOM 651 O HIS A 43 14.652 -17.883 3.624 1.00 0.00 O ATOM 652 CB HIS A 43 16.226 -17.965 1.397 1.00 0.00 C ATOM 653 CG HIS A 43 16.839 -18.396 0.100 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.344 -19.436 -0.658 1.00 0.00 N ATOM 655 CD2 HIS A 43 17.912 -17.918 -0.573 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.088 -19.581 -1.740 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.045 -18.672 -1.713 1.00 0.00 N ATOM 0 H HIS A 43 14.199 -16.232 -0.321 1.00 0.00 H new ATOM 0 HA HIS A 43 14.213 -18.212 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.830 -17.166 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.255 -18.799 2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.545 -17.097 -0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.939 -20.318 -2.515 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.766 -18.550 -2.424 1.00 0.00 H new ATOM 666 N LYS A 44 13.029 -16.627 2.703 1.00 0.00 N ATOM 667 CA LYS A 44 12.321 -16.422 3.961 1.00 0.00 C ATOM 668 C LYS A 44 10.848 -16.795 3.823 1.00 0.00 C ATOM 669 O LYS A 44 10.079 -16.095 3.164 1.00 0.00 O ATOM 670 CB LYS A 44 12.449 -14.965 4.411 1.00 0.00 C ATOM 671 CG LYS A 44 13.698 -14.689 5.231 1.00 0.00 C ATOM 672 CD LYS A 44 13.652 -13.312 5.870 1.00 0.00 C ATOM 673 CE LYS A 44 14.259 -12.255 4.960 1.00 0.00 C ATOM 674 NZ LYS A 44 15.713 -12.482 4.738 1.00 0.00 N ATOM 0 H LYS A 44 12.595 -16.176 1.897 1.00 0.00 H new ATOM 0 HA LYS A 44 12.773 -17.069 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.452 -14.321 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.572 -14.697 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.800 -15.448 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.578 -14.766 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.619 -13.049 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.191 -13.331 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.740 -12.260 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.108 -11.269 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.175 -11.578 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.137 -12.884 5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.844 -13.144 3.946 1.00 0.00 H new ATOM 688 N THR A 45 10.461 -17.902 4.450 1.00 0.00 N ATOM 689 CA THR A 45 9.081 -18.367 4.398 1.00 0.00 C ATOM 690 C THR A 45 8.288 -17.870 5.601 1.00 0.00 C ATOM 691 O THR A 45 7.344 -18.523 6.046 1.00 0.00 O ATOM 692 CB THR A 45 9.009 -19.905 4.348 1.00 0.00 C ATOM 693 OG1 THR A 45 9.594 -20.461 5.530 1.00 0.00 O ATOM 694 CG2 THR A 45 9.727 -20.441 3.119 1.00 0.00 C ATOM 0 H THR A 45 11.085 -18.493 5.000 1.00 0.00 H new ATOM 0 HA THR A 45 8.644 -17.961 3.486 1.00 0.00 H new ATOM 0 HB THR A 45 7.960 -20.196 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.543 -21.439 5.491 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.663 -21.529 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.260 -20.039 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.774 -20.140 3.149 1.00 0.00 H new ATOM 702 N ASP A 46 8.675 -16.712 6.122 1.00 0.00 N ATOM 703 CA ASP A 46 7.998 -16.127 7.273 1.00 0.00 C ATOM 704 C ASP A 46 7.782 -14.630 7.073 1.00 0.00 C ATOM 705 O ASP A 46 8.697 -13.887 6.717 1.00 0.00 O ATOM 706 CB ASP A 46 8.808 -16.372 8.547 1.00 0.00 C ATOM 707 CG ASP A 46 7.962 -16.265 9.801 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.898 -16.917 9.856 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.364 -15.531 10.727 1.00 0.00 O ATOM 0 H ASP A 46 9.455 -16.159 5.766 1.00 0.00 H new ATOM 0 HA ASP A 46 7.024 -16.606 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.261 -17.362 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.624 -15.651 8.600 1.00 0.00 H new ATOM 714 N PRO A 47 6.542 -14.174 7.306 1.00 0.00 N ATOM 715 CA PRO A 47 6.176 -12.763 7.157 1.00 0.00 C ATOM 716 C PRO A 47 6.806 -11.884 8.233 1.00 0.00 C ATOM 717 O PRO A 47 6.642 -10.664 8.226 1.00 0.00 O ATOM 718 CB PRO A 47 4.652 -12.774 7.301 1.00 0.00 C ATOM 719 CG PRO A 47 4.357 -13.989 8.111 1.00 0.00 C ATOM 720 CD PRO A 47 5.402 -15.003 7.733 1.00 0.00 C ATOM 0 HA PRO A 47 6.525 -12.349 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.295 -11.871 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.163 -12.818 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.397 -13.766 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.355 -14.364 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.664 -15.643 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.057 -15.656 6.931 1.00 0.00 H new ATOM 728 N SER A 48 7.528 -12.512 9.155 1.00 0.00 N ATOM 729 CA SER A 48 8.180 -11.787 10.240 1.00 0.00 C ATOM 730 C SER A 48 9.682 -11.680 9.995 1.00 0.00 C ATOM 731 O SER A 48 10.325 -10.718 10.417 1.00 0.00 O ATOM 732 CB SER A 48 7.918 -12.483 11.577 1.00 0.00 C ATOM 733 OG SER A 48 7.986 -11.563 12.653 1.00 0.00 O ATOM 0 H SER A 48 7.677 -13.521 9.173 1.00 0.00 H new ATOM 0 HA SER A 48 7.762 -10.781 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.935 -12.954 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.649 -13.277 11.727 1.00 0.00 H new ATOM 0 HG SER A 48 7.814 -12.032 13.496 1.00 0.00 H new ATOM 739 N THR A 49 10.237 -12.675 9.310 1.00 0.00 N ATOM 740 CA THR A 49 11.662 -12.695 9.009 1.00 0.00 C ATOM 741 C THR A 49 12.004 -11.708 7.898 1.00 0.00 C ATOM 742 O THR A 49 13.174 -11.404 7.662 1.00 0.00 O ATOM 743 CB THR A 49 12.129 -14.102 8.592 1.00 0.00 C ATOM 744 OG1 THR A 49 11.415 -14.530 7.427 1.00 0.00 O ATOM 745 CG2 THR A 49 11.914 -15.100 9.720 1.00 0.00 C ATOM 0 H THR A 49 9.720 -13.478 8.953 1.00 0.00 H new ATOM 0 HA THR A 49 12.181 -12.404 9.922 1.00 0.00 H new ATOM 0 HB THR A 49 13.195 -14.055 8.368 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.549 -14.073 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.251 -16.087 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.482 -14.787 10.596 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.854 -15.142 9.971 1.00 0.00 H new ATOM 753 N LEU A 50 10.976 -11.211 7.219 1.00 0.00 N ATOM 754 CA LEU A 50 11.167 -10.257 6.132 1.00 0.00 C ATOM 755 C LEU A 50 11.305 -8.837 6.672 1.00 0.00 C ATOM 756 O LEU A 50 10.523 -8.404 7.519 1.00 0.00 O ATOM 757 CB LEU A 50 9.996 -10.331 5.151 1.00 0.00 C ATOM 758 CG LEU A 50 10.148 -11.324 3.998 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.726 -12.718 4.436 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.334 -10.872 2.794 1.00 0.00 C ATOM 0 H LEU A 50 10.002 -11.453 7.402 1.00 0.00 H new ATOM 0 HA LEU A 50 12.087 -10.518 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.096 -10.588 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.837 -9.338 4.730 1.00 0.00 H new ATOM 0 HG LEU A 50 11.198 -11.358 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.841 -13.411 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.351 -13.043 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.683 -12.700 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.454 -11.590 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.281 -10.808 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.683 -9.893 2.466 1.00 0.00 H new ATOM 772 N THR A 51 12.304 -8.115 6.174 1.00 0.00 N ATOM 773 CA THR A 51 12.544 -6.743 6.605 1.00 0.00 C ATOM 774 C THR A 51 12.028 -5.745 5.575 1.00 0.00 C ATOM 775 O THR A 51 11.822 -6.091 4.412 1.00 0.00 O ATOM 776 CB THR A 51 14.042 -6.485 6.848 1.00 0.00 C ATOM 777 OG1 THR A 51 14.225 -5.208 7.470 1.00 0.00 O ATOM 778 CG2 THR A 51 14.819 -6.533 5.540 1.00 0.00 C ATOM 0 H THR A 51 12.960 -8.457 5.472 1.00 0.00 H new ATOM 0 HA THR A 51 12.003 -6.606 7.541 1.00 0.00 H new ATOM 0 HB THR A 51 14.420 -7.267 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.180 -5.052 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.875 -6.348 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.702 -7.516 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.437 -5.770 4.862 1.00 0.00 H new ATOM 786 N GLU A 52 11.821 -4.506 6.010 1.00 0.00 N ATOM 787 CA GLU A 52 11.329 -3.458 5.123 1.00 0.00 C ATOM 788 C GLU A 52 11.941 -3.590 3.732 1.00 0.00 C ATOM 789 O GLU A 52 11.259 -3.410 2.724 1.00 0.00 O ATOM 790 CB GLU A 52 11.647 -2.078 5.703 1.00 0.00 C ATOM 791 CG GLU A 52 10.782 -1.705 6.896 1.00 0.00 C ATOM 792 CD GLU A 52 10.902 -0.240 7.268 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.847 0.610 6.354 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.051 0.057 8.472 1.00 0.00 O ATOM 0 H GLU A 52 11.986 -4.204 6.970 1.00 0.00 H new ATOM 0 HA GLU A 52 10.248 -3.568 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.695 -2.052 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.519 -1.327 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.741 -1.935 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.066 -2.318 7.752 1.00 0.00 H new ATOM 801 N GLU A 53 13.232 -3.906 3.687 1.00 0.00 N ATOM 802 CA GLU A 53 13.936 -4.061 2.420 1.00 0.00 C ATOM 803 C GLU A 53 13.322 -5.185 1.590 1.00 0.00 C ATOM 804 O GLU A 53 13.013 -5.004 0.413 1.00 0.00 O ATOM 805 CB GLU A 53 15.419 -4.346 2.666 1.00 0.00 C ATOM 806 CG GLU A 53 16.229 -4.498 1.390 1.00 0.00 C ATOM 807 CD GLU A 53 17.724 -4.508 1.646 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.145 -4.023 2.718 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.473 -4.999 0.776 1.00 0.00 O ATOM 0 H GLU A 53 13.811 -4.059 4.513 1.00 0.00 H new ATOM 0 HA GLU A 53 13.840 -3.128 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.842 -3.536 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.512 -5.258 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.943 -5.424 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.986 -3.681 0.710 1.00 0.00 H new ATOM 816 N GLU A 54 13.148 -6.346 2.214 1.00 0.00 N ATOM 817 CA GLU A 54 12.572 -7.500 1.533 1.00 0.00 C ATOM 818 C GLU A 54 11.082 -7.294 1.279 1.00 0.00 C ATOM 819 O GLU A 54 10.514 -7.865 0.347 1.00 0.00 O ATOM 820 CB GLU A 54 12.789 -8.769 2.359 1.00 0.00 C ATOM 821 CG GLU A 54 14.250 -9.054 2.664 1.00 0.00 C ATOM 822 CD GLU A 54 15.024 -9.508 1.442 1.00 0.00 C ATOM 823 OE1 GLU A 54 14.870 -8.878 0.374 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.784 -10.493 1.553 1.00 0.00 O ATOM 0 H GLU A 54 13.397 -6.512 3.189 1.00 0.00 H new ATOM 0 HA GLU A 54 13.075 -7.610 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.241 -8.680 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.366 -9.618 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.714 -8.155 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.313 -9.822 3.435 1.00 0.00 H new ATOM 831 N VAL A 55 10.453 -6.474 2.115 1.00 0.00 N ATOM 832 CA VAL A 55 9.028 -6.192 1.982 1.00 0.00 C ATOM 833 C VAL A 55 8.757 -5.287 0.785 1.00 0.00 C ATOM 834 O VAL A 55 7.912 -5.592 -0.057 1.00 0.00 O ATOM 835 CB VAL A 55 8.467 -5.525 3.252 1.00 0.00 C ATOM 836 CG1 VAL A 55 7.011 -5.134 3.052 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.619 -6.451 4.450 1.00 0.00 C ATOM 0 H VAL A 55 10.907 -5.993 2.891 1.00 0.00 H new ATOM 0 HA VAL A 55 8.528 -7.149 1.832 1.00 0.00 H new ATOM 0 HB VAL A 55 9.038 -4.617 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.632 -4.664 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.933 -4.433 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.422 -6.024 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.218 -5.965 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.074 -7.377 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.674 -6.676 4.604 1.00 0.00 H new ATOM 847 N ARG A 56 9.479 -4.174 0.716 1.00 0.00 N ATOM 848 CA ARG A 56 9.316 -3.224 -0.378 1.00 0.00 C ATOM 849 C ARG A 56 9.602 -3.888 -1.722 1.00 0.00 C ATOM 850 O ARG A 56 8.879 -3.680 -2.697 1.00 0.00 O ATOM 851 CB ARG A 56 10.244 -2.024 -0.183 1.00 0.00 C ATOM 852 CG ARG A 56 11.720 -2.384 -0.212 1.00 0.00 C ATOM 853 CD ARG A 56 12.597 -1.142 -0.196 1.00 0.00 C ATOM 854 NE ARG A 56 13.991 -1.452 -0.503 1.00 0.00 N ATOM 855 CZ ARG A 56 15.013 -0.690 -0.130 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.798 0.421 0.561 1.00 0.00 N ATOM 857 NH2 ARG A 56 16.253 -1.039 -0.448 1.00 0.00 N ATOM 0 H ARG A 56 10.183 -3.908 1.405 1.00 0.00 H new ATOM 0 HA ARG A 56 8.282 -2.879 -0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.043 -1.289 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.013 -1.548 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.960 -3.011 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.935 -2.971 -1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.218 -0.421 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.538 -0.669 0.784 1.00 0.00 H new ATOM 0 HE ARG A 56 14.191 -2.300 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.846 0.692 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.585 1.004 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.422 -1.893 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.037 -0.453 -0.161 1.00 0.00 H new ATOM 871 N LYS A 57 10.662 -4.689 -1.767 1.00 0.00 N ATOM 872 CA LYS A 57 11.044 -5.385 -2.990 1.00 0.00 C ATOM 873 C LYS A 57 9.978 -6.397 -3.396 1.00 0.00 C ATOM 874 O LYS A 57 9.598 -6.478 -4.564 1.00 0.00 O ATOM 875 CB LYS A 57 12.388 -6.092 -2.799 1.00 0.00 C ATOM 876 CG LYS A 57 13.581 -5.153 -2.837 1.00 0.00 C ATOM 877 CD LYS A 57 14.827 -5.811 -2.269 1.00 0.00 C ATOM 878 CE LYS A 57 15.585 -6.584 -3.337 1.00 0.00 C ATOM 879 NZ LYS A 57 16.227 -5.676 -4.328 1.00 0.00 N ATOM 0 H LYS A 57 11.272 -4.872 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 57 11.139 -4.646 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.380 -6.617 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.506 -6.847 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.769 -4.843 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.354 -4.251 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.478 -5.050 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.547 -6.486 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.347 -7.203 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.901 -7.258 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.000 -6.178 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.521 -5.373 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.609 -4.842 -3.838 1.00 0.00 H new ATOM 893 N PHE A 58 9.497 -7.165 -2.424 1.00 0.00 N ATOM 894 CA PHE A 58 8.473 -8.172 -2.681 1.00 0.00 C ATOM 895 C PHE A 58 7.173 -7.520 -3.142 1.00 0.00 C ATOM 896 O PHE A 58 6.521 -7.998 -4.070 1.00 0.00 O ATOM 897 CB PHE A 58 8.221 -9.006 -1.424 1.00 0.00 C ATOM 898 CG PHE A 58 7.533 -10.312 -1.699 1.00 0.00 C ATOM 899 CD1 PHE A 58 8.036 -11.190 -2.646 1.00 0.00 C ATOM 900 CD2 PHE A 58 6.382 -10.662 -1.012 1.00 0.00 C ATOM 901 CE1 PHE A 58 7.405 -12.393 -2.901 1.00 0.00 C ATOM 902 CE2 PHE A 58 5.747 -11.864 -1.262 1.00 0.00 C ATOM 903 CZ PHE A 58 6.259 -12.730 -2.209 1.00 0.00 C ATOM 0 H PHE A 58 9.799 -7.110 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 58 8.833 -8.826 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.173 -9.203 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.616 -8.425 -0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.932 -10.931 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.976 -9.988 -0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.808 -13.069 -3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.852 -12.126 -0.718 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.764 -13.669 -2.408 1.00 0.00 H new ATOM 913 N ALA A 59 6.802 -6.425 -2.486 1.00 0.00 N ATOM 914 CA ALA A 59 5.581 -5.706 -2.829 1.00 0.00 C ATOM 915 C ALA A 59 5.687 -5.071 -4.211 1.00 0.00 C ATOM 916 O ALA A 59 4.720 -5.052 -4.972 1.00 0.00 O ATOM 917 CB ALA A 59 5.282 -4.645 -1.780 1.00 0.00 C ATOM 0 H ALA A 59 7.329 -6.017 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 59 4.760 -6.423 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.368 -4.116 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.154 -5.121 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.110 -3.938 -1.732 1.00 0.00 H new ATOM 923 N ARG A 60 6.868 -4.551 -4.529 1.00 0.00 N ATOM 924 CA ARG A 60 7.100 -3.913 -5.819 1.00 0.00 C ATOM 925 C ARG A 60 6.428 -4.697 -6.942 1.00 0.00 C ATOM 926 O ARG A 60 5.711 -4.129 -7.768 1.00 0.00 O ATOM 927 CB ARG A 60 8.601 -3.795 -6.092 1.00 0.00 C ATOM 928 CG ARG A 60 9.249 -2.595 -5.423 1.00 0.00 C ATOM 929 CD ARG A 60 9.163 -1.355 -6.299 1.00 0.00 C ATOM 930 NE ARG A 60 10.085 -0.310 -5.861 1.00 0.00 N ATOM 931 CZ ARG A 60 10.246 0.843 -6.500 1.00 0.00 C ATOM 932 NH1 ARG A 60 9.549 1.099 -7.599 1.00 0.00 N ATOM 933 NH2 ARG A 60 11.105 1.744 -6.040 1.00 0.00 N ATOM 0 H ARG A 60 7.679 -4.559 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 60 6.665 -2.914 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.097 -4.703 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.762 -3.731 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.760 -2.402 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.294 -2.818 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.385 -1.625 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.144 -0.969 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 60 10.635 -0.475 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.887 0.409 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.675 1.985 -8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.642 1.551 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.228 2.629 -6.532 1.00 0.00 H new ATOM 947 N LEU A 61 6.663 -6.004 -6.966 1.00 0.00 N ATOM 948 CA LEU A 61 6.081 -6.867 -7.988 1.00 0.00 C ATOM 949 C LEU A 61 4.653 -6.441 -8.312 1.00 0.00 C ATOM 950 O LEU A 61 4.274 -6.339 -9.478 1.00 0.00 O ATOM 951 CB LEU A 61 6.096 -8.324 -7.522 1.00 0.00 C ATOM 952 CG LEU A 61 7.477 -8.946 -7.310 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.354 -10.294 -6.616 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.206 -9.092 -8.638 1.00 0.00 C ATOM 0 H LEU A 61 7.252 -6.489 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 61 6.683 -6.774 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.542 -8.391 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.558 -8.925 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 61 8.059 -8.283 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.346 -10.722 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.873 -10.162 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.754 -10.966 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.187 -9.536 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.627 -9.734 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.327 -8.111 -9.097 1.00 0.00 H new ATOM 966 N ASN A 62 3.865 -6.190 -7.272 1.00 0.00 N ATOM 967 CA ASN A 62 2.478 -5.772 -7.446 1.00 0.00 C ATOM 968 C ASN A 62 2.373 -4.252 -7.516 1.00 0.00 C ATOM 969 O ASN A 62 2.517 -3.562 -6.506 1.00 0.00 O ATOM 970 CB ASN A 62 1.616 -6.302 -6.298 1.00 0.00 C ATOM 971 CG ASN A 62 0.137 -6.282 -6.629 1.00 0.00 C ATOM 972 OD1 ASN A 62 -0.268 -6.644 -7.734 1.00 0.00 O ATOM 973 ND2 ASN A 62 -0.679 -5.857 -5.671 1.00 0.00 N ATOM 0 H ASN A 62 4.163 -6.269 -6.300 1.00 0.00 H new ATOM 0 HA ASN A 62 2.114 -6.187 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.919 -7.322 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.794 -5.701 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.685 -5.821 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.300 -5.566 -4.770 1.00 0.00 H new ATOM 980 N ILE A 63 2.121 -3.736 -8.714 1.00 0.00 N ATOM 981 CA ILE A 63 1.994 -2.298 -8.916 1.00 0.00 C ATOM 982 C ILE A 63 0.534 -1.892 -9.079 1.00 0.00 C ATOM 983 O ILE A 63 -0.163 -2.385 -9.967 1.00 0.00 O ATOM 984 CB ILE A 63 2.787 -1.831 -10.151 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.275 -2.140 -9.976 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.573 -0.343 -10.386 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.076 -1.998 -11.252 1.00 0.00 C ATOM 0 H ILE A 63 2.001 -4.293 -9.560 1.00 0.00 H new ATOM 0 HA ILE A 63 2.404 -1.817 -8.028 1.00 0.00 H new ATOM 0 HB ILE A 63 2.423 -2.373 -11.024 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.690 -1.473 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.385 -3.157 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.140 -0.028 -11.262 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.513 -0.149 -10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.913 0.216 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.122 -2.232 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.687 -2.684 -12.004 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.997 -0.975 -11.619 1.00 0.00 H new ATOM 999 N ASP A 64 0.077 -0.989 -8.219 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.301 -0.514 -8.269 1.00 0.00 C ATOM 1001 C ASP A 64 -1.525 0.376 -9.488 1.00 0.00 C ATOM 1002 O ASP A 64 -0.601 1.002 -10.007 1.00 0.00 O ATOM 1003 CB ASP A 64 -1.645 0.254 -6.991 1.00 0.00 C ATOM 1004 CG ASP A 64 -2.075 -0.663 -5.863 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -1.276 -1.542 -5.476 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -3.209 -0.501 -5.367 1.00 0.00 O ATOM 0 H ASP A 64 0.640 -0.571 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.956 -1.382 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.778 0.833 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.444 0.965 -7.202 1.00 0.00 H new ATOM 1011 N PRO A 65 -2.780 0.433 -9.957 1.00 0.00 N ATOM 1012 CA PRO A 65 -3.154 1.243 -11.120 1.00 0.00 C ATOM 1013 C PRO A 65 -3.090 2.738 -10.830 1.00 0.00 C ATOM 1014 O PRO A 65 -3.257 3.562 -11.730 1.00 0.00 O ATOM 1015 CB PRO A 65 -4.597 0.814 -11.401 1.00 0.00 C ATOM 1016 CG PRO A 65 -5.110 0.327 -10.090 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.931 -0.288 -9.387 1.00 0.00 C ATOM 0 HA PRO A 65 -2.477 1.088 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.192 1.647 -11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.637 0.030 -12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.529 1.147 -9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.906 -0.404 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.993 -0.156 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.866 -1.360 -9.574 1.00 0.00 H new ATOM 1025 N ALA A 66 -2.847 3.082 -9.570 1.00 0.00 N ATOM 1026 CA ALA A 66 -2.758 4.479 -9.163 1.00 0.00 C ATOM 1027 C ALA A 66 -1.317 4.869 -8.851 1.00 0.00 C ATOM 1028 O ALA A 66 -0.994 6.052 -8.734 1.00 0.00 O ATOM 1029 CB ALA A 66 -3.650 4.735 -7.957 1.00 0.00 C ATOM 0 H ALA A 66 -2.708 2.412 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.102 5.097 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.574 5.782 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.684 4.504 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.332 4.102 -7.128 1.00 0.00 H new ATOM 1035 N THR A 67 -0.454 3.868 -8.715 1.00 0.00 N ATOM 1036 CA THR A 67 0.952 4.106 -8.414 1.00 0.00 C ATOM 1037 C THR A 67 1.839 3.727 -9.594 1.00 0.00 C ATOM 1038 O THR A 67 3.066 3.758 -9.495 1.00 0.00 O ATOM 1039 CB THR A 67 1.403 3.313 -7.172 1.00 0.00 C ATOM 1040 OG1 THR A 67 2.518 3.965 -6.554 1.00 0.00 O ATOM 1041 CG2 THR A 67 1.786 1.890 -7.549 1.00 0.00 C ATOM 0 H THR A 67 -0.704 2.884 -8.809 1.00 0.00 H new ATOM 0 HA THR A 67 1.056 5.172 -8.213 1.00 0.00 H new ATOM 0 HB THR A 67 0.570 3.274 -6.470 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.188 4.184 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.101 1.349 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.927 1.388 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.605 1.912 -8.268 1.00 0.00 H new ATOM 1049 N ILE A 68 1.211 3.372 -10.710 1.00 0.00 N ATOM 1050 CA ILE A 68 1.945 2.989 -11.910 1.00 0.00 C ATOM 1051 C ILE A 68 3.240 3.783 -12.039 1.00 0.00 C ATOM 1052 O ILE A 68 3.232 4.942 -12.458 1.00 0.00 O ATOM 1053 CB ILE A 68 1.097 3.199 -13.179 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -0.170 2.345 -13.120 1.00 0.00 C ATOM 1055 CG2 ILE A 68 1.911 2.865 -14.420 1.00 0.00 C ATOM 1056 CD1 ILE A 68 -1.343 2.951 -13.858 1.00 0.00 C ATOM 0 H ILE A 68 0.196 3.342 -10.808 1.00 0.00 H new ATOM 0 HA ILE A 68 2.181 1.929 -11.812 1.00 0.00 H new ATOM 0 HB ILE A 68 0.803 4.247 -13.232 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.044 1.362 -13.540 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.447 2.192 -12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.299 3.018 -15.309 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.786 3.513 -14.466 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.232 1.824 -14.375 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.206 2.291 -13.773 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.584 3.921 -13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.085 3.078 -14.909 1.00 0.00 H new ATOM 1068 N THR A 69 4.353 3.153 -11.679 1.00 0.00 N ATOM 1069 CA THR A 69 5.657 3.799 -11.755 1.00 0.00 C ATOM 1070 C THR A 69 6.496 3.214 -12.885 1.00 0.00 C ATOM 1071 O THR A 69 7.726 3.210 -12.820 1.00 0.00 O ATOM 1072 CB THR A 69 6.431 3.661 -10.431 1.00 0.00 C ATOM 1073 OG1 THR A 69 7.606 4.479 -10.462 1.00 0.00 O ATOM 1074 CG2 THR A 69 6.822 2.212 -10.181 1.00 0.00 C ATOM 0 H THR A 69 4.377 2.194 -11.331 1.00 0.00 H new ATOM 0 HA THR A 69 5.475 4.855 -11.952 1.00 0.00 H new ATOM 0 HB THR A 69 5.781 3.991 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.125 4.275 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.368 2.140 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.924 1.597 -10.128 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.455 1.860 -10.996 1.00 0.00 H new ATOM 1082 N TRP A 70 5.825 2.720 -13.919 1.00 0.00 N ATOM 1083 CA TRP A 70 6.511 2.131 -15.064 1.00 0.00 C ATOM 1084 C TRP A 70 6.146 2.863 -16.351 1.00 0.00 C ATOM 1085 O TRP A 70 6.143 2.272 -17.431 1.00 0.00 O ATOM 1086 CB TRP A 70 6.159 0.648 -15.188 1.00 0.00 C ATOM 1087 CG TRP A 70 4.765 0.408 -15.683 1.00 0.00 C ATOM 1088 CD1 TRP A 70 3.618 0.428 -14.942 1.00 0.00 C ATOM 1089 CD2 TRP A 70 4.372 0.109 -17.027 1.00 0.00 C ATOM 1090 NE1 TRP A 70 2.535 0.160 -15.744 1.00 0.00 N ATOM 1091 CE2 TRP A 70 2.971 -0.039 -17.028 1.00 0.00 C ATOM 1092 CE3 TRP A 70 5.066 -0.046 -18.229 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 2.255 -0.335 -18.184 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 4.354 -0.340 -19.376 1.00 0.00 C ATOM 1095 CH2 TRP A 70 2.960 -0.481 -19.348 1.00 0.00 C ATOM 0 H TRP A 70 4.807 2.715 -13.989 1.00 0.00 H new ATOM 0 HA TRP A 70 7.585 2.229 -14.904 1.00 0.00 H new ATOM 0 HB2 TRP A 70 6.865 0.170 -15.867 1.00 0.00 H new ATOM 0 HB3 TRP A 70 6.279 0.171 -14.215 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.569 0.625 -13.881 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.564 0.116 -15.434 1.00 0.00 H new ATOM 0 HE3 TRP A 70 6.140 0.062 -18.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.181 -0.446 -18.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 4.881 -0.463 -20.311 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.432 -0.709 -20.262 1.00 0.00 H new ATOM 1106 N GLN A 71 5.840 4.150 -16.229 1.00 0.00 N ATOM 1107 CA GLN A 71 5.473 4.960 -17.385 1.00 0.00 C ATOM 1108 C GLN A 71 6.684 5.712 -17.929 1.00 0.00 C ATOM 1109 O GLN A 71 6.636 6.280 -19.020 1.00 0.00 O ATOM 1110 CB GLN A 71 4.370 5.951 -17.010 1.00 0.00 C ATOM 1111 CG GLN A 71 3.647 6.539 -18.210 1.00 0.00 C ATOM 1112 CD GLN A 71 4.355 7.751 -18.783 1.00 0.00 C ATOM 1113 OE1 GLN A 71 5.074 8.456 -18.074 1.00 0.00 O ATOM 1114 NE2 GLN A 71 4.156 8.000 -20.072 1.00 0.00 N ATOM 0 H GLN A 71 5.839 4.654 -15.342 1.00 0.00 H new ATOM 0 HA GLN A 71 5.103 4.292 -18.163 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.645 5.449 -16.369 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.805 6.762 -16.425 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.556 5.777 -18.984 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.635 6.819 -17.918 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.552 7.389 -20.622 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.607 8.802 -20.512 1.00 0.00 H new TER 1123 GLN A 71