USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot -72:sc= 1.2 USER MOD Set 1.2: A 24 GLN : amide:sc= 0.74 X(o=1.9,f=1.6) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0476 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.317) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 77:sc= -1.53! USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.557) USER MOD Single : A 35 SER OG : rot 34:sc= 0.749 USER MOD Single : A 36 SER OG : rot 90:sc= 0.597 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 40 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.21) USER MOD Single : A 50 THR OG1 : rot -88:sc= 0.605 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00161 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= -0.173 (180deg=-0.74) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.048 -33.985 2.399 1.00 0.00 N ATOM 2 CA GLY A 1 10.554 -32.792 3.061 1.00 0.00 C ATOM 3 C GLY A 1 9.120 -32.472 2.685 1.00 0.00 C ATOM 4 O GLY A 1 8.377 -33.348 2.242 1.00 0.00 O ATOM 0 H1 GLY A 1 11.463 -34.627 3.104 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.262 -34.464 1.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.774 -33.720 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.622 -32.925 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.191 -31.946 2.803 1.00 0.00 H new ATOM 8 N SER A 2 8.730 -31.214 2.864 1.00 0.00 N ATOM 9 CA SER A 2 7.374 -30.782 2.546 1.00 0.00 C ATOM 10 C SER A 2 7.204 -30.590 1.042 1.00 0.00 C ATOM 11 O SER A 2 8.036 -29.961 0.387 1.00 0.00 O ATOM 12 CB SER A 2 7.046 -29.480 3.279 1.00 0.00 C ATOM 13 OG SER A 2 5.780 -28.978 2.885 1.00 0.00 O ATOM 0 H SER A 2 9.334 -30.476 3.227 1.00 0.00 H new ATOM 0 HA SER A 2 6.684 -31.559 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.053 -29.653 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.816 -28.737 3.070 1.00 0.00 H new ATOM 0 HG SER A 2 5.593 -28.147 3.369 1.00 0.00 H new ATOM 19 N SER A 3 6.121 -31.139 0.501 1.00 0.00 N ATOM 20 CA SER A 3 5.842 -31.031 -0.927 1.00 0.00 C ATOM 21 C SER A 3 4.580 -30.210 -1.174 1.00 0.00 C ATOM 22 O SER A 3 3.535 -30.460 -0.574 1.00 0.00 O ATOM 23 CB SER A 3 5.688 -32.424 -1.542 1.00 0.00 C ATOM 24 OG SER A 3 6.949 -32.994 -1.837 1.00 0.00 O ATOM 0 H SER A 3 5.423 -31.663 1.029 1.00 0.00 H new ATOM 0 HA SER A 3 6.682 -30.522 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.146 -33.071 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.093 -32.359 -2.453 1.00 0.00 H new ATOM 0 HG SER A 3 6.822 -33.884 -2.227 1.00 0.00 H new ATOM 30 N GLY A 4 4.686 -29.228 -2.063 1.00 0.00 N ATOM 31 CA GLY A 4 3.548 -28.383 -2.375 1.00 0.00 C ATOM 32 C GLY A 4 3.741 -27.600 -3.657 1.00 0.00 C ATOM 33 O GLY A 4 4.787 -26.982 -3.864 1.00 0.00 O ATOM 0 H GLY A 4 5.540 -29.002 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.654 -29.001 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.378 -27.689 -1.552 1.00 0.00 H new ATOM 37 N SER A 5 2.733 -27.624 -4.522 1.00 0.00 N ATOM 38 CA SER A 5 2.799 -26.914 -5.795 1.00 0.00 C ATOM 39 C SER A 5 1.773 -25.786 -5.841 1.00 0.00 C ATOM 40 O SER A 5 0.746 -25.836 -5.163 1.00 0.00 O ATOM 41 CB SER A 5 2.563 -27.881 -6.956 1.00 0.00 C ATOM 42 OG SER A 5 3.762 -28.540 -7.323 1.00 0.00 O ATOM 0 H SER A 5 1.860 -28.128 -4.365 1.00 0.00 H new ATOM 0 HA SER A 5 3.795 -26.481 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.812 -28.618 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.167 -27.336 -7.813 1.00 0.00 H new ATOM 0 HG SER A 5 3.584 -29.154 -8.066 1.00 0.00 H new ATOM 48 N SER A 6 2.059 -24.768 -6.647 1.00 0.00 N ATOM 49 CA SER A 6 1.164 -23.624 -6.781 1.00 0.00 C ATOM 50 C SER A 6 0.547 -23.578 -8.175 1.00 0.00 C ATOM 51 O SER A 6 1.222 -23.817 -9.175 1.00 0.00 O ATOM 52 CB SER A 6 1.919 -22.324 -6.501 1.00 0.00 C ATOM 53 OG SER A 6 3.001 -22.159 -7.400 1.00 0.00 O ATOM 0 H SER A 6 2.903 -24.712 -7.217 1.00 0.00 H new ATOM 0 HA SER A 6 0.362 -23.734 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.237 -21.478 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.291 -22.329 -5.476 1.00 0.00 H new ATOM 0 HG SER A 6 3.466 -21.320 -7.201 1.00 0.00 H new ATOM 59 N GLY A 7 -0.745 -23.268 -8.234 1.00 0.00 N ATOM 60 CA GLY A 7 -1.435 -23.195 -9.509 1.00 0.00 C ATOM 61 C GLY A 7 -2.924 -22.958 -9.351 1.00 0.00 C ATOM 62 O GLY A 7 -3.691 -23.898 -9.153 1.00 0.00 O ATOM 0 H GLY A 7 -1.326 -23.066 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.004 -22.391 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.274 -24.122 -10.059 1.00 0.00 H new ATOM 66 N ALA A 8 -3.332 -21.697 -9.438 1.00 0.00 N ATOM 67 CA ALA A 8 -4.739 -21.338 -9.304 1.00 0.00 C ATOM 68 C ALA A 8 -5.287 -20.767 -10.606 1.00 0.00 C ATOM 69 O ALA A 8 -4.528 -20.427 -11.514 1.00 0.00 O ATOM 70 CB ALA A 8 -4.924 -20.342 -8.169 1.00 0.00 C ATOM 0 H ALA A 8 -2.709 -20.906 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.299 -22.244 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.979 -20.083 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.580 -20.787 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.346 -19.442 -8.377 1.00 0.00 H new ATOM 76 N TYR A 9 -6.608 -20.665 -10.694 1.00 0.00 N ATOM 77 CA TYR A 9 -7.257 -20.136 -11.889 1.00 0.00 C ATOM 78 C TYR A 9 -7.623 -18.669 -11.705 1.00 0.00 C ATOM 79 O TYR A 9 -8.072 -18.241 -10.640 1.00 0.00 O ATOM 80 CB TYR A 9 -8.511 -20.951 -12.213 1.00 0.00 C ATOM 81 CG TYR A 9 -8.258 -22.438 -12.320 1.00 0.00 C ATOM 82 CD1 TYR A 9 -7.451 -22.956 -13.324 1.00 0.00 C ATOM 83 CD2 TYR A 9 -8.826 -23.324 -11.411 1.00 0.00 C ATOM 84 CE1 TYR A 9 -7.220 -24.315 -13.424 1.00 0.00 C ATOM 85 CE2 TYR A 9 -8.596 -24.684 -11.502 1.00 0.00 C ATOM 86 CZ TYR A 9 -7.794 -25.173 -12.511 1.00 0.00 C ATOM 87 OH TYR A 9 -7.563 -26.527 -12.606 1.00 0.00 O ATOM 0 H TYR A 9 -7.251 -20.942 -9.952 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.555 -20.214 -12.720 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.259 -20.773 -11.440 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.933 -20.594 -13.153 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.996 -22.286 -14.039 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.457 -22.943 -10.621 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.593 -24.702 -14.213 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.042 -25.359 -10.787 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.039 -26.991 -11.886 1.00 0.00 H new ATOM 97 N PRO A 10 -7.429 -17.873 -12.768 1.00 0.00 N ATOM 98 CA PRO A 10 -7.733 -16.440 -12.751 1.00 0.00 C ATOM 99 C PRO A 10 -9.232 -16.165 -12.698 1.00 0.00 C ATOM 100 O PRO A 10 -10.018 -16.831 -13.372 1.00 0.00 O ATOM 101 CB PRO A 10 -7.144 -15.937 -14.072 1.00 0.00 C ATOM 102 CG PRO A 10 -7.139 -17.130 -14.963 1.00 0.00 C ATOM 103 CD PRO A 10 -6.897 -18.314 -14.069 1.00 0.00 C ATOM 0 HA PRO A 10 -7.323 -15.947 -11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.746 -15.131 -14.492 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.137 -15.543 -13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.088 -17.227 -15.491 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.360 -17.048 -15.721 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.411 -19.204 -14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.837 -18.561 -14.007 1.00 0.00 H new ATOM 111 N ASP A 11 -9.620 -15.183 -11.893 1.00 0.00 N ATOM 112 CA ASP A 11 -11.025 -14.820 -11.754 1.00 0.00 C ATOM 113 C ASP A 11 -11.343 -13.559 -12.552 1.00 0.00 C ATOM 114 O ASP A 11 -10.728 -12.511 -12.350 1.00 0.00 O ATOM 115 CB ASP A 11 -11.376 -14.606 -10.281 1.00 0.00 C ATOM 116 CG ASP A 11 -10.797 -15.685 -9.386 1.00 0.00 C ATOM 117 OD1 ASP A 11 -11.257 -16.842 -9.477 1.00 0.00 O ATOM 118 OD2 ASP A 11 -9.881 -15.372 -8.596 1.00 0.00 O ATOM 0 H ASP A 11 -8.982 -14.624 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.626 -15.640 -12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.005 -13.633 -9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.460 -14.587 -10.168 1.00 0.00 H new ATOM 123 N PHE A 12 -12.307 -13.666 -13.460 1.00 0.00 N ATOM 124 CA PHE A 12 -12.705 -12.537 -14.292 1.00 0.00 C ATOM 125 C PHE A 12 -13.586 -11.569 -13.507 1.00 0.00 C ATOM 126 O PHE A 12 -14.666 -11.934 -13.042 1.00 0.00 O ATOM 127 CB PHE A 12 -13.449 -13.026 -15.536 1.00 0.00 C ATOM 128 CG PHE A 12 -12.662 -14.010 -16.355 1.00 0.00 C ATOM 129 CD1 PHE A 12 -11.747 -13.569 -17.299 1.00 0.00 C ATOM 130 CD2 PHE A 12 -12.836 -15.372 -16.183 1.00 0.00 C ATOM 131 CE1 PHE A 12 -11.023 -14.470 -18.055 1.00 0.00 C ATOM 132 CE2 PHE A 12 -12.114 -16.279 -16.936 1.00 0.00 C ATOM 133 CZ PHE A 12 -11.206 -15.827 -17.872 1.00 0.00 C ATOM 0 H PHE A 12 -12.828 -14.525 -13.638 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.802 -12.012 -14.603 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -14.388 -13.488 -15.230 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.704 -12.168 -16.158 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.599 -12.509 -17.445 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.545 -15.731 -15.451 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.315 -14.114 -18.788 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.260 -17.339 -16.792 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.639 -16.533 -18.461 1.00 0.00 H new ATOM 143 N ALA A 13 -13.118 -10.333 -13.364 1.00 0.00 N ATOM 144 CA ALA A 13 -13.862 -9.313 -12.638 1.00 0.00 C ATOM 145 C ALA A 13 -13.601 -7.925 -13.216 1.00 0.00 C ATOM 146 O ALA A 13 -12.556 -7.665 -13.814 1.00 0.00 O ATOM 147 CB ALA A 13 -13.503 -9.348 -11.160 1.00 0.00 C ATOM 0 H ALA A 13 -12.226 -10.015 -13.742 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.925 -9.529 -12.747 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.067 -8.580 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.749 -10.327 -10.749 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.436 -9.162 -11.040 1.00 0.00 H new ATOM 153 N PRO A 14 -14.568 -7.015 -13.035 1.00 0.00 N ATOM 154 CA PRO A 14 -14.463 -5.640 -13.531 1.00 0.00 C ATOM 155 C PRO A 14 -13.421 -4.827 -12.770 1.00 0.00 C ATOM 156 O PRO A 14 -12.703 -5.359 -11.926 1.00 0.00 O ATOM 157 CB PRO A 14 -15.864 -5.070 -13.292 1.00 0.00 C ATOM 158 CG PRO A 14 -16.417 -5.879 -12.171 1.00 0.00 C ATOM 159 CD PRO A 14 -15.838 -7.258 -12.331 1.00 0.00 C ATOM 0 HA PRO A 14 -14.145 -5.605 -14.573 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.822 -4.012 -13.033 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.484 -5.155 -14.185 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.142 -5.450 -11.207 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.506 -5.906 -12.209 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.677 -7.741 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.498 -7.907 -12.906 1.00 0.00 H new ATOM 167 N GLN A 15 -13.346 -3.536 -13.078 1.00 0.00 N ATOM 168 CA GLN A 15 -12.390 -2.650 -12.423 1.00 0.00 C ATOM 169 C GLN A 15 -13.109 -1.527 -11.683 1.00 0.00 C ATOM 170 O GLN A 15 -13.870 -0.764 -12.276 1.00 0.00 O ATOM 171 CB GLN A 15 -11.421 -2.063 -13.450 1.00 0.00 C ATOM 172 CG GLN A 15 -12.113 -1.419 -14.641 1.00 0.00 C ATOM 173 CD GLN A 15 -11.160 -0.621 -15.510 1.00 0.00 C ATOM 174 OE1 GLN A 15 -9.941 -0.713 -15.360 1.00 0.00 O ATOM 175 NE2 GLN A 15 -11.711 0.166 -16.426 1.00 0.00 N ATOM 0 H GLN A 15 -13.935 -3.081 -13.776 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.827 -3.236 -11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.792 -1.320 -12.960 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.761 -2.853 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.586 -2.194 -15.244 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.908 -0.764 -14.284 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.726 0.211 -16.515 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.119 0.725 -17.040 1.00 0.00 H new ATOM 184 N LYS A 16 -12.861 -1.431 -10.381 1.00 0.00 N ATOM 185 CA LYS A 16 -13.481 -0.400 -9.557 1.00 0.00 C ATOM 186 C LYS A 16 -12.567 0.001 -8.405 1.00 0.00 C ATOM 187 O LYS A 16 -11.763 -0.801 -7.928 1.00 0.00 O ATOM 188 CB LYS A 16 -14.822 -0.897 -9.008 1.00 0.00 C ATOM 189 CG LYS A 16 -15.838 -1.223 -10.090 1.00 0.00 C ATOM 190 CD LYS A 16 -16.526 0.031 -10.605 1.00 0.00 C ATOM 191 CE LYS A 16 -17.689 -0.311 -11.523 1.00 0.00 C ATOM 192 NZ LYS A 16 -18.942 -0.565 -10.760 1.00 0.00 N ATOM 0 H LYS A 16 -12.234 -2.055 -9.873 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.651 0.476 -10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.650 -1.787 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.239 -0.137 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.341 -1.732 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.584 -1.912 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.887 0.622 -9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.806 0.648 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.851 0.507 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.438 -1.192 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.711 -0.795 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.796 -1.362 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.196 0.284 -10.216 1.00 0.00 H new ATOM 206 N PHE A 17 -12.695 1.246 -7.958 1.00 0.00 N ATOM 207 CA PHE A 17 -11.879 1.753 -6.862 1.00 0.00 C ATOM 208 C PHE A 17 -12.454 1.326 -5.515 1.00 0.00 C ATOM 209 O PHE A 17 -13.669 1.235 -5.345 1.00 0.00 O ATOM 210 CB PHE A 17 -11.789 3.280 -6.929 1.00 0.00 C ATOM 211 CG PHE A 17 -11.089 3.891 -5.748 1.00 0.00 C ATOM 212 CD1 PHE A 17 -9.728 3.710 -5.565 1.00 0.00 C ATOM 213 CD2 PHE A 17 -11.793 4.645 -4.824 1.00 0.00 C ATOM 214 CE1 PHE A 17 -9.080 4.272 -4.480 1.00 0.00 C ATOM 215 CE2 PHE A 17 -11.149 5.209 -3.739 1.00 0.00 C ATOM 216 CZ PHE A 17 -9.793 5.021 -3.565 1.00 0.00 C ATOM 0 H PHE A 17 -13.357 1.922 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.879 1.332 -6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.264 3.566 -7.840 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.795 3.693 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.167 3.124 -6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.855 4.794 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.018 4.125 -4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.708 5.798 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.291 5.459 -2.715 1.00 0.00 H new ATOM 226 N LYS A 18 -11.569 1.062 -4.558 1.00 0.00 N ATOM 227 CA LYS A 18 -11.985 0.644 -3.224 1.00 0.00 C ATOM 228 C LYS A 18 -11.055 1.216 -2.160 1.00 0.00 C ATOM 229 O LYS A 18 -9.939 0.733 -1.974 1.00 0.00 O ATOM 230 CB LYS A 18 -12.007 -0.884 -3.131 1.00 0.00 C ATOM 231 CG LYS A 18 -13.079 -1.532 -3.988 1.00 0.00 C ATOM 232 CD LYS A 18 -12.577 -1.811 -5.394 1.00 0.00 C ATOM 233 CE LYS A 18 -12.015 -3.219 -5.516 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.551 -3.258 -5.245 1.00 0.00 N ATOM 0 H LYS A 18 -10.559 1.130 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.990 1.028 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.033 -1.271 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.161 -1.174 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.402 -2.464 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.951 -0.880 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.393 -1.681 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.806 -1.086 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.531 -3.878 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.209 -3.602 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.157 -4.155 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.087 -2.464 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.385 -3.183 -4.221 1.00 0.00 H new ATOM 248 N GLU A 19 -11.524 2.247 -1.465 1.00 0.00 N ATOM 249 CA GLU A 19 -10.733 2.886 -0.418 1.00 0.00 C ATOM 250 C GLU A 19 -10.372 1.886 0.677 1.00 0.00 C ATOM 251 O GLU A 19 -11.042 0.867 0.849 1.00 0.00 O ATOM 252 CB GLU A 19 -11.500 4.064 0.185 1.00 0.00 C ATOM 253 CG GLU A 19 -10.761 4.755 1.317 1.00 0.00 C ATOM 254 CD GLU A 19 -11.537 5.922 1.895 1.00 0.00 C ATOM 255 OE1 GLU A 19 -11.375 7.053 1.388 1.00 0.00 O ATOM 256 OE2 GLU A 19 -12.307 5.707 2.854 1.00 0.00 O ATOM 0 H GLU A 19 -12.447 2.658 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.811 3.255 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.707 4.792 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.463 3.710 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.557 4.032 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.797 5.110 0.953 1.00 0.00 H new ATOM 263 N LYS A 20 -9.309 2.184 1.415 1.00 0.00 N ATOM 264 CA LYS A 20 -8.858 1.313 2.495 1.00 0.00 C ATOM 265 C LYS A 20 -9.648 1.577 3.772 1.00 0.00 C ATOM 266 O LYS A 20 -10.262 2.633 3.929 1.00 0.00 O ATOM 267 CB LYS A 20 -7.364 1.519 2.753 1.00 0.00 C ATOM 268 CG LYS A 20 -6.476 0.994 1.638 1.00 0.00 C ATOM 269 CD LYS A 20 -5.006 1.053 2.021 1.00 0.00 C ATOM 270 CE LYS A 20 -4.110 1.052 0.793 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.902 2.425 0.256 1.00 0.00 N ATOM 0 H LYS A 20 -8.743 3.022 1.286 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.028 0.280 2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.171 2.583 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.093 1.024 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.751 -0.035 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.641 1.580 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.818 1.951 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.759 0.200 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.146 0.612 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.553 0.423 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.286 2.381 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.819 2.836 -0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.455 3.019 0.984 1.00 0.00 H new ATOM 285 N THR A 21 -9.624 0.613 4.687 1.00 0.00 N ATOM 286 CA THR A 21 -10.337 0.741 5.952 1.00 0.00 C ATOM 287 C THR A 21 -9.368 0.921 7.114 1.00 0.00 C ATOM 288 O THR A 21 -8.162 0.731 6.961 1.00 0.00 O ATOM 289 CB THR A 21 -11.225 -0.487 6.224 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.460 -1.689 6.074 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.415 -0.516 5.276 1.00 0.00 C ATOM 0 H THR A 21 -9.118 -0.266 4.575 1.00 0.00 H new ATOM 0 HA THR A 21 -10.969 1.625 5.870 1.00 0.00 H new ATOM 0 HB THR A 21 -11.597 -0.419 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.275 -1.843 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.027 -1.393 5.488 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.012 0.386 5.414 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.059 -0.562 4.247 1.00 0.00 H new ATOM 299 N GLN A 22 -9.903 1.286 8.275 1.00 0.00 N ATOM 300 CA GLN A 22 -9.082 1.490 9.462 1.00 0.00 C ATOM 301 C GLN A 22 -8.222 0.264 9.748 1.00 0.00 C ATOM 302 O GLN A 22 -7.009 0.372 9.925 1.00 0.00 O ATOM 303 CB GLN A 22 -9.967 1.800 10.672 1.00 0.00 C ATOM 304 CG GLN A 22 -10.443 3.242 10.724 1.00 0.00 C ATOM 305 CD GLN A 22 -11.441 3.566 9.630 1.00 0.00 C ATOM 306 OE1 GLN A 22 -11.096 3.599 8.448 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.688 3.808 10.018 1.00 0.00 N ATOM 0 H GLN A 22 -10.900 1.446 8.418 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.422 2.337 9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.834 1.140 10.656 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.413 1.576 11.584 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.898 3.436 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.584 3.908 10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.931 3.770 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.403 4.032 9.326 1.00 0.00 H new ATOM 316 N GLY A 23 -8.858 -0.903 9.789 1.00 0.00 N ATOM 317 CA GLY A 23 -8.133 -2.133 10.054 1.00 0.00 C ATOM 318 C GLY A 23 -6.919 -2.295 9.161 1.00 0.00 C ATOM 319 O GLY A 23 -5.798 -2.432 9.648 1.00 0.00 O ATOM 0 H GLY A 23 -9.861 -1.019 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.817 -2.147 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.801 -2.983 9.911 1.00 0.00 H new ATOM 323 N GLN A 24 -7.144 -2.280 7.851 1.00 0.00 N ATOM 324 CA GLN A 24 -6.059 -2.429 6.888 1.00 0.00 C ATOM 325 C GLN A 24 -4.929 -1.450 7.188 1.00 0.00 C ATOM 326 O GLN A 24 -3.797 -1.855 7.453 1.00 0.00 O ATOM 327 CB GLN A 24 -6.578 -2.210 5.466 1.00 0.00 C ATOM 328 CG GLN A 24 -7.655 -3.199 5.052 1.00 0.00 C ATOM 329 CD GLN A 24 -8.287 -2.850 3.719 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.399 -2.326 3.665 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.578 -3.141 2.635 1.00 0.00 N ATOM 0 H GLN A 24 -8.067 -2.166 7.432 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.668 -3.443 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.975 -1.198 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.743 -2.282 4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.223 -4.198 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.428 -3.230 5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.660 -3.575 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.951 -2.930 1.710 1.00 0.00 H new ATOM 340 N VAL A 25 -5.243 -0.159 7.140 1.00 0.00 N ATOM 341 CA VAL A 25 -4.254 0.879 7.406 1.00 0.00 C ATOM 342 C VAL A 25 -3.493 0.594 8.696 1.00 0.00 C ATOM 343 O VAL A 25 -2.269 0.719 8.749 1.00 0.00 O ATOM 344 CB VAL A 25 -4.911 2.268 7.507 1.00 0.00 C ATOM 345 CG1 VAL A 25 -3.870 3.329 7.830 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.645 2.604 6.217 1.00 0.00 C ATOM 0 H VAL A 25 -6.175 0.193 6.919 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.558 0.875 6.568 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.639 2.249 8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.353 4.304 7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.394 3.093 8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.117 3.351 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.104 3.589 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.939 2.606 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.419 1.859 6.034 1.00 0.00 H new ATOM 356 N LYS A 26 -4.225 0.211 9.737 1.00 0.00 N ATOM 357 CA LYS A 26 -3.620 -0.093 11.028 1.00 0.00 C ATOM 358 C LYS A 26 -2.514 -1.135 10.878 1.00 0.00 C ATOM 359 O LYS A 26 -1.447 -1.011 11.481 1.00 0.00 O ATOM 360 CB LYS A 26 -4.682 -0.600 12.006 1.00 0.00 C ATOM 361 CG LYS A 26 -4.165 -0.795 13.420 1.00 0.00 C ATOM 362 CD LYS A 26 -5.300 -0.849 14.428 1.00 0.00 C ATOM 363 CE LYS A 26 -4.796 -1.208 15.818 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.161 -0.043 16.495 1.00 0.00 N ATOM 0 H LYS A 26 -5.239 0.104 9.711 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.182 0.824 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.512 0.107 12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.078 -1.547 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.587 -1.717 13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.488 0.020 13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.805 0.117 14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.038 -1.584 14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.627 -1.571 16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.075 -2.022 15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.831 -0.328 17.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.353 0.288 15.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.856 0.725 16.589 1.00 0.00 H new ATOM 378 N ILE A 27 -2.777 -2.159 10.073 1.00 0.00 N ATOM 379 CA ILE A 27 -1.803 -3.219 9.845 1.00 0.00 C ATOM 380 C ILE A 27 -0.537 -2.670 9.195 1.00 0.00 C ATOM 381 O ILE A 27 0.576 -3.064 9.548 1.00 0.00 O ATOM 382 CB ILE A 27 -2.383 -4.333 8.953 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.641 -4.923 9.591 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.341 -5.417 8.716 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.464 -5.763 8.640 1.00 0.00 C ATOM 0 H ILE A 27 -3.656 -2.277 9.568 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.556 -3.637 10.821 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.656 -3.903 7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.352 -5.534 10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.259 -4.111 9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.765 -6.197 8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.471 -4.984 8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.040 -5.847 9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.340 -6.149 9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.783 -5.151 7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.862 -6.596 8.276 1.00 0.00 H new ATOM 397 N LEU A 28 -0.712 -1.760 8.244 1.00 0.00 N ATOM 398 CA LEU A 28 0.417 -1.154 7.545 1.00 0.00 C ATOM 399 C LEU A 28 1.176 -0.201 8.462 1.00 0.00 C ATOM 400 O LEU A 28 2.371 -0.372 8.699 1.00 0.00 O ATOM 401 CB LEU A 28 -0.069 -0.408 6.303 1.00 0.00 C ATOM 402 CG LEU A 28 -0.879 -1.229 5.299 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.406 -0.341 4.183 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.035 -2.361 4.730 1.00 0.00 C ATOM 0 H LEU A 28 -1.626 -1.425 7.938 1.00 0.00 H new ATOM 0 HA LEU A 28 1.095 -1.951 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.678 0.436 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.799 0.004 5.788 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.731 -1.665 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.980 -0.944 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.047 0.432 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.569 0.126 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.628 -2.934 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.837 -1.946 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.291 -3.014 5.539 1.00 0.00 H new ATOM 416 N GLU A 29 0.473 0.804 8.975 1.00 0.00 N ATOM 417 CA GLU A 29 1.081 1.784 9.867 1.00 0.00 C ATOM 418 C GLU A 29 1.983 1.102 10.892 1.00 0.00 C ATOM 419 O GLU A 29 3.134 1.493 11.081 1.00 0.00 O ATOM 420 CB GLU A 29 0.000 2.597 10.582 1.00 0.00 C ATOM 421 CG GLU A 29 -0.450 3.824 9.809 1.00 0.00 C ATOM 422 CD GLU A 29 -1.125 4.856 10.693 1.00 0.00 C ATOM 423 OE1 GLU A 29 -1.679 4.468 11.741 1.00 0.00 O ATOM 424 OE2 GLU A 29 -1.095 6.052 10.335 1.00 0.00 O ATOM 0 H GLU A 29 -0.517 0.961 8.788 1.00 0.00 H new ATOM 0 HA GLU A 29 1.691 2.457 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.863 1.957 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.377 2.910 11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.413 4.278 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.139 3.520 9.021 1.00 0.00 H new ATOM 431 N ASP A 30 1.448 0.080 11.552 1.00 0.00 N ATOM 432 CA ASP A 30 2.203 -0.659 12.558 1.00 0.00 C ATOM 433 C ASP A 30 3.566 -1.077 12.016 1.00 0.00 C ATOM 434 O ASP A 30 4.582 -0.957 12.702 1.00 0.00 O ATOM 435 CB ASP A 30 1.420 -1.890 13.011 1.00 0.00 C ATOM 436 CG ASP A 30 2.078 -2.599 14.180 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.154 -3.201 13.979 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.519 -2.549 15.294 1.00 0.00 O ATOM 0 H ASP A 30 0.495 -0.255 11.409 1.00 0.00 H new ATOM 0 HA ASP A 30 2.359 -0.003 13.414 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.410 -1.591 13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.325 -2.584 12.176 1.00 0.00 H new ATOM 443 N SER A 31 3.580 -1.571 10.783 1.00 0.00 N ATOM 444 CA SER A 31 4.818 -2.011 10.150 1.00 0.00 C ATOM 445 C SER A 31 5.664 -0.818 9.721 1.00 0.00 C ATOM 446 O SER A 31 6.826 -0.691 10.116 1.00 0.00 O ATOM 447 CB SER A 31 4.510 -2.894 8.939 1.00 0.00 C ATOM 448 OG SER A 31 4.313 -4.243 9.327 1.00 0.00 O ATOM 0 H SER A 31 2.748 -1.677 10.202 1.00 0.00 H new ATOM 0 HA SER A 31 5.384 -2.590 10.880 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.618 -2.524 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.330 -2.834 8.224 1.00 0.00 H new ATOM 0 HG SER A 31 3.422 -4.343 9.724 1.00 0.00 H new ATOM 454 N PHE A 32 5.077 0.056 8.910 1.00 0.00 N ATOM 455 CA PHE A 32 5.778 1.240 8.426 1.00 0.00 C ATOM 456 C PHE A 32 6.383 2.026 9.586 1.00 0.00 C ATOM 457 O PHE A 32 7.603 2.170 9.682 1.00 0.00 O ATOM 458 CB PHE A 32 4.822 2.136 7.635 1.00 0.00 C ATOM 459 CG PHE A 32 5.512 3.245 6.895 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.020 3.036 5.623 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.656 4.497 7.472 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.657 4.055 4.939 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.292 5.519 6.793 1.00 0.00 C ATOM 464 CZ PHE A 32 6.794 5.297 5.526 1.00 0.00 C ATOM 0 H PHE A 32 4.118 -0.033 8.574 1.00 0.00 H new ATOM 0 HA PHE A 32 6.585 0.911 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.269 1.524 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.091 2.567 8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.917 2.066 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.267 4.676 8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.047 3.880 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.396 6.491 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.293 6.094 4.995 1.00 0.00 H new ATOM 474 N LEU A 33 5.525 2.532 10.464 1.00 0.00 N ATOM 475 CA LEU A 33 5.974 3.303 11.616 1.00 0.00 C ATOM 476 C LEU A 33 7.282 2.745 12.170 1.00 0.00 C ATOM 477 O LEU A 33 8.179 3.495 12.551 1.00 0.00 O ATOM 478 CB LEU A 33 4.902 3.299 12.707 1.00 0.00 C ATOM 479 CG LEU A 33 3.680 4.183 12.451 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.566 3.851 13.432 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.057 5.654 12.547 1.00 0.00 C ATOM 0 H LEU A 33 4.513 2.422 10.400 1.00 0.00 H new ATOM 0 HA LEU A 33 6.148 4.328 11.290 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.560 2.274 12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.363 3.614 13.643 1.00 0.00 H new ATOM 0 HG LEU A 33 3.318 3.986 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.705 4.490 13.235 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.277 2.806 13.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.916 4.019 14.451 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.176 6.268 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.445 5.866 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.821 5.883 11.804 1.00 0.00 H new ATOM 493 N LYS A 34 7.381 1.420 12.211 1.00 0.00 N ATOM 494 CA LYS A 34 8.579 0.757 12.715 1.00 0.00 C ATOM 495 C LYS A 34 9.695 0.788 11.675 1.00 0.00 C ATOM 496 O LYS A 34 10.778 1.317 11.928 1.00 0.00 O ATOM 497 CB LYS A 34 8.264 -0.690 13.098 1.00 0.00 C ATOM 498 CG LYS A 34 7.462 -0.818 14.381 1.00 0.00 C ATOM 499 CD LYS A 34 6.732 -2.150 14.452 1.00 0.00 C ATOM 500 CE LYS A 34 7.630 -3.249 15.000 1.00 0.00 C ATOM 501 NZ LYS A 34 8.474 -3.856 13.933 1.00 0.00 N ATOM 0 H LYS A 34 6.646 0.784 11.901 1.00 0.00 H new ATOM 0 HA LYS A 34 8.916 1.295 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.711 -1.160 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.199 -1.240 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.128 -0.721 15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.741 -0.003 14.443 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.850 -2.050 15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.381 -2.427 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.270 -2.840 15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.017 -4.022 15.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.710 -4.835 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.952 -3.852 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.350 -3.305 13.828 1.00 0.00 H new ATOM 515 N SER A 35 9.424 0.219 10.505 1.00 0.00 N ATOM 516 CA SER A 35 10.405 0.179 9.428 1.00 0.00 C ATOM 517 C SER A 35 9.768 0.561 8.097 1.00 0.00 C ATOM 518 O SER A 35 8.896 -0.145 7.587 1.00 0.00 O ATOM 519 CB SER A 35 11.027 -1.215 9.327 1.00 0.00 C ATOM 520 OG SER A 35 10.058 -2.180 8.953 1.00 0.00 O ATOM 0 H SER A 35 8.532 -0.221 10.279 1.00 0.00 H new ATOM 0 HA SER A 35 11.187 0.903 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.835 -1.204 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.468 -1.490 10.285 1.00 0.00 H new ATOM 0 HG SER A 35 9.409 -1.772 8.342 1.00 0.00 H new ATOM 526 N SER A 36 10.207 1.683 7.537 1.00 0.00 N ATOM 527 CA SER A 36 9.677 2.163 6.265 1.00 0.00 C ATOM 528 C SER A 36 9.790 1.087 5.190 1.00 0.00 C ATOM 529 O SER A 36 8.857 0.866 4.417 1.00 0.00 O ATOM 530 CB SER A 36 10.422 3.424 5.822 1.00 0.00 C ATOM 531 OG SER A 36 11.796 3.155 5.603 1.00 0.00 O ATOM 0 H SER A 36 10.929 2.278 7.944 1.00 0.00 H new ATOM 0 HA SER A 36 8.623 2.403 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.974 3.812 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.317 4.198 6.582 1.00 0.00 H new ATOM 0 HG SER A 36 11.933 2.892 4.669 1.00 0.00 H new ATOM 537 N PHE A 37 10.938 0.420 5.146 1.00 0.00 N ATOM 538 CA PHE A 37 11.175 -0.631 4.164 1.00 0.00 C ATOM 539 C PHE A 37 10.939 -2.009 4.777 1.00 0.00 C ATOM 540 O PHE A 37 11.773 -2.542 5.510 1.00 0.00 O ATOM 541 CB PHE A 37 12.602 -0.541 3.621 1.00 0.00 C ATOM 542 CG PHE A 37 13.063 0.868 3.380 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.325 1.726 2.580 1.00 0.00 C ATOM 544 CD2 PHE A 37 14.234 1.336 3.954 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.746 3.024 2.357 1.00 0.00 C ATOM 546 CE2 PHE A 37 14.660 2.632 3.735 1.00 0.00 C ATOM 547 CZ PHE A 37 13.915 3.477 2.935 1.00 0.00 C ATOM 0 H PHE A 37 11.719 0.589 5.780 1.00 0.00 H new ATOM 0 HA PHE A 37 10.472 -0.491 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.281 -1.022 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.663 -1.100 2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.410 1.376 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.821 0.680 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.161 3.682 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.575 2.984 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.247 4.490 2.762 1.00 0.00 H new ATOM 557 N PRO A 38 9.775 -2.602 4.472 1.00 0.00 N ATOM 558 CA PRO A 38 9.402 -3.924 4.981 1.00 0.00 C ATOM 559 C PRO A 38 10.242 -5.040 4.369 1.00 0.00 C ATOM 560 O PRO A 38 11.076 -4.797 3.496 1.00 0.00 O ATOM 561 CB PRO A 38 7.936 -4.066 4.561 1.00 0.00 C ATOM 562 CG PRO A 38 7.796 -3.177 3.372 1.00 0.00 C ATOM 563 CD PRO A 38 8.734 -2.025 3.604 1.00 0.00 C ATOM 0 HA PRO A 38 9.561 -4.006 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.693 -5.099 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.263 -3.764 5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.050 -3.709 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.769 -2.828 3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.152 -1.652 2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.230 -1.187 4.084 1.00 0.00 H new ATOM 571 N THR A 39 10.018 -6.266 4.831 1.00 0.00 N ATOM 572 CA THR A 39 10.754 -7.419 4.330 1.00 0.00 C ATOM 573 C THR A 39 9.813 -8.445 3.708 1.00 0.00 C ATOM 574 O THR A 39 8.610 -8.436 3.970 1.00 0.00 O ATOM 575 CB THR A 39 11.565 -8.097 5.449 1.00 0.00 C ATOM 576 OG1 THR A 39 12.385 -9.136 4.900 1.00 0.00 O ATOM 577 CG2 THR A 39 10.644 -8.676 6.512 1.00 0.00 C ATOM 0 H THR A 39 9.331 -6.486 5.553 1.00 0.00 H new ATOM 0 HA THR A 39 11.439 -7.049 3.567 1.00 0.00 H new ATOM 0 HB THR A 39 12.200 -7.343 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.899 -9.561 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.241 -9.150 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.045 -7.877 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.986 -9.417 6.059 1.00 0.00 H new ATOM 585 N GLN A 40 10.369 -9.328 2.885 1.00 0.00 N ATOM 586 CA GLN A 40 9.579 -10.360 2.226 1.00 0.00 C ATOM 587 C GLN A 40 8.633 -11.036 3.214 1.00 0.00 C ATOM 588 O GLN A 40 7.484 -11.329 2.887 1.00 0.00 O ATOM 589 CB GLN A 40 10.494 -11.404 1.585 1.00 0.00 C ATOM 590 CG GLN A 40 11.370 -10.843 0.474 1.00 0.00 C ATOM 591 CD GLN A 40 10.562 -10.266 -0.671 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.315 -10.939 -1.672 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.144 -9.013 -0.530 1.00 0.00 N ATOM 0 H GLN A 40 11.363 -9.349 2.659 1.00 0.00 H new ATOM 0 HA GLN A 40 8.984 -9.882 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.131 -11.839 2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.884 -12.212 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.018 -10.068 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.019 -11.632 0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.372 -8.492 0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.595 -8.572 -1.268 1.00 0.00 H new ATOM 602 N ALA A 41 9.126 -11.281 4.424 1.00 0.00 N ATOM 603 CA ALA A 41 8.326 -11.920 5.461 1.00 0.00 C ATOM 604 C ALA A 41 7.180 -11.016 5.905 1.00 0.00 C ATOM 605 O ALA A 41 6.033 -11.452 5.993 1.00 0.00 O ATOM 606 CB ALA A 41 9.199 -12.291 6.649 1.00 0.00 C ATOM 0 H ALA A 41 10.077 -11.046 4.710 1.00 0.00 H new ATOM 0 HA ALA A 41 7.896 -12.830 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.587 -12.767 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.979 -12.981 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.658 -11.391 7.058 1.00 0.00 H new ATOM 612 N GLU A 42 7.501 -9.757 6.186 1.00 0.00 N ATOM 613 CA GLU A 42 6.497 -8.794 6.623 1.00 0.00 C ATOM 614 C GLU A 42 5.450 -8.567 5.536 1.00 0.00 C ATOM 615 O GLU A 42 4.274 -8.890 5.713 1.00 0.00 O ATOM 616 CB GLU A 42 7.160 -7.464 6.992 1.00 0.00 C ATOM 617 CG GLU A 42 6.258 -6.533 7.784 1.00 0.00 C ATOM 618 CD GLU A 42 5.478 -7.254 8.866 1.00 0.00 C ATOM 619 OE1 GLU A 42 4.491 -7.941 8.529 1.00 0.00 O ATOM 620 OE2 GLU A 42 5.858 -7.133 10.050 1.00 0.00 O ATOM 0 H GLU A 42 8.447 -9.381 6.119 1.00 0.00 H new ATOM 0 HA GLU A 42 6.000 -9.202 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.060 -7.665 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.476 -6.960 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.863 -5.748 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.561 -6.044 7.104 1.00 0.00 H new ATOM 627 N LEU A 43 5.885 -8.012 4.411 1.00 0.00 N ATOM 628 CA LEU A 43 4.986 -7.741 3.294 1.00 0.00 C ATOM 629 C LEU A 43 4.000 -8.888 3.098 1.00 0.00 C ATOM 630 O LEU A 43 2.786 -8.688 3.119 1.00 0.00 O ATOM 631 CB LEU A 43 5.788 -7.517 2.011 1.00 0.00 C ATOM 632 CG LEU A 43 6.210 -6.075 1.726 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.223 -6.030 0.592 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.995 -5.221 1.392 1.00 0.00 C ATOM 0 H LEU A 43 6.855 -7.741 4.247 1.00 0.00 H new ATOM 0 HA LEU A 43 4.422 -6.837 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.685 -8.135 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.195 -7.874 1.169 1.00 0.00 H new ATOM 0 HG LEU A 43 6.680 -5.669 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.512 -4.996 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.105 -6.608 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.779 -6.453 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.313 -4.198 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.497 -5.625 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.303 -5.228 2.234 1.00 0.00 H new ATOM 646 N ASP A 44 4.532 -10.092 2.908 1.00 0.00 N ATOM 647 CA ASP A 44 3.700 -11.273 2.711 1.00 0.00 C ATOM 648 C ASP A 44 2.499 -11.255 3.654 1.00 0.00 C ATOM 649 O ASP A 44 1.382 -11.587 3.259 1.00 0.00 O ATOM 650 CB ASP A 44 4.521 -12.544 2.933 1.00 0.00 C ATOM 651 CG ASP A 44 3.761 -13.798 2.548 1.00 0.00 C ATOM 652 OD1 ASP A 44 2.686 -14.044 3.134 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.241 -14.533 1.660 1.00 0.00 O ATOM 0 H ASP A 44 5.535 -10.275 2.886 1.00 0.00 H new ATOM 0 HA ASP A 44 3.333 -11.262 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.440 -12.486 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.812 -12.607 3.981 1.00 0.00 H new ATOM 658 N ARG A 45 2.741 -10.868 4.902 1.00 0.00 N ATOM 659 CA ARG A 45 1.681 -10.808 5.902 1.00 0.00 C ATOM 660 C ARG A 45 0.814 -9.568 5.705 1.00 0.00 C ATOM 661 O ARG A 45 -0.409 -9.625 5.835 1.00 0.00 O ATOM 662 CB ARG A 45 2.279 -10.806 7.311 1.00 0.00 C ATOM 663 CG ARG A 45 1.327 -11.325 8.376 1.00 0.00 C ATOM 664 CD ARG A 45 1.447 -12.831 8.545 1.00 0.00 C ATOM 665 NE ARG A 45 2.770 -13.226 9.020 1.00 0.00 N ATOM 666 CZ ARG A 45 3.122 -14.485 9.254 1.00 0.00 C ATOM 667 NH1 ARG A 45 2.253 -15.467 9.059 1.00 0.00 N ATOM 668 NH2 ARG A 45 4.346 -14.764 9.685 1.00 0.00 N ATOM 0 H ARG A 45 3.661 -10.591 5.245 1.00 0.00 H new ATOM 0 HA ARG A 45 1.053 -11.691 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.182 -11.416 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.580 -9.790 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.539 -10.833 9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.303 -11.069 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.691 -13.178 9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.243 -13.320 7.592 1.00 0.00 H new ATOM 0 HE ARG A 45 3.462 -12.494 9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.311 -15.257 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.526 -16.433 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.017 -14.011 9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.615 -15.731 9.864 1.00 0.00 H new ATOM 682 N LEU A 46 1.456 -8.448 5.389 1.00 0.00 N ATOM 683 CA LEU A 46 0.744 -7.194 5.172 1.00 0.00 C ATOM 684 C LEU A 46 -0.293 -7.340 4.063 1.00 0.00 C ATOM 685 O LEU A 46 -1.461 -6.993 4.243 1.00 0.00 O ATOM 686 CB LEU A 46 1.731 -6.079 4.820 1.00 0.00 C ATOM 687 CG LEU A 46 2.857 -5.836 5.826 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.813 -4.772 5.311 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.287 -5.433 7.178 1.00 0.00 C ATOM 0 H LEU A 46 2.468 -8.383 5.278 1.00 0.00 H new ATOM 0 HA LEU A 46 0.226 -6.935 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.178 -6.309 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.172 -5.151 4.700 1.00 0.00 H new ATOM 0 HG LEU A 46 3.413 -6.765 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.607 -4.613 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.248 -5.100 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.270 -3.839 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.103 -5.264 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.706 -4.517 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.643 -6.229 7.553 1.00 0.00 H new ATOM 701 N ARG A 47 0.141 -7.857 2.918 1.00 0.00 N ATOM 702 CA ARG A 47 -0.749 -8.048 1.781 1.00 0.00 C ATOM 703 C ARG A 47 -1.960 -8.890 2.175 1.00 0.00 C ATOM 704 O ARG A 47 -3.091 -8.405 2.180 1.00 0.00 O ATOM 705 CB ARG A 47 -0.002 -8.719 0.627 1.00 0.00 C ATOM 706 CG ARG A 47 0.959 -7.791 -0.098 1.00 0.00 C ATOM 707 CD ARG A 47 1.744 -8.530 -1.171 1.00 0.00 C ATOM 708 NE ARG A 47 0.877 -9.035 -2.233 1.00 0.00 N ATOM 709 CZ ARG A 47 0.279 -10.219 -2.192 1.00 0.00 C ATOM 710 NH1 ARG A 47 0.452 -11.018 -1.148 1.00 0.00 N ATOM 711 NH2 ARG A 47 -0.495 -10.609 -3.197 1.00 0.00 N ATOM 0 H ARG A 47 1.104 -8.151 2.754 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.098 -7.068 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.553 -9.574 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.728 -9.107 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.402 -6.972 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.650 -7.348 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.490 -7.861 -1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.284 -9.361 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 47 0.723 -8.445 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.046 -10.723 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.009 -11.927 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.631 -9.998 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.954 -11.519 -3.164 1.00 0.00 H new ATOM 725 N VAL A 48 -1.713 -10.154 2.503 1.00 0.00 N ATOM 726 CA VAL A 48 -2.782 -11.064 2.899 1.00 0.00 C ATOM 727 C VAL A 48 -3.638 -10.459 4.006 1.00 0.00 C ATOM 728 O VAL A 48 -4.863 -10.431 3.912 1.00 0.00 O ATOM 729 CB VAL A 48 -2.220 -12.415 3.380 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.067 -12.199 4.348 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.317 -13.250 4.023 1.00 0.00 C ATOM 0 H VAL A 48 -0.782 -10.571 2.502 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.399 -11.229 2.016 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.840 -12.959 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.683 -13.164 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.273 -11.643 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.418 -11.635 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.902 -14.201 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.729 -12.714 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.107 -13.435 3.296 1.00 0.00 H new ATOM 741 N GLU A 49 -2.980 -9.974 5.056 1.00 0.00 N ATOM 742 CA GLU A 49 -3.681 -9.368 6.182 1.00 0.00 C ATOM 743 C GLU A 49 -4.612 -8.256 5.708 1.00 0.00 C ATOM 744 O GLU A 49 -5.833 -8.349 5.851 1.00 0.00 O ATOM 745 CB GLU A 49 -2.680 -8.812 7.196 1.00 0.00 C ATOM 746 CG GLU A 49 -1.983 -9.886 8.016 1.00 0.00 C ATOM 747 CD GLU A 49 -2.805 -10.331 9.209 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.391 -9.460 9.885 1.00 0.00 O ATOM 749 OE2 GLU A 49 -2.862 -11.551 9.469 1.00 0.00 O ATOM 0 H GLU A 49 -1.964 -9.989 5.150 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.281 -10.141 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.928 -8.225 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.199 -8.131 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.776 -10.747 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.021 -9.507 8.362 1.00 0.00 H new ATOM 756 N THR A 50 -4.029 -7.203 5.145 1.00 0.00 N ATOM 757 CA THR A 50 -4.805 -6.072 4.653 1.00 0.00 C ATOM 758 C THR A 50 -5.566 -6.438 3.383 1.00 0.00 C ATOM 759 O THR A 50 -6.358 -5.646 2.871 1.00 0.00 O ATOM 760 CB THR A 50 -3.904 -4.856 4.365 1.00 0.00 C ATOM 761 OG1 THR A 50 -2.955 -5.180 3.343 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.172 -4.415 5.623 1.00 0.00 C ATOM 0 H THR A 50 -3.021 -7.110 5.018 1.00 0.00 H new ATOM 0 HA THR A 50 -5.516 -5.811 5.437 1.00 0.00 H new ATOM 0 HB THR A 50 -4.536 -4.036 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.154 -5.570 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.542 -3.555 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.897 -4.140 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.551 -5.233 5.988 1.00 0.00 H new ATOM 770 N LYS A 51 -5.323 -7.643 2.880 1.00 0.00 N ATOM 771 CA LYS A 51 -5.986 -8.116 1.671 1.00 0.00 C ATOM 772 C LYS A 51 -5.661 -7.216 0.484 1.00 0.00 C ATOM 773 O LYS A 51 -6.549 -6.831 -0.278 1.00 0.00 O ATOM 774 CB LYS A 51 -7.501 -8.171 1.884 1.00 0.00 C ATOM 775 CG LYS A 51 -7.928 -9.153 2.961 1.00 0.00 C ATOM 776 CD LYS A 51 -7.704 -10.590 2.524 1.00 0.00 C ATOM 777 CE LYS A 51 -8.643 -11.546 3.247 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.614 -12.910 2.650 1.00 0.00 N ATOM 0 H LYS A 51 -4.671 -8.311 3.291 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.619 -9.119 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.859 -7.176 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.982 -8.443 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.368 -8.958 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.982 -9.003 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.857 -10.672 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.671 -10.875 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.363 -11.604 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.660 -11.155 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.266 -13.531 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.906 -12.859 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.649 -13.294 2.709 1.00 0.00 H new ATOM 792 N LEU A 52 -4.383 -6.884 0.331 1.00 0.00 N ATOM 793 CA LEU A 52 -3.942 -6.030 -0.765 1.00 0.00 C ATOM 794 C LEU A 52 -2.750 -6.649 -1.492 1.00 0.00 C ATOM 795 O LEU A 52 -2.162 -7.624 -1.022 1.00 0.00 O ATOM 796 CB LEU A 52 -3.567 -4.643 -0.239 1.00 0.00 C ATOM 797 CG LEU A 52 -4.619 -3.948 0.625 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.986 -2.836 1.446 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.743 -3.397 -0.243 1.00 0.00 C ATOM 0 H LEU A 52 -3.635 -7.193 0.952 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.766 -5.934 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.649 -4.732 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.343 -4.001 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.041 -4.683 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.750 -2.353 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.217 -3.255 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.536 -2.101 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.483 -2.906 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.335 -2.677 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.216 -4.214 -0.788 1.00 0.00 H new ATOM 811 N SER A 53 -2.397 -6.074 -2.637 1.00 0.00 N ATOM 812 CA SER A 53 -1.278 -6.569 -3.428 1.00 0.00 C ATOM 813 C SER A 53 -0.040 -5.703 -3.221 1.00 0.00 C ATOM 814 O SER A 53 -0.123 -4.605 -2.667 1.00 0.00 O ATOM 815 CB SER A 53 -1.650 -6.601 -4.912 1.00 0.00 C ATOM 816 OG SER A 53 -2.108 -5.334 -5.350 1.00 0.00 O ATOM 0 H SER A 53 -2.871 -5.264 -3.037 1.00 0.00 H new ATOM 0 HA SER A 53 -1.050 -7.582 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.783 -6.902 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.425 -7.349 -5.080 1.00 0.00 H new ATOM 0 HG SER A 53 -2.338 -5.380 -6.302 1.00 0.00 H new ATOM 822 N ARG A 54 1.107 -6.203 -3.668 1.00 0.00 N ATOM 823 CA ARG A 54 2.363 -5.476 -3.532 1.00 0.00 C ATOM 824 C ARG A 54 2.185 -4.007 -3.904 1.00 0.00 C ATOM 825 O ARG A 54 2.574 -3.113 -3.152 1.00 0.00 O ATOM 826 CB ARG A 54 3.442 -6.109 -4.411 1.00 0.00 C ATOM 827 CG ARG A 54 4.193 -7.244 -3.732 1.00 0.00 C ATOM 828 CD ARG A 54 5.079 -6.730 -2.607 1.00 0.00 C ATOM 829 NE ARG A 54 6.417 -6.386 -3.078 1.00 0.00 N ATOM 830 CZ ARG A 54 7.383 -7.279 -3.265 1.00 0.00 C ATOM 831 NH1 ARG A 54 7.159 -8.562 -3.024 1.00 0.00 N ATOM 832 NH2 ARG A 54 8.575 -6.887 -3.696 1.00 0.00 N ATOM 0 H ARG A 54 1.192 -7.109 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 54 2.675 -5.533 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.980 -6.485 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.155 -5.339 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.481 -7.967 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.803 -7.769 -4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.617 -5.853 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.153 -7.489 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 54 6.622 -5.406 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.243 -8.867 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.902 -9.245 -3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.750 -5.900 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.316 -7.573 -3.839 1.00 0.00 H new ATOM 846 N ARG A 55 1.594 -3.766 -5.070 1.00 0.00 N ATOM 847 CA ARG A 55 1.366 -2.406 -5.545 1.00 0.00 C ATOM 848 C ARG A 55 0.589 -1.594 -4.513 1.00 0.00 C ATOM 849 O ARG A 55 1.081 -0.588 -4.002 1.00 0.00 O ATOM 850 CB ARG A 55 0.606 -2.427 -6.872 1.00 0.00 C ATOM 851 CG ARG A 55 1.363 -3.111 -7.997 1.00 0.00 C ATOM 852 CD ARG A 55 0.468 -3.357 -9.202 1.00 0.00 C ATOM 853 NE ARG A 55 0.421 -2.205 -10.096 1.00 0.00 N ATOM 854 CZ ARG A 55 1.481 -1.739 -10.750 1.00 0.00 C ATOM 855 NH1 ARG A 55 2.661 -2.326 -10.611 1.00 0.00 N ATOM 856 NH2 ARG A 55 1.358 -0.685 -11.545 1.00 0.00 N ATOM 0 H ARG A 55 1.264 -4.495 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 55 2.336 -1.933 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.348 -2.934 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.380 -1.402 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.212 -2.495 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.766 -4.060 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.831 -4.226 -9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.540 -3.593 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.473 -1.732 -10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.758 -3.138 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.472 -1.966 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.451 -0.232 -11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.171 -0.327 -12.047 1.00 0.00 H new ATOM 870 N GLU A 56 -0.628 -2.038 -4.212 1.00 0.00 N ATOM 871 CA GLU A 56 -1.474 -1.351 -3.243 1.00 0.00 C ATOM 872 C GLU A 56 -0.634 -0.754 -2.117 1.00 0.00 C ATOM 873 O GLU A 56 -0.585 0.464 -1.944 1.00 0.00 O ATOM 874 CB GLU A 56 -2.511 -2.314 -2.665 1.00 0.00 C ATOM 875 CG GLU A 56 -3.764 -2.442 -3.516 1.00 0.00 C ATOM 876 CD GLU A 56 -4.476 -1.117 -3.709 1.00 0.00 C ATOM 877 OE1 GLU A 56 -5.182 -0.681 -2.776 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.325 -0.516 -4.793 1.00 0.00 O ATOM 0 H GLU A 56 -1.050 -2.870 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.990 -0.541 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.057 -3.298 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.792 -1.976 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.497 -2.852 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.446 -3.152 -3.048 1.00 0.00 H new ATOM 885 N ILE A 57 0.022 -1.621 -1.352 1.00 0.00 N ATOM 886 CA ILE A 57 0.859 -1.180 -0.243 1.00 0.00 C ATOM 887 C ILE A 57 1.974 -0.259 -0.728 1.00 0.00 C ATOM 888 O ILE A 57 2.088 0.883 -0.283 1.00 0.00 O ATOM 889 CB ILE A 57 1.482 -2.375 0.501 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.386 -3.296 1.040 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.376 -1.888 1.632 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.894 -4.657 1.463 1.00 0.00 C ATOM 0 H ILE A 57 -0.010 -2.632 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 57 0.212 -0.633 0.443 1.00 0.00 H new ATOM 0 HB ILE A 57 2.094 -2.942 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.094 -2.816 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.379 -3.425 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.809 -2.745 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.175 -1.269 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.786 -1.301 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.063 -5.256 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.349 -5.158 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.637 -4.539 2.252 1.00 0.00 H new ATOM 904 N ASP A 58 2.794 -0.763 -1.644 1.00 0.00 N ATOM 905 CA ASP A 58 3.898 0.014 -2.192 1.00 0.00 C ATOM 906 C ASP A 58 3.500 1.477 -2.366 1.00 0.00 C ATOM 907 O ASP A 58 4.309 2.380 -2.160 1.00 0.00 O ATOM 908 CB ASP A 58 4.345 -0.569 -3.533 1.00 0.00 C ATOM 909 CG ASP A 58 5.420 0.267 -4.198 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.467 0.503 -3.561 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.215 0.686 -5.356 1.00 0.00 O ATOM 0 H ASP A 58 2.714 -1.707 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 58 4.729 -0.036 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.719 -1.581 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.485 -0.645 -4.198 1.00 0.00 H new ATOM 916 N SER A 59 2.248 1.701 -2.749 1.00 0.00 N ATOM 917 CA SER A 59 1.742 3.054 -2.956 1.00 0.00 C ATOM 918 C SER A 59 1.557 3.775 -1.624 1.00 0.00 C ATOM 919 O SER A 59 1.921 4.941 -1.482 1.00 0.00 O ATOM 920 CB SER A 59 0.415 3.015 -3.717 1.00 0.00 C ATOM 921 OG SER A 59 -0.104 4.319 -3.904 1.00 0.00 O ATOM 0 H SER A 59 1.565 0.964 -2.923 1.00 0.00 H new ATOM 0 HA SER A 59 2.475 3.603 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.561 2.536 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.305 2.409 -3.167 1.00 0.00 H new ATOM 0 HG SER A 59 -0.951 4.267 -4.394 1.00 0.00 H new ATOM 927 N TRP A 60 0.987 3.071 -0.653 1.00 0.00 N ATOM 928 CA TRP A 60 0.753 3.642 0.668 1.00 0.00 C ATOM 929 C TRP A 60 2.070 3.899 1.392 1.00 0.00 C ATOM 930 O TRP A 60 2.206 4.878 2.128 1.00 0.00 O ATOM 931 CB TRP A 60 -0.128 2.710 1.501 1.00 0.00 C ATOM 932 CG TRP A 60 -0.459 3.258 2.856 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.652 3.792 3.256 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.413 3.329 3.989 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.572 4.189 4.568 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.316 3.915 5.042 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.740 2.952 4.218 1.00 0.00 C ATOM 938 CZ2 TRP A 60 0.238 4.133 6.300 1.00 0.00 C ATOM 939 CZ3 TRP A 60 2.288 3.169 5.468 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.538 3.755 6.495 1.00 0.00 C ATOM 0 H TRP A 60 0.678 2.104 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 60 0.240 4.595 0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.054 2.517 0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.378 1.752 1.618 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.528 3.888 2.632 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.326 4.619 5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.326 2.499 3.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.338 4.585 7.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.312 2.882 5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.995 3.912 7.461 1.00 0.00 H new ATOM 951 N PHE A 61 3.038 3.014 1.181 1.00 0.00 N ATOM 952 CA PHE A 61 4.345 3.145 1.814 1.00 0.00 C ATOM 953 C PHE A 61 5.130 4.305 1.209 1.00 0.00 C ATOM 954 O PHE A 61 5.674 5.143 1.928 1.00 0.00 O ATOM 955 CB PHE A 61 5.140 1.845 1.668 1.00 0.00 C ATOM 956 CG PHE A 61 4.858 0.844 2.751 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.565 0.408 2.991 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.887 0.341 3.531 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.301 -0.513 3.988 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.629 -0.581 4.529 1.00 0.00 C ATOM 961 CZ PHE A 61 4.337 -1.007 4.759 1.00 0.00 C ATOM 0 H PHE A 61 2.942 2.198 0.576 1.00 0.00 H new ATOM 0 HA PHE A 61 4.188 3.349 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.912 1.396 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.205 2.078 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.753 0.792 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.900 0.672 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.289 -0.845 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.440 -0.968 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.135 -1.725 5.540 1.00 0.00 H new ATOM 971 N SER A 62 5.183 4.346 -0.119 1.00 0.00 N ATOM 972 CA SER A 62 5.903 5.400 -0.822 1.00 0.00 C ATOM 973 C SER A 62 5.379 6.777 -0.425 1.00 0.00 C ATOM 974 O SER A 62 6.144 7.649 -0.016 1.00 0.00 O ATOM 975 CB SER A 62 5.777 5.211 -2.336 1.00 0.00 C ATOM 976 OG SER A 62 6.847 5.838 -3.019 1.00 0.00 O ATOM 0 H SER A 62 4.736 3.661 -0.729 1.00 0.00 H new ATOM 0 HA SER A 62 6.954 5.336 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.764 4.147 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.829 5.626 -2.680 1.00 0.00 H new ATOM 0 HG SER A 62 6.744 5.701 -3.984 1.00 0.00 H new ATOM 982 N GLU A 63 4.068 6.961 -0.547 1.00 0.00 N ATOM 983 CA GLU A 63 3.442 8.231 -0.200 1.00 0.00 C ATOM 984 C GLU A 63 3.711 8.591 1.258 1.00 0.00 C ATOM 985 O GLU A 63 3.842 9.765 1.605 1.00 0.00 O ATOM 986 CB GLU A 63 1.933 8.167 -0.452 1.00 0.00 C ATOM 987 CG GLU A 63 1.151 7.554 0.699 1.00 0.00 C ATOM 988 CD GLU A 63 0.707 8.585 1.717 1.00 0.00 C ATOM 989 OE1 GLU A 63 0.556 9.765 1.341 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.512 8.211 2.893 1.00 0.00 O ATOM 0 H GLU A 63 3.420 6.248 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 63 3.876 9.005 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.561 9.174 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.748 7.587 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.276 7.038 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.768 6.803 1.193 1.00 0.00 H new ATOM 997 N ARG A 64 3.789 7.573 2.108 1.00 0.00 N ATOM 998 CA ARG A 64 4.041 7.781 3.528 1.00 0.00 C ATOM 999 C ARG A 64 5.463 8.278 3.762 1.00 0.00 C ATOM 1000 O ARG A 64 5.725 9.020 4.709 1.00 0.00 O ATOM 1001 CB ARG A 64 3.808 6.483 4.305 1.00 0.00 C ATOM 1002 CG ARG A 64 3.572 6.696 5.791 1.00 0.00 C ATOM 1003 CD ARG A 64 2.358 7.579 6.040 1.00 0.00 C ATOM 1004 NE ARG A 64 1.721 7.282 7.320 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.832 8.081 7.902 1.00 0.00 C ATOM 1006 NH1 ARG A 64 0.476 9.218 7.318 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.296 7.743 9.067 1.00 0.00 N ATOM 0 H ARG A 64 3.681 6.595 1.838 1.00 0.00 H new ATOM 0 HA ARG A 64 3.346 8.541 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.948 5.965 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.671 5.831 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.429 5.732 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.454 7.153 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.660 8.626 6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.637 7.440 5.235 1.00 0.00 H new ATOM 0 HE ARG A 64 1.972 6.414 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.885 9.480 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.206 9.830 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.566 6.869 9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.386 8.357 9.512 1.00 0.00 H new ATOM 1021 N ARG A 65 6.380 7.863 2.894 1.00 0.00 N ATOM 1022 CA ARG A 65 7.777 8.265 3.005 1.00 0.00 C ATOM 1023 C ARG A 65 7.941 9.751 2.699 1.00 0.00 C ATOM 1024 O ARG A 65 8.812 10.419 3.258 1.00 0.00 O ATOM 1025 CB ARG A 65 8.646 7.437 2.057 1.00 0.00 C ATOM 1026 CG ARG A 65 8.667 5.953 2.387 1.00 0.00 C ATOM 1027 CD ARG A 65 9.976 5.308 1.966 1.00 0.00 C ATOM 1028 NE ARG A 65 9.803 3.903 1.607 1.00 0.00 N ATOM 1029 CZ ARG A 65 9.429 3.493 0.400 1.00 0.00 C ATOM 1030 NH1 ARG A 65 9.192 4.376 -0.560 1.00 0.00 N ATOM 1031 NH2 ARG A 65 9.293 2.197 0.150 1.00 0.00 N ATOM 0 H ARG A 65 6.180 7.248 2.105 1.00 0.00 H new ATOM 0 HA ARG A 65 8.100 8.086 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.283 7.568 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.666 7.821 2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.520 5.815 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.837 5.456 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.391 5.851 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.698 5.388 2.779 1.00 0.00 H new ATOM 0 HE ARG A 65 9.979 3.198 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.297 5.373 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.905 4.058 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.476 1.514 0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.006 1.884 -0.777 1.00 0.00 H new ATOM 1045 N LYS A 66 7.100 10.262 1.806 1.00 0.00 N ATOM 1046 CA LYS A 66 7.150 11.668 1.425 1.00 0.00 C ATOM 1047 C LYS A 66 6.201 12.500 2.281 1.00 0.00 C ATOM 1048 O LYS A 66 6.407 13.699 2.468 1.00 0.00 O ATOM 1049 CB LYS A 66 6.793 11.830 -0.055 1.00 0.00 C ATOM 1050 CG LYS A 66 5.861 10.749 -0.576 1.00 0.00 C ATOM 1051 CD LYS A 66 5.497 10.981 -2.033 1.00 0.00 C ATOM 1052 CE LYS A 66 4.541 12.154 -2.191 1.00 0.00 C ATOM 1053 NZ LYS A 66 4.423 12.586 -3.610 1.00 0.00 N ATOM 0 H LYS A 66 6.375 9.723 1.333 1.00 0.00 H new ATOM 0 HA LYS A 66 8.166 12.026 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.326 12.804 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.710 11.823 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.337 9.774 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.954 10.728 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.403 11.169 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.040 10.080 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.557 11.874 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.889 12.990 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.763 13.387 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.357 12.877 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.067 11.796 -4.185 1.00 0.00 H new ATOM 1067 N LEU A 67 5.162 11.855 2.800 1.00 0.00 N ATOM 1068 CA LEU A 67 4.181 12.535 3.639 1.00 0.00 C ATOM 1069 C LEU A 67 4.650 12.588 5.090 1.00 0.00 C ATOM 1070 O LEU A 67 4.941 13.660 5.619 1.00 0.00 O ATOM 1071 CB LEU A 67 2.829 11.825 3.553 1.00 0.00 C ATOM 1072 CG LEU A 67 1.942 11.918 4.795 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.781 13.366 5.230 1.00 0.00 C ATOM 1074 CD2 LEU A 67 0.584 11.285 4.531 1.00 0.00 C ATOM 0 H LEU A 67 4.977 10.862 2.655 1.00 0.00 H new ATOM 0 HA LEU A 67 4.072 13.556 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.279 12.236 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.007 10.772 3.336 1.00 0.00 H new ATOM 0 HG LEU A 67 2.425 11.369 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.147 13.412 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.759 13.787 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.322 13.939 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.033 11.361 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.094 11.805 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.717 10.235 4.270 1.00 0.00 H new ATOM 1086 N ARG A 68 4.721 11.423 5.726 1.00 0.00 N ATOM 1087 CA ARG A 68 5.155 11.337 7.115 1.00 0.00 C ATOM 1088 C ARG A 68 6.356 12.243 7.366 1.00 0.00 C ATOM 1089 O ARG A 68 6.419 12.942 8.379 1.00 0.00 O ATOM 1090 CB ARG A 68 5.509 9.892 7.473 1.00 0.00 C ATOM 1091 CG ARG A 68 5.405 9.589 8.958 1.00 0.00 C ATOM 1092 CD ARG A 68 6.349 8.469 9.367 1.00 0.00 C ATOM 1093 NE ARG A 68 6.414 8.308 10.817 1.00 0.00 N ATOM 1094 CZ ARG A 68 7.199 9.038 11.602 1.00 0.00 C ATOM 1095 NH1 ARG A 68 7.982 9.971 11.080 1.00 0.00 N ATOM 1096 NH2 ARG A 68 7.203 8.832 12.913 1.00 0.00 N ATOM 0 H ARG A 68 4.484 10.526 5.302 1.00 0.00 H new ATOM 0 HA ARG A 68 4.332 11.669 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.848 9.219 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.525 9.682 7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.635 10.487 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.380 9.310 9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.020 7.534 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.347 8.677 8.981 1.00 0.00 H new ATOM 0 HE ARG A 68 5.825 7.597 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.983 10.131 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.583 10.530 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.603 8.113 13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.806 9.392 13.515 1.00 0.00 H new ATOM 1110 N ASP A 69 7.308 12.228 6.440 1.00 0.00 N ATOM 1111 CA ASP A 69 8.508 13.047 6.561 1.00 0.00 C ATOM 1112 C ASP A 69 8.175 14.525 6.384 1.00 0.00 C ATOM 1113 O ASP A 69 8.689 15.379 7.108 1.00 0.00 O ATOM 1114 CB ASP A 69 9.549 12.620 5.525 1.00 0.00 C ATOM 1115 CG ASP A 69 10.966 12.934 5.967 1.00 0.00 C ATOM 1116 OD1 ASP A 69 11.372 14.110 5.863 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.667 12.004 6.416 1.00 0.00 O ATOM 0 H ASP A 69 7.272 11.657 5.596 1.00 0.00 H new ATOM 0 HA ASP A 69 8.919 12.901 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.457 11.550 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.346 13.124 4.580 1.00 0.00 H new ATOM 1122 N SER A 70 7.311 14.822 5.419 1.00 0.00 N ATOM 1123 CA SER A 70 6.913 16.197 5.143 1.00 0.00 C ATOM 1124 C SER A 70 5.893 16.683 6.169 1.00 0.00 C ATOM 1125 O SER A 70 5.277 15.884 6.874 1.00 0.00 O ATOM 1126 CB SER A 70 6.329 16.310 3.733 1.00 0.00 C ATOM 1127 OG SER A 70 6.163 17.666 3.358 1.00 0.00 O ATOM 0 H SER A 70 6.873 14.127 4.814 1.00 0.00 H new ATOM 0 HA SER A 70 7.800 16.826 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.987 15.811 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.368 15.798 3.692 1.00 0.00 H new ATOM 0 HG SER A 70 5.790 17.712 2.453 1.00 0.00 H new ATOM 1133 N MET A 71 5.722 17.998 6.246 1.00 0.00 N ATOM 1134 CA MET A 71 4.776 18.591 7.185 1.00 0.00 C ATOM 1135 C MET A 71 5.123 18.210 8.620 1.00 0.00 C ATOM 1136 O MET A 71 4.238 17.936 9.430 1.00 0.00 O ATOM 1137 CB MET A 71 3.350 18.142 6.857 1.00 0.00 C ATOM 1138 CG MET A 71 2.759 18.837 5.640 1.00 0.00 C ATOM 1139 SD MET A 71 0.957 18.771 5.610 1.00 0.00 S ATOM 1140 CE MET A 71 0.624 19.371 3.955 1.00 0.00 C ATOM 0 H MET A 71 6.225 18.673 5.670 1.00 0.00 H new ATOM 0 HA MET A 71 4.840 19.675 7.090 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.347 17.065 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.711 18.331 7.719 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.081 19.878 5.629 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.151 18.373 4.735 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.452 19.388 3.784 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.025 20.379 3.846 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.096 18.712 3.227 1.00 0.00 H new ATOM 1150 N GLU A 72 6.416 18.198 8.928 1.00 0.00 N ATOM 1151 CA GLU A 72 6.879 17.849 10.265 1.00 0.00 C ATOM 1152 C GLU A 72 7.083 19.102 11.114 1.00 0.00 C ATOM 1153 O GLU A 72 7.552 20.128 10.620 1.00 0.00 O ATOM 1154 CB GLU A 72 8.185 17.055 10.188 1.00 0.00 C ATOM 1155 CG GLU A 72 7.979 15.554 10.078 1.00 0.00 C ATOM 1156 CD GLU A 72 7.725 14.901 11.422 1.00 0.00 C ATOM 1157 OE1 GLU A 72 6.559 14.893 11.867 1.00 0.00 O ATOM 1158 OE2 GLU A 72 8.694 14.399 12.031 1.00 0.00 O ATOM 0 H GLU A 72 7.161 18.426 8.270 1.00 0.00 H new ATOM 0 HA GLU A 72 6.114 17.231 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.759 17.398 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.782 17.267 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.136 15.354 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.859 15.103 9.619 1.00 0.00 H new ATOM 1165 N GLN A 73 6.726 19.009 12.391 1.00 0.00 N ATOM 1166 CA GLN A 73 6.867 20.135 13.306 1.00 0.00 C ATOM 1167 C GLN A 73 8.190 20.858 13.080 1.00 0.00 C ATOM 1168 O GLN A 73 8.223 22.079 12.929 1.00 0.00 O ATOM 1169 CB GLN A 73 6.778 19.655 14.756 1.00 0.00 C ATOM 1170 CG GLN A 73 5.374 19.250 15.178 1.00 0.00 C ATOM 1171 CD GLN A 73 4.496 20.444 15.500 1.00 0.00 C ATOM 1172 OE1 GLN A 73 4.514 21.452 14.794 1.00 0.00 O ATOM 1173 NE2 GLN A 73 3.720 20.335 16.573 1.00 0.00 N ATOM 0 H GLN A 73 6.337 18.166 12.815 1.00 0.00 H new ATOM 0 HA GLN A 73 6.053 20.833 13.110 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.448 18.806 14.891 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.132 20.448 15.415 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.912 18.668 14.380 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.434 18.601 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.737 19.481 17.130 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.107 21.106 16.840 1.00 0.00 H new ATOM 1182 N ALA A 74 9.279 20.097 13.053 1.00 0.00 N ATOM 1183 CA ALA A 74 10.604 20.666 12.843 1.00 0.00 C ATOM 1184 C ALA A 74 11.142 20.308 11.462 1.00 0.00 C ATOM 1185 O ALA A 74 11.117 19.145 11.057 1.00 0.00 O ATOM 1186 CB ALA A 74 11.563 20.188 13.923 1.00 0.00 C ATOM 0 H ALA A 74 9.269 19.084 13.174 1.00 0.00 H new ATOM 0 HA ALA A 74 10.519 21.751 12.903 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.548 20.622 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.194 20.499 14.901 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.634 19.101 13.891 1.00 0.00 H new ATOM 1192 N VAL A 75 11.627 21.315 10.741 1.00 0.00 N ATOM 1193 CA VAL A 75 12.170 21.104 9.404 1.00 0.00 C ATOM 1194 C VAL A 75 13.597 20.567 9.469 1.00 0.00 C ATOM 1195 O VAL A 75 14.495 21.222 9.999 1.00 0.00 O ATOM 1196 CB VAL A 75 12.162 22.408 8.585 1.00 0.00 C ATOM 1197 CG1 VAL A 75 12.778 22.181 7.212 1.00 0.00 C ATOM 1198 CG2 VAL A 75 10.746 22.950 8.460 1.00 0.00 C ATOM 0 H VAL A 75 11.655 22.283 11.060 1.00 0.00 H new ATOM 0 HA VAL A 75 11.530 20.370 8.914 1.00 0.00 H new ATOM 0 HB VAL A 75 12.765 23.149 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.763 23.114 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.808 21.842 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.205 21.424 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.759 23.872 7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.117 22.214 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.345 23.153 9.453 1.00 0.00 H new ATOM 1208 N LEU A 76 13.797 19.372 8.926 1.00 0.00 N ATOM 1209 CA LEU A 76 15.114 18.745 8.921 1.00 0.00 C ATOM 1210 C LEU A 76 16.049 19.450 7.942 1.00 0.00 C ATOM 1211 O LEU A 76 15.599 20.096 6.995 1.00 0.00 O ATOM 1212 CB LEU A 76 14.995 17.264 8.554 1.00 0.00 C ATOM 1213 CG LEU A 76 14.765 16.302 9.719 1.00 0.00 C ATOM 1214 CD1 LEU A 76 14.130 15.010 9.226 1.00 0.00 C ATOM 1215 CD2 LEU A 76 16.074 16.013 10.440 1.00 0.00 C ATOM 0 H LEU A 76 13.064 18.817 8.483 1.00 0.00 H new ATOM 0 HA LEU A 76 15.534 18.832 9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.173 17.150 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.906 16.964 8.035 1.00 0.00 H new ATOM 0 HG LEU A 76 14.081 16.774 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.973 14.337 10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.172 15.232 8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.789 14.535 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.890 15.326 11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 76 16.781 15.562 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 16.489 16.943 10.827 1.00 0.00 H new ATOM 1227 N ASP A 77 17.350 19.319 8.176 1.00 0.00 N ATOM 1228 CA ASP A 77 18.347 19.939 7.312 1.00 0.00 C ATOM 1229 C ASP A 77 18.511 19.152 6.015 1.00 0.00 C ATOM 1230 O ASP A 77 18.091 17.998 5.921 1.00 0.00 O ATOM 1231 CB ASP A 77 19.691 20.034 8.037 1.00 0.00 C ATOM 1232 CG ASP A 77 20.612 21.068 7.417 1.00 0.00 C ATOM 1233 OD1 ASP A 77 21.137 20.809 6.316 1.00 0.00 O ATOM 1234 OD2 ASP A 77 20.805 22.135 8.036 1.00 0.00 O ATOM 0 H ASP A 77 17.738 18.789 8.956 1.00 0.00 H new ATOM 0 HA ASP A 77 18.002 20.943 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.519 20.286 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.179 19.060 8.020 1.00 0.00 H new ATOM 1239 N SER A 78 19.120 19.785 5.018 1.00 0.00 N ATOM 1240 CA SER A 78 19.333 19.146 3.725 1.00 0.00 C ATOM 1241 C SER A 78 20.759 18.611 3.611 1.00 0.00 C ATOM 1242 O SER A 78 21.574 18.791 4.515 1.00 0.00 O ATOM 1243 CB SER A 78 19.056 20.135 2.591 1.00 0.00 C ATOM 1244 OG SER A 78 19.866 21.291 2.715 1.00 0.00 O ATOM 0 H SER A 78 19.475 20.739 5.081 1.00 0.00 H new ATOM 0 HA SER A 78 18.641 18.308 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.246 19.655 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.004 20.421 2.602 1.00 0.00 H new ATOM 0 HG SER A 78 19.672 21.907 1.978 1.00 0.00 H new ATOM 1250 N MET A 79 21.048 17.954 2.494 1.00 0.00 N ATOM 1251 CA MET A 79 22.375 17.393 2.260 1.00 0.00 C ATOM 1252 C MET A 79 23.411 18.500 2.096 1.00 0.00 C ATOM 1253 O MET A 79 23.065 19.671 1.953 1.00 0.00 O ATOM 1254 CB MET A 79 22.364 16.500 1.019 1.00 0.00 C ATOM 1255 CG MET A 79 23.606 15.635 0.880 1.00 0.00 C ATOM 1256 SD MET A 79 23.404 14.317 -0.332 1.00 0.00 S ATOM 1257 CE MET A 79 23.108 12.914 0.740 1.00 0.00 C ATOM 0 H MET A 79 20.383 17.796 1.737 1.00 0.00 H new ATOM 0 HA MET A 79 22.646 16.791 3.128 1.00 0.00 H new ATOM 0 HB2 MET A 79 21.485 15.856 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 79 22.266 17.126 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 79 24.450 16.262 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 79 23.850 15.198 1.848 1.00 0.00 H new ATOM 0 HE1 MET A 79 22.963 12.018 0.136 1.00 0.00 H new ATOM 0 HE2 MET A 79 23.965 12.773 1.399 1.00 0.00 H new ATOM 0 HE3 MET A 79 22.216 13.096 1.339 1.00 0.00 H new ATOM 1267 N GLY A 80 24.686 18.121 2.118 1.00 0.00 N ATOM 1268 CA GLY A 80 25.752 19.093 1.972 1.00 0.00 C ATOM 1269 C GLY A 80 26.995 18.714 2.754 1.00 0.00 C ATOM 1270 O GLY A 80 27.442 19.463 3.622 1.00 0.00 O ATOM 0 H GLY A 80 24.999 17.157 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.007 19.192 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.399 20.068 2.308 1.00 0.00 H new ATOM 1274 N SER A 81 27.552 17.547 2.447 1.00 0.00 N ATOM 1275 CA SER A 81 28.747 17.068 3.133 1.00 0.00 C ATOM 1276 C SER A 81 29.911 16.919 2.156 1.00 0.00 C ATOM 1277 O SER A 81 29.723 16.954 0.940 1.00 0.00 O ATOM 1278 CB SER A 81 28.466 15.729 3.816 1.00 0.00 C ATOM 1279 OG SER A 81 29.527 15.365 4.682 1.00 0.00 O ATOM 0 H SER A 81 27.196 16.916 1.729 1.00 0.00 H new ATOM 0 HA SER A 81 29.021 17.803 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 81 27.537 15.794 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 81 28.326 14.955 3.062 1.00 0.00 H new ATOM 0 HG SER A 81 29.322 14.506 5.108 1.00 0.00 H new ATOM 1285 N GLY A 82 31.113 16.753 2.699 1.00 0.00 N ATOM 1286 CA GLY A 82 32.290 16.602 1.863 1.00 0.00 C ATOM 1287 C GLY A 82 32.127 15.508 0.826 1.00 0.00 C ATOM 1288 O GLY A 82 31.514 14.474 1.092 1.00 0.00 O ATOM 0 H GLY A 82 31.293 16.720 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 82 32.499 17.547 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 82 33.152 16.378 2.491 1.00 0.00 H new ATOM 1292 N LYS A 83 32.676 15.736 -0.363 1.00 0.00 N ATOM 1293 CA LYS A 83 32.590 14.764 -1.446 1.00 0.00 C ATOM 1294 C LYS A 83 33.865 14.764 -2.282 1.00 0.00 C ATOM 1295 O LYS A 83 34.530 15.792 -2.415 1.00 0.00 O ATOM 1296 CB LYS A 83 31.383 15.067 -2.337 1.00 0.00 C ATOM 1297 CG LYS A 83 30.049 14.734 -1.690 1.00 0.00 C ATOM 1298 CD LYS A 83 29.760 13.243 -1.744 1.00 0.00 C ATOM 1299 CE LYS A 83 29.070 12.857 -3.043 1.00 0.00 C ATOM 1300 NZ LYS A 83 27.748 13.527 -3.189 1.00 0.00 N ATOM 0 H LYS A 83 33.186 16.587 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 83 32.468 13.776 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 83 31.394 16.124 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 83 31.477 14.504 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 83 30.054 15.067 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 83 29.252 15.279 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 83 30.692 12.687 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 83 29.131 12.962 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 83 29.707 13.124 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 83 28.935 11.776 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 27.128 12.944 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 27.314 13.646 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 27.878 14.459 -3.631 1.00 0.00 H new ATOM 1314 N SER A 84 34.201 13.607 -2.843 1.00 0.00 N ATOM 1315 CA SER A 84 35.399 13.476 -3.663 1.00 0.00 C ATOM 1316 C SER A 84 35.130 13.929 -5.095 1.00 0.00 C ATOM 1317 O SER A 84 34.019 13.785 -5.605 1.00 0.00 O ATOM 1318 CB SER A 84 35.888 12.025 -3.659 1.00 0.00 C ATOM 1319 OG SER A 84 36.718 11.770 -2.539 1.00 0.00 O ATOM 0 H SER A 84 33.661 12.747 -2.745 1.00 0.00 H new ATOM 0 HA SER A 84 36.173 14.115 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 84 35.033 11.350 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 84 36.438 11.821 -4.577 1.00 0.00 H new ATOM 0 HG SER A 84 37.016 10.837 -2.558 1.00 0.00 H new ATOM 1325 N GLY A 85 36.154 14.479 -5.738 1.00 0.00 N ATOM 1326 CA GLY A 85 36.009 14.946 -7.104 1.00 0.00 C ATOM 1327 C GLY A 85 36.258 13.849 -8.122 1.00 0.00 C ATOM 1328 O GLY A 85 37.102 12.974 -7.929 1.00 0.00 O ATOM 0 H GLY A 85 37.083 14.610 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.004 15.345 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.705 15.766 -7.280 1.00 0.00 H new ATOM 1332 N PRO A 86 35.510 13.889 -9.234 1.00 0.00 N ATOM 1333 CA PRO A 86 35.634 12.898 -10.306 1.00 0.00 C ATOM 1334 C PRO A 86 36.948 13.030 -11.068 1.00 0.00 C ATOM 1335 O PRO A 86 37.382 14.136 -11.390 1.00 0.00 O ATOM 1336 CB PRO A 86 34.449 13.216 -11.224 1.00 0.00 C ATOM 1337 CG PRO A 86 34.157 14.656 -10.978 1.00 0.00 C ATOM 1338 CD PRO A 86 34.484 14.903 -9.531 1.00 0.00 C ATOM 0 HA PRO A 86 35.630 11.879 -9.920 1.00 0.00 H new ATOM 0 HB2 PRO A 86 34.698 13.035 -12.270 1.00 0.00 H new ATOM 0 HB3 PRO A 86 33.587 12.591 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 86 34.757 15.293 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 86 33.112 14.883 -11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 86 34.860 15.914 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 86 33.607 14.785 -8.895 1.00 0.00 H new ATOM 1346 N SER A 87 37.577 11.895 -11.356 1.00 0.00 N ATOM 1347 CA SER A 87 38.843 11.884 -12.078 1.00 0.00 C ATOM 1348 C SER A 87 38.637 12.258 -13.543 1.00 0.00 C ATOM 1349 O SER A 87 39.342 13.109 -14.085 1.00 0.00 O ATOM 1350 CB SER A 87 39.501 10.506 -11.978 1.00 0.00 C ATOM 1351 OG SER A 87 39.652 10.111 -10.626 1.00 0.00 O ATOM 0 H SER A 87 37.230 10.971 -11.100 1.00 0.00 H new ATOM 0 HA SER A 87 39.499 12.625 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 87 38.896 9.771 -12.510 1.00 0.00 H new ATOM 0 HB3 SER A 87 40.476 10.529 -12.465 1.00 0.00 H new ATOM 0 HG SER A 87 40.073 9.227 -10.589 1.00 0.00 H new ATOM 1357 N SER A 88 37.665 11.612 -14.180 1.00 0.00 N ATOM 1358 CA SER A 88 37.367 11.871 -15.583 1.00 0.00 C ATOM 1359 C SER A 88 36.132 12.757 -15.723 1.00 0.00 C ATOM 1360 O SER A 88 35.287 12.808 -14.830 1.00 0.00 O ATOM 1361 CB SER A 88 37.151 10.556 -16.332 1.00 0.00 C ATOM 1362 OG SER A 88 35.927 9.949 -15.955 1.00 0.00 O ATOM 0 H SER A 88 37.071 10.906 -13.746 1.00 0.00 H new ATOM 0 HA SER A 88 38.219 12.393 -16.018 1.00 0.00 H new ATOM 0 HB2 SER A 88 37.153 10.741 -17.406 1.00 0.00 H new ATOM 0 HB3 SER A 88 37.977 9.876 -16.124 1.00 0.00 H new ATOM 0 HG SER A 88 35.812 9.111 -16.449 1.00 0.00 H new ATOM 1368 N GLY A 89 36.036 13.455 -16.849 1.00 0.00 N ATOM 1369 CA GLY A 89 34.904 14.331 -17.086 1.00 0.00 C ATOM 1370 C GLY A 89 34.917 14.936 -18.476 1.00 0.00 C ATOM 1371 O GLY A 89 35.069 16.148 -18.630 1.00 0.00 O ATOM 0 H GLY A 89 36.723 13.430 -17.603 1.00 0.00 H new ATOM 0 HA2 GLY A 89 33.980 13.770 -16.946 1.00 0.00 H new ATOM 0 HA3 GLY A 89 34.907 15.131 -16.345 1.00 0.00 H new TER 1375 GLY A 89