USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 18 THR OG1 : rot -170:sc= 0.036 USER MOD Set 1.2: A 21 ASN : amide:sc= -0.822 X(o=-0.79,f=-0.49) USER MOD Set 2.1: A 3 TYR OH : rot -120:sc= 0.0942 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.624 K(o=0.72,f=-0.47) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 102:sc= 1.08 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -116:sc= 0.178 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.216 (180deg=-0.586) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00384 USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0.774 (180deg=0.764) USER MOD Single : A 16 CYS SG : rot -100:sc= -0.896 USER MOD Single : A 19 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.33) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -0.687 (180deg=-0.82) USER MOD Single : A 29 SER OG : rot -11:sc= 1.04 USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.99! USER MOD Single : A 34 SER OG : rot 83:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.14) USER MOD Single : A 38 ASN : amide:sc= -0.0897 K(o=-0.09,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -145:sc= -0.437 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 58 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.3!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc=-0.00405 (180deg=-0.0573) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 9.031 11.084 3.237 1.00 0.00 N ATOM 2 CA GLY A -1 9.662 11.812 2.153 1.00 0.00 C ATOM 3 C GLY A -1 10.568 10.911 1.386 1.00 0.00 C ATOM 4 O GLY A -1 10.820 9.786 1.833 1.00 0.00 O ATOM 0 H1 GLY A -1 8.003 11.050 3.080 1.00 0.00 H new ATOM 0 H2 GLY A -1 9.409 10.116 3.271 1.00 0.00 H new ATOM 0 H3 GLY A -1 9.228 11.564 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.901 12.224 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A -1 10.227 12.654 2.552 1.00 0.00 H new ATOM 8 N SER A 0 11.069 11.397 0.248 1.00 0.00 N ATOM 9 CA SER A 0 11.936 10.632 -0.642 1.00 0.00 C ATOM 10 C SER A 0 11.205 9.388 -1.192 1.00 0.00 C ATOM 11 O SER A 0 11.200 8.307 -0.584 1.00 0.00 O ATOM 12 CB SER A 0 13.256 10.269 0.056 1.00 0.00 C ATOM 13 OG SER A 0 13.896 11.446 0.558 1.00 0.00 O ATOM 0 H SER A 0 10.880 12.343 -0.082 1.00 0.00 H new ATOM 0 HA SER A 0 12.188 11.258 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 0 13.063 9.575 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 0 13.917 9.759 -0.645 1.00 0.00 H new ATOM 0 HG SER A 0 14.734 11.199 1.001 1.00 0.00 H new ATOM 19 N MET A 1 10.559 9.570 -2.312 1.00 0.00 N ATOM 20 CA MET A 1 9.751 8.542 -2.934 1.00 0.00 C ATOM 21 C MET A 1 9.768 8.802 -4.432 1.00 0.00 C ATOM 22 O MET A 1 10.179 9.903 -4.836 1.00 0.00 O ATOM 23 CB MET A 1 8.305 8.650 -2.387 1.00 0.00 C ATOM 24 CG MET A 1 7.322 7.618 -2.918 1.00 0.00 C ATOM 25 SD MET A 1 5.640 7.907 -2.348 1.00 0.00 S ATOM 26 CE MET A 1 4.763 6.615 -3.226 1.00 0.00 C ATOM 0 H MET A 1 10.576 10.448 -2.830 1.00 0.00 H new ATOM 0 HA MET A 1 10.133 7.544 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.340 8.567 -1.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.921 9.644 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.340 7.632 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.641 6.623 -2.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.703 6.661 -2.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.890 6.754 -4.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.162 5.643 -2.936 1.00 0.00 H new ATOM 36 N SER A 2 9.365 7.802 -5.247 1.00 0.00 N ATOM 37 CA SER A 2 9.239 7.948 -6.700 1.00 0.00 C ATOM 38 C SER A 2 8.528 9.233 -7.018 1.00 0.00 C ATOM 39 O SER A 2 9.059 10.075 -7.727 1.00 0.00 O ATOM 40 CB SER A 2 8.482 6.751 -7.257 1.00 0.00 C ATOM 41 OG SER A 2 9.069 5.543 -6.789 1.00 0.00 O ATOM 0 H SER A 2 9.119 6.872 -4.907 1.00 0.00 H new ATOM 0 HA SER A 2 10.226 7.983 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.436 6.798 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.499 6.775 -8.347 1.00 0.00 H new ATOM 0 HG SER A 2 8.575 4.778 -7.151 1.00 0.00 H new ATOM 47 N TYR A 3 7.361 9.392 -6.458 1.00 0.00 N ATOM 48 CA TYR A 3 6.650 10.628 -6.547 1.00 0.00 C ATOM 49 C TYR A 3 6.080 11.004 -5.226 1.00 0.00 C ATOM 50 O TYR A 3 5.011 10.522 -4.831 1.00 0.00 O ATOM 51 CB TYR A 3 5.554 10.642 -7.607 1.00 0.00 C ATOM 52 CG TYR A 3 6.051 10.634 -9.018 1.00 0.00 C ATOM 53 CD1 TYR A 3 5.513 9.784 -9.951 1.00 0.00 C ATOM 54 CD2 TYR A 3 7.063 11.493 -9.415 1.00 0.00 C ATOM 55 CE1 TYR A 3 5.961 9.786 -11.243 1.00 0.00 C ATOM 56 CE2 TYR A 3 7.520 11.499 -10.701 1.00 0.00 C ATOM 57 CZ TYR A 3 6.967 10.648 -11.614 1.00 0.00 C ATOM 58 OH TYR A 3 7.421 10.658 -12.906 1.00 0.00 O ATOM 0 H TYR A 3 6.880 8.666 -5.928 1.00 0.00 H new ATOM 0 HA TYR A 3 7.389 11.366 -6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.911 9.775 -7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.935 11.527 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.725 9.104 -9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.498 12.170 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.527 9.114 -11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.313 12.172 -10.994 1.00 0.00 H new ATOM 0 HH TYR A 3 8.376 10.439 -12.919 1.00 0.00 H new ATOM 68 N ASP A 4 6.815 11.784 -4.497 1.00 0.00 N ATOM 69 CA ASP A 4 6.308 12.337 -3.317 1.00 0.00 C ATOM 70 C ASP A 4 5.660 13.638 -3.729 1.00 0.00 C ATOM 71 O ASP A 4 6.224 14.416 -4.528 1.00 0.00 O ATOM 72 CB ASP A 4 7.404 12.543 -2.256 1.00 0.00 C ATOM 73 CG ASP A 4 8.322 13.720 -2.491 1.00 0.00 C ATOM 74 OD1 ASP A 4 8.136 14.769 -1.822 1.00 0.00 O ATOM 75 OD2 ASP A 4 9.247 13.618 -3.322 1.00 0.00 O ATOM 0 H ASP A 4 7.777 12.044 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 4 5.589 11.670 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.926 12.665 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.009 11.638 -2.202 1.00 0.00 H new ATOM 80 N TYR A 5 4.487 13.857 -3.272 1.00 0.00 N ATOM 81 CA TYR A 5 3.734 14.998 -3.681 1.00 0.00 C ATOM 82 C TYR A 5 3.769 16.061 -2.601 1.00 0.00 C ATOM 83 O TYR A 5 2.938 16.914 -2.586 1.00 0.00 O ATOM 84 CB TYR A 5 2.272 14.599 -3.993 1.00 0.00 C ATOM 85 CG TYR A 5 2.117 13.486 -5.026 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.846 12.187 -4.617 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.242 13.727 -6.402 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.706 11.160 -5.526 1.00 0.00 C ATOM 89 CE2 TYR A 5 2.100 12.695 -7.317 1.00 0.00 C ATOM 90 CZ TYR A 5 1.832 11.414 -6.870 1.00 0.00 C ATOM 91 OH TYR A 5 1.695 10.380 -7.775 1.00 0.00 O ATOM 0 H TYR A 5 4.012 13.253 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 5 4.182 15.403 -4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.791 14.285 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.738 15.481 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.743 11.976 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.451 14.727 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.498 10.158 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.198 12.891 -8.375 1.00 0.00 H new ATOM 0 HH TYR A 5 1.811 10.724 -8.685 1.00 0.00 H new ATOM 101 N SER A 6 4.776 16.024 -1.745 1.00 0.00 N ATOM 102 CA SER A 6 4.916 16.968 -0.622 1.00 0.00 C ATOM 103 C SER A 6 4.863 18.440 -1.102 1.00 0.00 C ATOM 104 O SER A 6 4.071 19.230 -0.597 1.00 0.00 O ATOM 105 CB SER A 6 6.230 16.686 0.086 1.00 0.00 C ATOM 106 OG SER A 6 6.392 15.281 0.283 1.00 0.00 O ATOM 0 H SER A 6 5.530 15.339 -1.800 1.00 0.00 H new ATOM 0 HA SER A 6 4.082 16.827 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.060 17.076 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.252 17.200 1.047 1.00 0.00 H new ATOM 0 HG SER A 6 7.010 14.926 -0.389 1.00 0.00 H new ATOM 112 N SER A 7 5.657 18.776 -2.118 1.00 0.00 N ATOM 113 CA SER A 7 5.663 20.122 -2.695 1.00 0.00 C ATOM 114 C SER A 7 4.305 20.454 -3.332 1.00 0.00 C ATOM 115 O SER A 7 3.852 21.600 -3.364 1.00 0.00 O ATOM 116 CB SER A 7 6.765 20.206 -3.753 1.00 0.00 C ATOM 117 OG SER A 7 8.052 20.019 -3.163 1.00 0.00 O ATOM 0 H SER A 7 6.309 18.130 -2.562 1.00 0.00 H new ATOM 0 HA SER A 7 5.850 20.845 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.598 19.449 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.725 21.176 -4.249 1.00 0.00 H new ATOM 0 HG SER A 7 8.741 20.075 -3.857 1.00 0.00 H new ATOM 123 N LEU A 8 3.654 19.430 -3.780 1.00 0.00 N ATOM 124 CA LEU A 8 2.406 19.539 -4.460 1.00 0.00 C ATOM 125 C LEU A 8 1.290 19.737 -3.434 1.00 0.00 C ATOM 126 O LEU A 8 0.386 20.544 -3.646 1.00 0.00 O ATOM 127 CB LEU A 8 2.244 18.274 -5.337 1.00 0.00 C ATOM 128 CG LEU A 8 1.151 18.228 -6.410 1.00 0.00 C ATOM 129 CD1 LEU A 8 1.373 17.026 -7.280 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.185 18.073 -5.785 1.00 0.00 C ATOM 0 H LEU A 8 3.985 18.470 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 8 2.360 20.406 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.197 18.100 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.077 17.432 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 8 1.193 19.154 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.600 16.984 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.352 17.096 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.329 16.123 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.949 18.042 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.213 17.146 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.376 18.916 -5.121 1.00 0.00 H new ATOM 142 N LEU A 9 1.381 19.020 -2.353 1.00 0.00 N ATOM 143 CA LEU A 9 0.484 19.087 -1.240 1.00 0.00 C ATOM 144 C LEU A 9 0.610 20.421 -0.532 1.00 0.00 C ATOM 145 O LEU A 9 -0.388 21.022 -0.148 1.00 0.00 O ATOM 146 CB LEU A 9 0.829 17.943 -0.293 1.00 0.00 C ATOM 147 CG LEU A 9 0.480 16.525 -0.756 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.970 15.508 0.253 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.021 16.372 -0.976 1.00 0.00 C ATOM 0 H LEU A 9 2.125 18.335 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.547 18.996 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.900 17.980 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.322 18.124 0.655 1.00 0.00 H new ATOM 0 HG LEU A 9 0.980 16.348 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.715 14.505 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.052 15.592 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.496 15.694 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.239 15.356 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.548 16.573 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.351 17.078 -1.738 1.00 0.00 H new ATOM 161 N GLY A 10 1.834 20.885 -0.400 1.00 0.00 N ATOM 162 CA GLY A 10 2.108 22.144 0.247 1.00 0.00 C ATOM 163 C GLY A 10 1.422 23.313 -0.416 1.00 0.00 C ATOM 164 O GLY A 10 0.771 24.120 0.257 1.00 0.00 O ATOM 0 H GLY A 10 2.664 20.399 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.790 22.087 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.184 22.317 0.251 1.00 0.00 H new ATOM 168 N LYS A 11 1.494 23.382 -1.747 1.00 0.00 N ATOM 169 CA LYS A 11 0.933 24.462 -2.450 1.00 0.00 C ATOM 170 C LYS A 11 -0.613 24.381 -2.402 1.00 0.00 C ATOM 171 O LYS A 11 -1.300 25.367 -2.612 1.00 0.00 O ATOM 172 CB LYS A 11 1.515 24.476 -3.875 1.00 0.00 C ATOM 173 CG LYS A 11 1.126 23.351 -4.808 1.00 0.00 C ATOM 174 CD LYS A 11 -0.177 23.691 -5.498 1.00 0.00 C ATOM 175 CE LYS A 11 -0.624 22.608 -6.469 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.060 21.382 -5.782 1.00 0.00 N ATOM 0 H LYS A 11 1.946 22.681 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 11 1.192 25.414 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.226 25.416 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.602 24.482 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.910 23.191 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.021 22.421 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.952 23.844 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.064 24.632 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.442 22.988 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.197 22.370 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.902 20.562 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.515 21.263 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.072 21.453 -5.554 1.00 0.00 H new ATOM 190 N ILE A 12 -1.143 23.181 -2.098 1.00 0.00 N ATOM 191 CA ILE A 12 -2.576 22.985 -1.929 1.00 0.00 C ATOM 192 C ILE A 12 -3.025 23.690 -0.670 1.00 0.00 C ATOM 193 O ILE A 12 -4.003 24.420 -0.674 1.00 0.00 O ATOM 194 CB ILE A 12 -2.950 21.474 -1.807 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.604 20.742 -3.087 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.427 21.290 -1.459 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.927 19.263 -3.074 1.00 0.00 C ATOM 0 H ILE A 12 -0.588 22.335 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.072 23.391 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.366 21.047 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.139 21.210 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.539 20.866 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.653 20.226 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.640 21.776 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.043 21.736 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.646 18.821 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.372 18.776 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.996 19.125 -2.911 1.00 0.00 H new ATOM 209 N THR A 13 -2.282 23.489 0.379 1.00 0.00 N ATOM 210 CA THR A 13 -2.588 24.032 1.676 1.00 0.00 C ATOM 211 C THR A 13 -2.606 25.563 1.667 1.00 0.00 C ATOM 212 O THR A 13 -3.437 26.192 2.321 1.00 0.00 O ATOM 213 CB THR A 13 -1.543 23.551 2.673 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.407 22.124 2.542 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.968 23.887 4.086 1.00 0.00 C ATOM 0 H THR A 13 -1.428 22.932 0.359 1.00 0.00 H new ATOM 0 HA THR A 13 -3.583 23.688 1.959 1.00 0.00 H new ATOM 0 HB THR A 13 -0.593 24.045 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.735 21.800 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.210 23.537 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.082 24.967 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.918 23.400 4.306 1.00 0.00 H new ATOM 223 N GLU A 14 -1.723 26.141 0.913 1.00 0.00 N ATOM 224 CA GLU A 14 -1.592 27.564 0.892 1.00 0.00 C ATOM 225 C GLU A 14 -2.488 28.255 -0.132 1.00 0.00 C ATOM 226 O GLU A 14 -2.707 29.461 -0.053 1.00 0.00 O ATOM 227 CB GLU A 14 -0.153 27.925 0.756 1.00 0.00 C ATOM 228 CG GLU A 14 0.645 27.524 1.984 1.00 0.00 C ATOM 229 CD GLU A 14 2.116 27.743 1.848 1.00 0.00 C ATOM 230 OE1 GLU A 14 2.561 28.911 1.868 1.00 0.00 O ATOM 231 OE2 GLU A 14 2.868 26.754 1.761 1.00 0.00 O ATOM 0 H GLU A 14 -1.077 25.644 0.299 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.958 27.947 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.263 27.435 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.061 28.999 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.281 28.089 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.462 26.470 2.196 1.00 0.00 H new ATOM 238 N LYS A 15 -3.005 27.511 -1.086 1.00 0.00 N ATOM 239 CA LYS A 15 -3.905 28.049 -2.045 1.00 0.00 C ATOM 240 C LYS A 15 -5.330 27.784 -1.643 1.00 0.00 C ATOM 241 O LYS A 15 -6.173 28.694 -1.593 1.00 0.00 O ATOM 242 CB LYS A 15 -3.649 27.378 -3.369 1.00 0.00 C ATOM 243 CG LYS A 15 -3.017 28.250 -4.409 1.00 0.00 C ATOM 244 CD LYS A 15 -1.649 28.716 -3.969 1.00 0.00 C ATOM 245 CE LYS A 15 -1.034 29.627 -5.017 1.00 0.00 C ATOM 246 NZ LYS A 15 -1.877 30.821 -5.313 1.00 0.00 N ATOM 0 H LYS A 15 -2.804 26.518 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.750 29.126 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.007 26.513 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.595 27.002 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.933 27.701 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.654 29.113 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.727 29.245 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.002 27.855 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.053 29.957 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.877 29.062 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.401 31.415 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.799 30.512 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.020 31.370 -4.441 1.00 0.00 H new ATOM 260 N CYS A 16 -5.579 26.561 -1.315 1.00 0.00 N ATOM 261 CA CYS A 16 -6.860 26.080 -1.089 1.00 0.00 C ATOM 262 C CYS A 16 -7.042 25.861 0.382 1.00 0.00 C ATOM 263 O CYS A 16 -7.984 26.343 0.979 1.00 0.00 O ATOM 264 CB CYS A 16 -6.971 24.762 -1.818 1.00 0.00 C ATOM 265 SG CYS A 16 -6.605 24.836 -3.581 1.00 0.00 S ATOM 0 H CYS A 16 -4.851 25.856 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.619 26.780 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.294 24.047 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.982 24.375 -1.688 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.717 24.869 -4.254 1.00 0.00 H new ATOM 271 N GLY A 17 -6.137 25.127 0.964 1.00 0.00 N ATOM 272 CA GLY A 17 -6.233 24.840 2.340 1.00 0.00 C ATOM 273 C GLY A 17 -6.115 23.386 2.616 1.00 0.00 C ATOM 274 O GLY A 17 -5.254 22.948 3.368 1.00 0.00 O ATOM 0 H GLY A 17 -5.328 24.722 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.450 25.375 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.187 25.205 2.720 1.00 0.00 H new ATOM 278 N THR A 18 -6.964 22.641 1.985 1.00 0.00 N ATOM 279 CA THR A 18 -7.061 21.211 2.171 1.00 0.00 C ATOM 280 C THR A 18 -7.365 20.561 0.842 1.00 0.00 C ATOM 281 O THR A 18 -7.545 21.265 -0.162 1.00 0.00 O ATOM 282 CB THR A 18 -8.210 20.892 3.147 1.00 0.00 C ATOM 283 OG1 THR A 18 -9.436 21.465 2.648 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.906 21.454 4.519 1.00 0.00 C ATOM 0 H THR A 18 -7.630 23.010 1.307 1.00 0.00 H new ATOM 0 HA THR A 18 -6.120 20.835 2.572 1.00 0.00 H new ATOM 0 HB THR A 18 -8.317 19.810 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.131 21.402 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.726 21.221 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.985 21.011 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.787 22.535 4.451 1.00 0.00 H new ATOM 292 N GLN A 19 -7.460 19.244 0.827 1.00 0.00 N ATOM 293 CA GLN A 19 -7.790 18.507 -0.388 1.00 0.00 C ATOM 294 C GLN A 19 -9.233 18.735 -0.744 1.00 0.00 C ATOM 295 O GLN A 19 -9.625 18.693 -1.899 1.00 0.00 O ATOM 296 CB GLN A 19 -7.511 17.016 -0.237 1.00 0.00 C ATOM 297 CG GLN A 19 -6.044 16.653 -0.215 1.00 0.00 C ATOM 298 CD GLN A 19 -5.285 17.084 1.030 1.00 0.00 C ATOM 299 OE1 GLN A 19 -5.235 16.357 2.017 1.00 0.00 O ATOM 300 NE2 GLN A 19 -4.648 18.232 0.975 1.00 0.00 N ATOM 0 H GLN A 19 -7.313 18.655 1.647 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.154 18.878 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.973 16.664 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.992 16.484 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.953 15.572 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.563 17.099 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.712 18.811 0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.089 18.544 1.769 1.00 0.00 H new ATOM 309 N TYR A 20 -9.992 18.979 0.269 1.00 0.00 N ATOM 310 CA TYR A 20 -11.405 19.318 0.154 1.00 0.00 C ATOM 311 C TYR A 20 -11.547 20.589 -0.633 1.00 0.00 C ATOM 312 O TYR A 20 -12.265 20.653 -1.623 1.00 0.00 O ATOM 313 CB TYR A 20 -11.989 19.569 1.527 1.00 0.00 C ATOM 314 CG TYR A 20 -13.492 19.706 1.533 1.00 0.00 C ATOM 315 CD1 TYR A 20 -14.108 20.944 1.644 1.00 0.00 C ATOM 316 CD2 TYR A 20 -14.287 18.593 1.425 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.489 21.054 1.652 1.00 0.00 C ATOM 318 CE2 TYR A 20 -15.659 18.687 1.430 1.00 0.00 C ATOM 319 CZ TYR A 20 -16.258 19.915 1.545 1.00 0.00 C ATOM 320 OH TYR A 20 -17.640 20.003 1.541 1.00 0.00 O ATOM 0 H TYR A 20 -9.657 18.953 1.232 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.922 18.493 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.705 18.750 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.549 20.477 1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.502 21.835 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.825 17.621 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.958 22.023 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.263 17.796 1.344 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.025 19.106 1.457 1.00 0.00 H new ATOM 330 N ASN A 21 -10.864 21.605 -0.156 1.00 0.00 N ATOM 331 CA ASN A 21 -10.869 22.913 -0.789 1.00 0.00 C ATOM 332 C ASN A 21 -10.297 22.835 -2.188 1.00 0.00 C ATOM 333 O ASN A 21 -10.784 23.485 -3.099 1.00 0.00 O ATOM 334 CB ASN A 21 -10.068 23.913 0.020 1.00 0.00 C ATOM 335 CG ASN A 21 -10.625 24.200 1.400 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.824 24.061 1.654 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.776 24.675 2.272 1.00 0.00 N ATOM 0 H ASN A 21 -10.287 21.552 0.683 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.906 23.245 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.048 23.542 0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.012 24.849 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.097 24.946 3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.792 24.775 2.023 1.00 0.00 H new ATOM 344 N PHE A 22 -9.249 22.038 -2.324 1.00 0.00 N ATOM 345 CA PHE A 22 -8.586 21.745 -3.608 1.00 0.00 C ATOM 346 C PHE A 22 -9.610 21.250 -4.599 1.00 0.00 C ATOM 347 O PHE A 22 -9.705 21.746 -5.728 1.00 0.00 O ATOM 348 CB PHE A 22 -7.564 20.643 -3.374 1.00 0.00 C ATOM 349 CG PHE A 22 -6.651 20.319 -4.530 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.709 19.079 -5.144 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.730 21.240 -4.987 1.00 0.00 C ATOM 352 CE1 PHE A 22 -5.864 18.764 -6.189 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.882 20.932 -6.037 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.949 19.693 -6.636 1.00 0.00 C ATOM 0 H PHE A 22 -8.817 21.560 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.106 22.644 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.948 20.924 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.099 19.735 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.426 18.348 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.670 22.212 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.920 17.792 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.168 21.663 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.286 19.450 -7.454 1.00 0.00 H new ATOM 364 N ALA A 23 -10.376 20.271 -4.149 1.00 0.00 N ATOM 365 CA ALA A 23 -11.450 19.684 -4.932 1.00 0.00 C ATOM 366 C ALA A 23 -12.420 20.774 -5.385 1.00 0.00 C ATOM 367 O ALA A 23 -12.738 20.872 -6.564 1.00 0.00 O ATOM 368 CB ALA A 23 -12.194 18.660 -4.091 1.00 0.00 C ATOM 0 H ALA A 23 -10.269 19.858 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.025 19.195 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.999 18.221 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.504 17.876 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.613 19.147 -3.211 1.00 0.00 H new ATOM 374 N ILE A 24 -12.847 21.615 -4.437 1.00 0.00 N ATOM 375 CA ILE A 24 -13.764 22.722 -4.705 1.00 0.00 C ATOM 376 C ILE A 24 -13.212 23.651 -5.766 1.00 0.00 C ATOM 377 O ILE A 24 -13.869 23.935 -6.773 1.00 0.00 O ATOM 378 CB ILE A 24 -14.041 23.541 -3.436 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.658 22.615 -2.414 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.971 24.735 -3.745 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.230 23.307 -1.232 1.00 0.00 C ATOM 0 H ILE A 24 -12.564 21.545 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.693 22.276 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.113 23.958 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.444 22.033 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.900 21.909 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.153 25.300 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.499 25.382 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.918 24.366 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.652 22.571 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.445 23.867 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.013 23.993 -1.555 1.00 0.00 H new ATOM 393 N ALA A 25 -12.004 24.087 -5.543 1.00 0.00 N ATOM 394 CA ALA A 25 -11.305 24.999 -6.437 1.00 0.00 C ATOM 395 C ALA A 25 -11.187 24.420 -7.851 1.00 0.00 C ATOM 396 O ALA A 25 -11.432 25.115 -8.843 1.00 0.00 O ATOM 397 CB ALA A 25 -9.934 25.328 -5.869 1.00 0.00 C ATOM 0 H ALA A 25 -11.458 23.820 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.887 25.918 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.416 26.011 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.048 25.798 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.354 24.411 -5.765 1.00 0.00 H new ATOM 403 N MET A 26 -10.861 23.143 -7.934 1.00 0.00 N ATOM 404 CA MET A 26 -10.722 22.458 -9.217 1.00 0.00 C ATOM 405 C MET A 26 -12.064 22.099 -9.857 1.00 0.00 C ATOM 406 O MET A 26 -12.124 21.779 -11.042 1.00 0.00 O ATOM 407 CB MET A 26 -9.843 21.208 -9.093 1.00 0.00 C ATOM 408 CG MET A 26 -8.356 21.501 -8.974 1.00 0.00 C ATOM 409 SD MET A 26 -7.330 20.024 -9.149 1.00 0.00 S ATOM 410 CE MET A 26 -7.673 19.552 -10.855 1.00 0.00 C ATOM 0 H MET A 26 -10.685 22.550 -7.123 1.00 0.00 H new ATOM 0 HA MET A 26 -10.232 23.171 -9.880 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.161 20.639 -8.219 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.008 20.573 -9.964 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.072 22.227 -9.736 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.158 21.962 -8.006 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.981 18.768 -11.162 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.696 19.184 -10.932 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.549 20.419 -11.504 1.00 0.00 H new ATOM 420 N GLY A 27 -13.122 22.138 -9.080 1.00 0.00 N ATOM 421 CA GLY A 27 -14.438 21.809 -9.593 1.00 0.00 C ATOM 422 C GLY A 27 -14.699 20.323 -9.516 1.00 0.00 C ATOM 423 O GLY A 27 -15.574 19.789 -10.200 1.00 0.00 O ATOM 0 H GLY A 27 -13.101 22.393 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.198 22.344 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.522 22.142 -10.627 1.00 0.00 H new ATOM 427 N LEU A 28 -13.958 19.676 -8.665 1.00 0.00 N ATOM 428 CA LEU A 28 -14.008 18.249 -8.463 1.00 0.00 C ATOM 429 C LEU A 28 -14.725 17.929 -7.183 1.00 0.00 C ATOM 430 O LEU A 28 -15.059 18.819 -6.401 1.00 0.00 O ATOM 431 CB LEU A 28 -12.583 17.706 -8.350 1.00 0.00 C ATOM 432 CG LEU A 28 -11.730 17.741 -9.603 1.00 0.00 C ATOM 433 CD1 LEU A 28 -10.318 17.328 -9.271 1.00 0.00 C ATOM 434 CD2 LEU A 28 -12.295 16.788 -10.607 1.00 0.00 C ATOM 0 H LEU A 28 -13.275 20.141 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.532 17.798 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.067 18.270 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.641 16.672 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.725 18.753 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.709 17.355 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.902 18.014 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.321 16.316 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.686 16.808 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.295 15.780 -10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.316 17.080 -10.851 1.00 0.00 H new ATOM 446 N SER A 29 -14.951 16.672 -6.966 1.00 0.00 N ATOM 447 CA SER A 29 -15.499 16.223 -5.739 1.00 0.00 C ATOM 448 C SER A 29 -14.316 15.797 -4.902 1.00 0.00 C ATOM 449 O SER A 29 -13.312 15.298 -5.440 1.00 0.00 O ATOM 450 CB SER A 29 -16.461 15.055 -5.975 1.00 0.00 C ATOM 451 OG SER A 29 -17.162 14.641 -4.788 1.00 0.00 O ATOM 0 H SER A 29 -14.758 15.931 -7.640 1.00 0.00 H new ATOM 0 HA SER A 29 -16.078 17.001 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.188 15.341 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.901 14.208 -6.371 1.00 0.00 H new ATOM 0 HG SER A 29 -16.765 15.076 -4.005 1.00 0.00 H new ATOM 457 N GLU A 30 -14.424 15.983 -3.630 1.00 0.00 N ATOM 458 CA GLU A 30 -13.352 15.710 -2.697 1.00 0.00 C ATOM 459 C GLU A 30 -12.973 14.244 -2.684 1.00 0.00 C ATOM 460 O GLU A 30 -11.805 13.904 -2.558 1.00 0.00 O ATOM 461 CB GLU A 30 -13.656 16.245 -1.287 1.00 0.00 C ATOM 462 CG GLU A 30 -14.924 15.720 -0.637 1.00 0.00 C ATOM 463 CD GLU A 30 -16.200 16.146 -1.333 1.00 0.00 C ATOM 464 OE1 GLU A 30 -16.691 15.390 -2.200 1.00 0.00 O ATOM 465 OE2 GLU A 30 -16.715 17.239 -1.062 1.00 0.00 O ATOM 0 H GLU A 30 -15.273 16.336 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.479 16.258 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.813 16.006 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.720 17.332 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.883 14.631 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.957 16.061 0.398 1.00 0.00 H new ATOM 472 N ARG A 31 -13.953 13.380 -2.869 1.00 0.00 N ATOM 473 CA ARG A 31 -13.701 11.974 -2.959 1.00 0.00 C ATOM 474 C ARG A 31 -12.969 11.596 -4.235 1.00 0.00 C ATOM 475 O ARG A 31 -12.067 10.777 -4.212 1.00 0.00 O ATOM 476 CB ARG A 31 -14.952 11.187 -2.787 1.00 0.00 C ATOM 477 CG ARG A 31 -16.122 11.596 -3.604 1.00 0.00 C ATOM 478 CD ARG A 31 -17.232 10.696 -3.233 1.00 0.00 C ATOM 479 NE ARG A 31 -18.464 10.967 -3.981 1.00 0.00 N ATOM 480 CZ ARG A 31 -19.646 10.376 -3.764 1.00 0.00 C ATOM 481 NH1 ARG A 31 -19.762 9.412 -2.853 1.00 0.00 N ATOM 482 NH2 ARG A 31 -20.709 10.758 -4.461 1.00 0.00 N ATOM 0 H ARG A 31 -14.935 13.641 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.035 11.719 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.730 10.144 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.239 11.233 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.385 12.636 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.898 11.517 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.928 9.663 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.432 10.795 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.417 11.662 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.947 9.119 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.666 8.967 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.623 11.498 -5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.612 10.311 -4.300 1.00 0.00 H new ATOM 496 N THR A 32 -13.305 12.266 -5.319 1.00 0.00 N ATOM 497 CA THR A 32 -12.686 12.039 -6.619 1.00 0.00 C ATOM 498 C THR A 32 -11.220 12.463 -6.538 1.00 0.00 C ATOM 499 O THR A 32 -10.313 11.800 -7.065 1.00 0.00 O ATOM 500 CB THR A 32 -13.410 12.887 -7.674 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.816 12.786 -7.438 1.00 0.00 O ATOM 502 CG2 THR A 32 -13.102 12.389 -9.076 1.00 0.00 C ATOM 0 H THR A 32 -14.022 12.991 -5.327 1.00 0.00 H new ATOM 0 HA THR A 32 -12.753 10.986 -6.894 1.00 0.00 H new ATOM 0 HB THR A 32 -13.074 13.921 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.303 13.187 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.627 13.006 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.029 12.449 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.429 11.354 -9.175 1.00 0.00 H new ATOM 510 N VAL A 33 -11.004 13.554 -5.839 1.00 0.00 N ATOM 511 CA VAL A 33 -9.712 14.068 -5.544 1.00 0.00 C ATOM 512 C VAL A 33 -8.959 13.149 -4.696 1.00 0.00 C ATOM 513 O VAL A 33 -7.786 12.912 -4.932 1.00 0.00 O ATOM 514 CB VAL A 33 -9.861 15.422 -4.873 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.586 15.964 -4.364 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.278 16.316 -5.889 1.00 0.00 C ATOM 0 H VAL A 33 -11.760 14.119 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.153 14.181 -6.473 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.548 15.312 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.763 16.933 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.167 15.278 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.885 16.083 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.404 17.313 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.526 16.347 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.226 15.976 -6.306 1.00 0.00 H new ATOM 526 N SER A 34 -9.622 12.560 -3.767 1.00 0.00 N ATOM 527 CA SER A 34 -8.940 11.731 -2.876 1.00 0.00 C ATOM 528 C SER A 34 -8.595 10.364 -3.543 1.00 0.00 C ATOM 529 O SER A 34 -7.885 9.536 -2.980 1.00 0.00 O ATOM 530 CB SER A 34 -9.680 11.577 -1.552 1.00 0.00 C ATOM 531 OG SER A 34 -9.932 12.857 -0.949 1.00 0.00 O ATOM 0 H SER A 34 -10.627 12.643 -3.615 1.00 0.00 H new ATOM 0 HA SER A 34 -7.994 12.212 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.624 11.057 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.092 10.961 -0.872 1.00 0.00 H new ATOM 0 HG SER A 34 -10.737 13.252 -1.344 1.00 0.00 H new ATOM 537 N LEU A 35 -9.140 10.135 -4.729 1.00 0.00 N ATOM 538 CA LEU A 35 -8.784 8.981 -5.512 1.00 0.00 C ATOM 539 C LEU A 35 -7.596 9.339 -6.415 1.00 0.00 C ATOM 540 O LEU A 35 -6.545 8.663 -6.396 1.00 0.00 O ATOM 541 CB LEU A 35 -9.966 8.519 -6.370 1.00 0.00 C ATOM 542 CG LEU A 35 -11.257 8.166 -5.629 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.338 7.750 -6.608 1.00 0.00 C ATOM 544 CD2 LEU A 35 -11.026 7.079 -4.591 1.00 0.00 C ATOM 0 H LEU A 35 -9.834 10.743 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.512 8.166 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.191 9.305 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.651 7.645 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.591 9.060 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.248 7.503 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.540 8.570 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.004 6.878 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.965 6.854 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.654 6.180 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.293 7.423 -3.861 1.00 0.00 H new ATOM 556 N LYS A 36 -7.767 10.428 -7.187 1.00 0.00 N ATOM 557 CA LYS A 36 -6.776 10.918 -8.135 1.00 0.00 C ATOM 558 C LYS A 36 -5.497 11.374 -7.487 1.00 0.00 C ATOM 559 O LYS A 36 -4.413 11.002 -7.904 1.00 0.00 O ATOM 560 CB LYS A 36 -7.353 12.063 -8.913 1.00 0.00 C ATOM 561 CG LYS A 36 -8.233 11.649 -10.055 1.00 0.00 C ATOM 562 CD LYS A 36 -9.204 12.729 -10.324 1.00 0.00 C ATOM 563 CE LYS A 36 -10.122 12.410 -11.495 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.421 12.464 -12.800 1.00 0.00 N ATOM 0 H LYS A 36 -8.615 10.994 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.528 10.077 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.928 12.694 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.537 12.672 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.632 11.452 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.755 10.724 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.806 12.903 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.666 13.654 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.549 11.417 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.953 13.116 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.087 12.223 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.050 13.423 -12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.634 11.784 -12.800 1.00 0.00 H new ATOM 578 N LEU A 37 -5.635 12.150 -6.446 1.00 0.00 N ATOM 579 CA LEU A 37 -4.510 12.763 -5.773 1.00 0.00 C ATOM 580 C LEU A 37 -3.916 11.829 -4.733 1.00 0.00 C ATOM 581 O LEU A 37 -3.022 12.199 -3.977 1.00 0.00 O ATOM 582 CB LEU A 37 -4.948 14.139 -5.188 1.00 0.00 C ATOM 583 CG LEU A 37 -3.969 14.945 -4.364 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.977 15.620 -5.226 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.680 15.925 -3.461 1.00 0.00 C ATOM 0 H LEU A 37 -6.539 12.380 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.708 12.950 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.263 14.764 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.829 13.965 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.428 14.251 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.286 16.192 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.422 14.874 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.490 16.293 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.946 16.487 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.271 16.614 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.337 15.383 -2.782 1.00 0.00 H new ATOM 597 N ASN A 38 -4.371 10.610 -4.719 1.00 0.00 N ATOM 598 CA ASN A 38 -3.845 9.692 -3.780 1.00 0.00 C ATOM 599 C ASN A 38 -3.111 8.566 -4.478 1.00 0.00 C ATOM 600 O ASN A 38 -1.870 8.508 -4.450 1.00 0.00 O ATOM 601 CB ASN A 38 -4.936 9.099 -2.927 1.00 0.00 C ATOM 602 CG ASN A 38 -4.446 8.393 -1.669 1.00 0.00 C ATOM 603 OD1 ASN A 38 -3.296 7.940 -1.553 1.00 0.00 O ATOM 604 ND2 ASN A 38 -5.338 8.243 -0.755 1.00 0.00 N ATOM 0 H ASN A 38 -5.093 10.243 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.152 10.246 -3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.624 9.893 -2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.504 8.389 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.111 7.737 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.273 8.630 -0.886 1.00 0.00 H new ATOM 611 N ASP A 39 -3.861 7.683 -5.155 1.00 0.00 N ATOM 612 CA ASP A 39 -3.231 6.442 -5.632 1.00 0.00 C ATOM 613 C ASP A 39 -3.958 5.705 -6.761 1.00 0.00 C ATOM 614 O ASP A 39 -3.349 4.850 -7.402 1.00 0.00 O ATOM 615 CB ASP A 39 -3.119 5.459 -4.457 1.00 0.00 C ATOM 616 CG ASP A 39 -4.476 4.937 -3.984 1.00 0.00 C ATOM 617 OD1 ASP A 39 -4.732 3.716 -4.079 1.00 0.00 O ATOM 618 OD2 ASP A 39 -5.317 5.734 -3.502 1.00 0.00 O ATOM 0 H ASP A 39 -4.851 7.793 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.272 6.763 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.495 4.616 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.615 5.951 -3.625 1.00 0.00 H new ATOM 623 N LYS A 40 -5.232 5.969 -7.016 1.00 0.00 N ATOM 624 CA LYS A 40 -5.921 5.144 -7.954 1.00 0.00 C ATOM 625 C LYS A 40 -5.864 5.663 -9.323 1.00 0.00 C ATOM 626 O LYS A 40 -5.842 4.894 -10.286 1.00 0.00 O ATOM 627 CB LYS A 40 -7.381 5.001 -7.614 1.00 0.00 C ATOM 628 CG LYS A 40 -7.686 4.452 -6.233 1.00 0.00 C ATOM 629 CD LYS A 40 -9.159 4.055 -6.098 1.00 0.00 C ATOM 630 CE LYS A 40 -9.517 2.919 -7.061 1.00 0.00 C ATOM 631 NZ LYS A 40 -10.909 2.448 -6.899 1.00 0.00 N ATOM 0 H LYS A 40 -5.778 6.721 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.408 4.184 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.854 5.978 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.845 4.349 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.055 3.585 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.440 5.201 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.362 3.744 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.791 4.919 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.370 3.258 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.835 2.084 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.096 1.680 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.046 2.097 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.565 3.235 -7.079 1.00 0.00 H new ATOM 645 N VAL A 41 -5.857 6.946 -9.458 1.00 0.00 N ATOM 646 CA VAL A 41 -6.110 7.432 -10.742 1.00 0.00 C ATOM 647 C VAL A 41 -4.981 8.299 -11.240 1.00 0.00 C ATOM 648 O VAL A 41 -3.998 8.523 -10.537 1.00 0.00 O ATOM 649 CB VAL A 41 -7.471 8.165 -10.830 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.183 7.634 -12.009 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.342 7.966 -9.603 1.00 0.00 C ATOM 0 H VAL A 41 -5.686 7.636 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.173 6.566 -11.401 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.274 9.235 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.150 8.129 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.591 7.819 -12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.335 6.561 -11.890 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.280 8.506 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.550 6.904 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.823 8.345 -8.723 1.00 0.00 H new ATOM 661 N THR A 42 -5.128 8.771 -12.427 1.00 0.00 N ATOM 662 CA THR A 42 -4.107 9.488 -13.102 1.00 0.00 C ATOM 663 C THR A 42 -4.430 10.945 -13.213 1.00 0.00 C ATOM 664 O THR A 42 -5.589 11.358 -13.067 1.00 0.00 O ATOM 665 CB THR A 42 -4.004 8.944 -14.529 1.00 0.00 C ATOM 666 OG1 THR A 42 -5.333 8.905 -15.112 1.00 0.00 O ATOM 667 CG2 THR A 42 -3.416 7.556 -14.537 1.00 0.00 C ATOM 0 H THR A 42 -5.985 8.666 -12.970 1.00 0.00 H new ATOM 0 HA THR A 42 -3.183 9.368 -12.537 1.00 0.00 H new ATOM 0 HB THR A 42 -3.351 9.597 -15.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.408 8.127 -15.703 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.354 7.193 -15.563 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.418 7.581 -14.100 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.051 6.889 -13.954 1.00 0.00 H new ATOM 675 N TRP A 43 -3.423 11.710 -13.465 1.00 0.00 N ATOM 676 CA TRP A 43 -3.599 13.053 -13.866 1.00 0.00 C ATOM 677 C TRP A 43 -3.348 13.126 -15.331 1.00 0.00 C ATOM 678 O TRP A 43 -2.204 13.010 -15.776 1.00 0.00 O ATOM 679 CB TRP A 43 -2.660 14.014 -13.157 1.00 0.00 C ATOM 680 CG TRP A 43 -3.030 14.319 -11.758 1.00 0.00 C ATOM 681 CD1 TRP A 43 -3.983 15.201 -11.349 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.439 13.787 -10.581 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.020 15.248 -9.988 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.077 14.391 -9.491 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.428 12.860 -10.341 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.739 14.104 -8.191 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.092 12.570 -9.038 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.742 13.192 -7.976 1.00 0.00 C ATOM 0 H TRP A 43 -2.449 11.413 -13.396 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.614 13.353 -13.606 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.654 13.594 -13.169 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.623 14.946 -13.720 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.616 15.778 -12.006 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.648 15.827 -9.431 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.917 12.378 -11.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.244 14.583 -7.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.313 11.850 -8.837 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.454 12.950 -6.964 1.00 0.00 H new ATOM 699 N LYS A 44 -4.406 13.225 -16.092 1.00 0.00 N ATOM 700 CA LYS A 44 -4.287 13.439 -17.502 1.00 0.00 C ATOM 701 C LYS A 44 -3.805 14.868 -17.671 1.00 0.00 C ATOM 702 O LYS A 44 -3.912 15.667 -16.724 1.00 0.00 O ATOM 703 CB LYS A 44 -5.650 13.264 -18.180 1.00 0.00 C ATOM 704 CG LYS A 44 -6.331 11.913 -17.937 1.00 0.00 C ATOM 705 CD LYS A 44 -5.520 10.737 -18.471 1.00 0.00 C ATOM 706 CE LYS A 44 -6.239 9.415 -18.212 1.00 0.00 C ATOM 707 NZ LYS A 44 -5.468 8.249 -18.692 1.00 0.00 N ATOM 0 H LYS A 44 -5.365 13.160 -15.751 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.598 12.726 -17.956 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.315 14.055 -17.833 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.524 13.401 -19.254 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.493 11.780 -16.867 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.313 11.916 -18.410 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.354 10.861 -19.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.539 10.721 -17.996 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.424 9.309 -17.143 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.211 9.431 -18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.998 7.377 -18.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.313 8.334 -19.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.550 8.215 -18.204 1.00 0.00 H new ATOM 721 N ASP A 45 -3.307 15.217 -18.825 1.00 0.00 N ATOM 722 CA ASP A 45 -2.784 16.572 -19.028 1.00 0.00 C ATOM 723 C ASP A 45 -3.871 17.629 -18.812 1.00 0.00 C ATOM 724 O ASP A 45 -3.603 18.695 -18.269 1.00 0.00 O ATOM 725 CB ASP A 45 -2.082 16.714 -20.379 1.00 0.00 C ATOM 726 CG ASP A 45 -1.467 18.082 -20.601 1.00 0.00 C ATOM 727 OD1 ASP A 45 -0.387 18.366 -20.032 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.004 18.869 -21.405 1.00 0.00 O ATOM 0 H ASP A 45 -3.245 14.604 -19.638 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.021 16.749 -18.270 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.301 15.957 -20.455 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.799 16.513 -21.175 1.00 0.00 H new ATOM 733 N ASP A 46 -5.114 17.280 -19.159 1.00 0.00 N ATOM 734 CA ASP A 46 -6.283 18.158 -18.908 1.00 0.00 C ATOM 735 C ASP A 46 -6.444 18.427 -17.423 1.00 0.00 C ATOM 736 O ASP A 46 -6.720 19.564 -17.016 1.00 0.00 O ATOM 737 CB ASP A 46 -7.602 17.545 -19.404 1.00 0.00 C ATOM 738 CG ASP A 46 -7.702 17.380 -20.890 1.00 0.00 C ATOM 739 OD1 ASP A 46 -7.464 16.255 -21.383 1.00 0.00 O ATOM 740 OD2 ASP A 46 -8.045 18.351 -21.597 1.00 0.00 O ATOM 0 H ASP A 46 -5.346 16.398 -19.615 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.084 19.078 -19.458 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.731 16.569 -18.935 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.427 18.172 -19.066 1.00 0.00 H new ATOM 745 N GLU A 47 -6.234 17.383 -16.612 1.00 0.00 N ATOM 746 CA GLU A 47 -6.408 17.476 -15.155 1.00 0.00 C ATOM 747 C GLU A 47 -5.382 18.446 -14.619 1.00 0.00 C ATOM 748 O GLU A 47 -5.689 19.348 -13.823 1.00 0.00 O ATOM 749 CB GLU A 47 -6.178 16.109 -14.480 1.00 0.00 C ATOM 750 CG GLU A 47 -7.062 14.966 -14.965 1.00 0.00 C ATOM 751 CD GLU A 47 -8.519 15.148 -14.650 1.00 0.00 C ATOM 752 OE1 GLU A 47 -8.913 14.976 -13.484 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.309 15.381 -15.569 1.00 0.00 O ATOM 0 H GLU A 47 -5.943 16.462 -16.940 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.425 17.806 -14.942 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.136 15.824 -14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.327 16.227 -13.407 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.944 14.861 -16.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.716 14.036 -14.514 1.00 0.00 H new ATOM 760 N ILE A 48 -4.163 18.264 -15.106 1.00 0.00 N ATOM 761 CA ILE A 48 -3.035 19.081 -14.739 1.00 0.00 C ATOM 762 C ILE A 48 -3.313 20.545 -15.084 1.00 0.00 C ATOM 763 O ILE A 48 -3.200 21.405 -14.217 1.00 0.00 O ATOM 764 CB ILE A 48 -1.731 18.588 -15.441 1.00 0.00 C ATOM 765 CG1 ILE A 48 -1.452 17.122 -15.058 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.541 19.475 -15.069 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.239 16.510 -15.737 1.00 0.00 C ATOM 0 H ILE A 48 -3.935 17.531 -15.777 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.885 18.995 -13.663 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.872 18.652 -16.520 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.316 17.062 -13.978 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.329 16.523 -15.303 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.355 19.111 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.740 20.500 -15.381 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.389 19.447 -13.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.120 15.478 -15.408 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.377 16.533 -16.818 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.652 17.080 -15.473 1.00 0.00 H new ATOM 779 N LEU A 49 -3.750 20.800 -16.331 1.00 0.00 N ATOM 780 CA LEU A 49 -4.052 22.115 -16.826 1.00 0.00 C ATOM 781 C LEU A 49 -4.990 22.872 -15.907 1.00 0.00 C ATOM 782 O LEU A 49 -4.737 24.038 -15.571 1.00 0.00 O ATOM 783 CB LEU A 49 -4.695 21.992 -18.191 1.00 0.00 C ATOM 784 CG LEU A 49 -3.818 21.546 -19.352 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.648 21.461 -20.619 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.655 22.502 -19.548 1.00 0.00 C ATOM 0 H LEU A 49 -3.900 20.066 -17.023 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.117 22.672 -16.881 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.524 21.289 -18.108 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.123 22.961 -18.448 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.412 20.561 -19.123 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.016 21.141 -21.447 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.454 20.741 -20.478 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.072 22.440 -20.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.042 22.163 -20.383 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.037 23.501 -19.760 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.050 22.530 -18.642 1.00 0.00 H new ATOM 798 N LYS A 50 -6.047 22.202 -15.476 1.00 0.00 N ATOM 799 CA LYS A 50 -7.026 22.810 -14.630 1.00 0.00 C ATOM 800 C LYS A 50 -6.429 23.240 -13.310 1.00 0.00 C ATOM 801 O LYS A 50 -6.632 24.370 -12.868 1.00 0.00 O ATOM 802 CB LYS A 50 -8.158 21.885 -14.388 1.00 0.00 C ATOM 803 CG LYS A 50 -9.462 22.647 -14.349 1.00 0.00 C ATOM 804 CD LYS A 50 -10.172 22.755 -15.707 1.00 0.00 C ATOM 805 CE LYS A 50 -9.336 23.458 -16.743 1.00 0.00 C ATOM 806 NZ LYS A 50 -9.949 23.418 -18.085 1.00 0.00 N ATOM 0 H LYS A 50 -6.238 21.227 -15.709 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.392 23.697 -15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.194 21.131 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.010 21.357 -13.446 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.132 22.161 -13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.271 23.651 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.421 21.755 -16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.112 23.291 -15.580 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.190 24.496 -16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.349 22.996 -16.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.335 23.915 -18.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.065 22.429 -18.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.879 23.882 -18.056 1.00 0.00 H new ATOM 820 N ALA A 51 -5.640 22.363 -12.713 1.00 0.00 N ATOM 821 CA ALA A 51 -4.998 22.658 -11.443 1.00 0.00 C ATOM 822 C ALA A 51 -3.996 23.796 -11.606 1.00 0.00 C ATOM 823 O ALA A 51 -3.962 24.708 -10.799 1.00 0.00 O ATOM 824 CB ALA A 51 -4.320 21.418 -10.878 1.00 0.00 C ATOM 0 H ALA A 51 -5.428 21.439 -13.088 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.765 22.973 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.846 21.663 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.063 20.636 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.564 21.065 -11.579 1.00 0.00 H new ATOM 830 N VAL A 52 -3.230 23.753 -12.684 1.00 0.00 N ATOM 831 CA VAL A 52 -2.223 24.776 -13.007 1.00 0.00 C ATOM 832 C VAL A 52 -2.833 26.167 -13.074 1.00 0.00 C ATOM 833 O VAL A 52 -2.241 27.143 -12.609 1.00 0.00 O ATOM 834 CB VAL A 52 -1.510 24.445 -14.359 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.555 25.547 -14.808 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.748 23.164 -14.220 1.00 0.00 C ATOM 0 H VAL A 52 -3.283 23.003 -13.373 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.488 24.767 -12.202 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.287 24.356 -15.118 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.089 25.263 -15.751 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.109 26.476 -14.942 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.216 25.691 -14.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.251 22.932 -15.162 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.002 23.268 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.435 22.358 -13.965 1.00 0.00 H new ATOM 846 N HIS A 53 -4.024 26.235 -13.588 1.00 0.00 N ATOM 847 CA HIS A 53 -4.688 27.494 -13.797 1.00 0.00 C ATOM 848 C HIS A 53 -5.233 28.052 -12.484 1.00 0.00 C ATOM 849 O HIS A 53 -5.221 29.256 -12.264 1.00 0.00 O ATOM 850 CB HIS A 53 -5.836 27.293 -14.775 1.00 0.00 C ATOM 851 CG HIS A 53 -6.285 28.546 -15.464 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.034 28.800 -16.790 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.976 29.610 -15.011 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.546 29.959 -17.116 1.00 0.00 C ATOM 855 NE2 HIS A 53 -7.124 30.469 -16.058 1.00 0.00 N ATOM 0 H HIS A 53 -4.566 25.421 -13.876 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.967 28.206 -14.199 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.533 26.566 -15.529 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.683 26.863 -14.240 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.344 29.755 -14.006 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.500 30.417 -18.093 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.608 31.366 -16.023 1.00 0.00 H new ATOM 863 N VAL A 54 -5.651 27.170 -11.612 1.00 0.00 N ATOM 864 CA VAL A 54 -6.352 27.560 -10.394 1.00 0.00 C ATOM 865 C VAL A 54 -5.364 27.798 -9.274 1.00 0.00 C ATOM 866 O VAL A 54 -5.333 28.865 -8.639 1.00 0.00 O ATOM 867 CB VAL A 54 -7.361 26.452 -9.968 1.00 0.00 C ATOM 868 CG1 VAL A 54 -8.026 26.780 -8.644 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.412 26.230 -11.044 1.00 0.00 C ATOM 0 H VAL A 54 -5.521 26.164 -11.716 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.898 28.482 -10.595 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.793 25.531 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.723 25.984 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.266 26.870 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.567 27.722 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.104 25.452 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.961 27.156 -11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.926 25.922 -11.970 1.00 0.00 H new ATOM 879 N LEU A 55 -4.546 26.804 -9.063 1.00 0.00 N ATOM 880 CA LEU A 55 -3.553 26.764 -8.063 1.00 0.00 C ATOM 881 C LEU A 55 -2.364 27.647 -8.409 1.00 0.00 C ATOM 882 O LEU A 55 -1.461 27.811 -7.598 1.00 0.00 O ATOM 883 CB LEU A 55 -3.120 25.330 -7.975 1.00 0.00 C ATOM 884 CG LEU A 55 -3.992 24.335 -7.198 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.836 24.519 -5.711 1.00 0.00 C ATOM 886 CD2 LEU A 55 -5.473 24.387 -7.565 1.00 0.00 C ATOM 0 H LEU A 55 -4.569 25.955 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.947 27.137 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.019 24.954 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.125 25.314 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.627 23.351 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.466 23.800 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.794 24.360 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.135 25.531 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.021 23.654 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.864 25.384 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.594 24.160 -8.624 1.00 0.00 H new ATOM 898 N GLU A 56 -2.384 28.176 -9.628 1.00 0.00 N ATOM 899 CA GLU A 56 -1.381 29.089 -10.150 1.00 0.00 C ATOM 900 C GLU A 56 -0.023 28.433 -10.235 1.00 0.00 C ATOM 901 O GLU A 56 0.868 28.667 -9.420 1.00 0.00 O ATOM 902 CB GLU A 56 -1.327 30.383 -9.354 1.00 0.00 C ATOM 903 CG GLU A 56 -2.669 31.065 -9.251 1.00 0.00 C ATOM 904 CD GLU A 56 -2.633 32.268 -8.374 1.00 0.00 C ATOM 905 OE1 GLU A 56 -1.710 32.383 -7.527 1.00 0.00 O ATOM 906 OE2 GLU A 56 -3.540 33.115 -8.482 1.00 0.00 O ATOM 0 H GLU A 56 -3.124 27.972 -10.299 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.681 29.349 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.954 30.172 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.615 31.062 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.002 31.356 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.403 30.359 -8.863 1.00 0.00 H new ATOM 913 N LEU A 57 0.099 27.560 -11.178 1.00 0.00 N ATOM 914 CA LEU A 57 1.322 26.866 -11.416 1.00 0.00 C ATOM 915 C LEU A 57 1.819 27.256 -12.780 1.00 0.00 C ATOM 916 O LEU A 57 1.208 28.104 -13.444 1.00 0.00 O ATOM 917 CB LEU A 57 1.112 25.372 -11.345 1.00 0.00 C ATOM 918 CG LEU A 57 0.470 24.811 -10.067 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.309 23.304 -10.173 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.292 25.173 -8.839 1.00 0.00 C ATOM 0 H LEU A 57 -0.657 27.304 -11.814 1.00 0.00 H new ATOM 0 HA LEU A 57 2.054 27.133 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.491 25.078 -12.191 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.080 24.889 -11.476 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.517 25.261 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.147 22.922 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.328 23.065 -11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.287 22.842 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.815 24.764 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.295 24.758 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.356 26.258 -8.750 1.00 0.00 H new ATOM 932 N ASN A 58 2.880 26.659 -13.215 1.00 0.00 N ATOM 933 CA ASN A 58 3.441 26.959 -14.502 1.00 0.00 C ATOM 934 C ASN A 58 3.841 25.644 -15.156 1.00 0.00 C ATOM 935 O ASN A 58 4.239 24.729 -14.442 1.00 0.00 O ATOM 936 CB ASN A 58 4.672 27.856 -14.311 1.00 0.00 C ATOM 937 CG ASN A 58 5.244 28.338 -15.609 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.102 27.698 -16.197 1.00 0.00 O ATOM 939 ND2 ASN A 58 4.754 29.443 -16.071 1.00 0.00 N ATOM 0 H ASN A 58 3.388 25.947 -12.690 1.00 0.00 H new ATOM 0 HA ASN A 58 2.722 27.481 -15.133 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.399 28.715 -13.698 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.437 27.304 -13.764 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.084 29.814 -16.962 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.038 29.943 -15.544 1.00 0.00 H new ATOM 946 N PRO A 59 3.711 25.502 -16.501 1.00 0.00 N ATOM 947 CA PRO A 59 4.118 24.280 -17.232 1.00 0.00 C ATOM 948 C PRO A 59 5.575 23.857 -16.958 1.00 0.00 C ATOM 949 O PRO A 59 5.908 22.671 -16.988 1.00 0.00 O ATOM 950 CB PRO A 59 3.943 24.655 -18.717 1.00 0.00 C ATOM 951 CG PRO A 59 3.713 26.129 -18.735 1.00 0.00 C ATOM 952 CD PRO A 59 3.094 26.478 -17.417 1.00 0.00 C ATOM 0 HA PRO A 59 3.519 23.425 -16.918 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.828 24.389 -19.295 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.102 24.122 -19.159 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.651 26.666 -18.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.056 26.409 -19.559 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.316 27.504 -17.124 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.009 26.381 -17.441 1.00 0.00 H new ATOM 960 N GLN A 60 6.424 24.815 -16.647 1.00 0.00 N ATOM 961 CA GLN A 60 7.829 24.527 -16.394 1.00 0.00 C ATOM 962 C GLN A 60 8.024 24.045 -14.958 1.00 0.00 C ATOM 963 O GLN A 60 9.038 23.432 -14.621 1.00 0.00 O ATOM 964 CB GLN A 60 8.665 25.774 -16.633 1.00 0.00 C ATOM 965 CG GLN A 60 8.452 26.400 -17.999 1.00 0.00 C ATOM 966 CD GLN A 60 9.306 27.621 -18.216 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.423 27.724 -17.685 1.00 0.00 O ATOM 968 NE2 GLN A 60 8.810 28.557 -18.978 1.00 0.00 N ATOM 0 H GLN A 60 6.171 25.799 -16.562 1.00 0.00 H new ATOM 0 HA GLN A 60 8.151 23.740 -17.076 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.430 26.511 -15.865 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.719 25.521 -16.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.675 25.663 -18.771 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.402 26.671 -18.111 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.888 28.438 -19.398 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.344 29.408 -19.154 1.00 0.00 H new ATOM 977 N ASP A 61 7.019 24.279 -14.134 1.00 0.00 N ATOM 978 CA ASP A 61 7.079 23.957 -12.706 1.00 0.00 C ATOM 979 C ASP A 61 6.436 22.596 -12.482 1.00 0.00 C ATOM 980 O ASP A 61 6.484 22.032 -11.404 1.00 0.00 O ATOM 981 CB ASP A 61 6.313 25.031 -11.918 1.00 0.00 C ATOM 982 CG ASP A 61 6.952 25.390 -10.595 1.00 0.00 C ATOM 983 OD1 ASP A 61 6.368 25.145 -9.539 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.059 25.974 -10.598 1.00 0.00 O ATOM 0 H ASP A 61 6.136 24.697 -14.428 1.00 0.00 H new ATOM 0 HA ASP A 61 8.115 23.931 -12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.235 25.930 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.297 24.680 -11.737 1.00 0.00 H new ATOM 989 N ILE A 62 5.884 22.064 -13.555 1.00 0.00 N ATOM 990 CA ILE A 62 5.161 20.794 -13.564 1.00 0.00 C ATOM 991 C ILE A 62 5.950 19.538 -13.103 1.00 0.00 C ATOM 992 O ILE A 62 5.407 18.782 -12.306 1.00 0.00 O ATOM 993 CB ILE A 62 4.445 20.553 -14.923 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.364 21.606 -15.120 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.851 19.150 -15.046 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.340 21.664 -14.010 1.00 0.00 C ATOM 0 H ILE A 62 5.923 22.510 -14.472 1.00 0.00 H new ATOM 0 HA ILE A 62 4.416 20.924 -12.779 1.00 0.00 H new ATOM 0 HB ILE A 62 5.198 20.637 -15.706 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.838 22.583 -15.212 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.851 21.411 -16.062 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.365 19.044 -16.016 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.645 18.409 -14.955 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.118 18.995 -14.254 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.608 22.441 -14.231 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.835 20.701 -13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.838 21.892 -13.067 1.00 0.00 H new ATOM 1008 N PRO A 63 7.259 19.313 -13.495 1.00 0.00 N ATOM 1009 CA PRO A 63 7.950 18.045 -13.174 1.00 0.00 C ATOM 1010 C PRO A 63 8.221 17.912 -11.690 1.00 0.00 C ATOM 1011 O PRO A 63 8.558 16.840 -11.185 1.00 0.00 O ATOM 1012 CB PRO A 63 9.259 18.143 -13.948 1.00 0.00 C ATOM 1013 CG PRO A 63 9.516 19.594 -14.115 1.00 0.00 C ATOM 1014 CD PRO A 63 8.174 20.258 -14.189 1.00 0.00 C ATOM 0 HA PRO A 63 7.353 17.173 -13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.072 17.661 -13.405 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.181 17.645 -14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.096 19.984 -13.279 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.093 19.784 -15.020 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.185 21.233 -13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.868 20.422 -15.222 1.00 0.00 H new ATOM 1022 N LYS A 64 8.065 19.010 -11.012 1.00 0.00 N ATOM 1023 CA LYS A 64 8.248 19.092 -9.584 1.00 0.00 C ATOM 1024 C LYS A 64 7.024 18.487 -8.894 1.00 0.00 C ATOM 1025 O LYS A 64 7.134 17.807 -7.870 1.00 0.00 O ATOM 1026 CB LYS A 64 8.381 20.557 -9.159 1.00 0.00 C ATOM 1027 CG LYS A 64 9.337 21.385 -10.011 1.00 0.00 C ATOM 1028 CD LYS A 64 9.460 22.800 -9.462 1.00 0.00 C ATOM 1029 CE LYS A 64 10.430 23.635 -10.271 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.460 25.048 -9.826 1.00 0.00 N ATOM 0 H LYS A 64 7.801 19.897 -11.442 1.00 0.00 H new ATOM 0 HA LYS A 64 9.151 18.550 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.395 21.021 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.717 20.591 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.318 20.911 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.979 21.419 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.480 23.277 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.792 22.760 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.430 23.209 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.152 23.594 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.150 25.577 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.517 25.469 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.735 25.091 -8.824 1.00 0.00 H new ATOM 1044 N TYR A 65 5.865 18.706 -9.494 1.00 0.00 N ATOM 1045 CA TYR A 65 4.621 18.267 -8.938 1.00 0.00 C ATOM 1046 C TYR A 65 4.173 16.950 -9.564 1.00 0.00 C ATOM 1047 O TYR A 65 4.117 15.919 -8.897 1.00 0.00 O ATOM 1048 CB TYR A 65 3.525 19.308 -9.182 1.00 0.00 C ATOM 1049 CG TYR A 65 3.762 20.685 -8.615 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.151 21.740 -9.426 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.568 20.935 -7.274 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.335 22.998 -8.911 1.00 0.00 C ATOM 1053 CE2 TYR A 65 3.757 22.200 -6.748 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.139 23.224 -7.574 1.00 0.00 C ATOM 1055 OH TYR A 65 4.312 24.486 -7.058 1.00 0.00 O ATOM 0 H TYR A 65 5.774 19.196 -10.384 1.00 0.00 H new ATOM 0 HA TYR A 65 4.778 18.129 -7.868 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.379 19.403 -10.258 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.593 18.925 -8.767 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.312 21.569 -10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.263 20.129 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.634 23.809 -9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.605 22.379 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 65 4.132 24.473 -6.095 1.00 0.00 H new ATOM 1065 N PHE A 66 3.895 16.989 -10.852 1.00 0.00 N ATOM 1066 CA PHE A 66 3.317 15.871 -11.547 1.00 0.00 C ATOM 1067 C PHE A 66 4.214 15.567 -12.736 1.00 0.00 C ATOM 1068 O PHE A 66 4.173 16.291 -13.716 1.00 0.00 O ATOM 1069 CB PHE A 66 1.938 16.237 -12.174 1.00 0.00 C ATOM 1070 CG PHE A 66 0.966 17.039 -11.345 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.002 18.427 -11.374 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.005 16.419 -10.590 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.090 19.176 -10.658 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -0.920 17.165 -9.865 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.872 18.544 -9.901 1.00 0.00 C ATOM 0 H PHE A 66 4.067 17.803 -11.442 1.00 0.00 H new ATOM 0 HA PHE A 66 3.209 15.050 -10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.127 16.791 -13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.445 15.307 -12.458 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.754 18.928 -11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.054 15.340 -10.563 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.130 20.255 -10.691 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.672 16.667 -9.271 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.586 19.126 -9.337 1.00 0.00 H new ATOM 1085 N PHE A 67 5.061 14.590 -12.656 1.00 0.00 N ATOM 1086 CA PHE A 67 5.827 14.264 -13.846 1.00 0.00 C ATOM 1087 C PHE A 67 5.085 13.185 -14.658 1.00 0.00 C ATOM 1088 O PHE A 67 4.405 13.503 -15.629 1.00 0.00 O ATOM 1089 CB PHE A 67 7.286 13.909 -13.527 1.00 0.00 C ATOM 1090 CG PHE A 67 8.158 13.788 -14.750 1.00 0.00 C ATOM 1091 CD1 PHE A 67 8.733 12.583 -15.100 1.00 0.00 C ATOM 1092 CD2 PHE A 67 8.389 14.893 -15.555 1.00 0.00 C ATOM 1093 CE1 PHE A 67 9.524 12.478 -16.226 1.00 0.00 C ATOM 1094 CE2 PHE A 67 9.179 14.795 -16.681 1.00 0.00 C ATOM 1095 CZ PHE A 67 9.747 13.585 -17.017 1.00 0.00 C ATOM 0 H PHE A 67 5.245 14.021 -11.830 1.00 0.00 H new ATOM 0 HA PHE A 67 5.901 15.152 -14.474 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.701 14.672 -12.869 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.311 12.967 -12.979 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.562 11.712 -14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.944 15.843 -15.297 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.968 11.529 -16.487 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.352 15.664 -17.298 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.366 13.504 -17.898 1.00 0.00 H new ATOM 1105 N ASN A 68 5.201 11.927 -14.267 1.00 0.00 N ATOM 1106 CA ASN A 68 4.389 10.889 -14.853 1.00 0.00 C ATOM 1107 C ASN A 68 3.091 10.815 -14.116 1.00 0.00 C ATOM 1108 O ASN A 68 2.077 11.366 -14.553 1.00 0.00 O ATOM 1109 CB ASN A 68 5.091 9.521 -14.835 1.00 0.00 C ATOM 1110 CG ASN A 68 6.109 9.308 -15.932 1.00 0.00 C ATOM 1111 OD1 ASN A 68 5.778 8.826 -17.007 1.00 0.00 O ATOM 1112 ND2 ASN A 68 7.341 9.614 -15.662 1.00 0.00 N ATOM 0 H ASN A 68 5.849 11.606 -13.548 1.00 0.00 H new ATOM 0 HA ASN A 68 4.216 11.141 -15.899 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.586 9.397 -13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.334 8.740 -14.907 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.070 9.454 -16.357 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.580 10.014 -14.755 1.00 0.00 H new ATOM 1119 N ALA A 69 3.138 10.140 -12.987 1.00 0.00 N ATOM 1120 CA ALA A 69 2.006 9.964 -12.064 1.00 0.00 C ATOM 1121 C ALA A 69 0.860 9.221 -12.741 1.00 0.00 C ATOM 1122 O ALA A 69 -0.305 9.304 -12.354 1.00 0.00 O ATOM 1123 CB ALA A 69 1.579 11.298 -11.470 1.00 0.00 C ATOM 0 H ALA A 69 3.988 9.678 -12.664 1.00 0.00 H new ATOM 0 HA ALA A 69 2.328 9.341 -11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.741 11.142 -10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.413 11.736 -10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.277 11.973 -12.271 1.00 0.00 H new ATOM 1129 N LYS A 70 1.232 8.468 -13.726 1.00 0.00 N ATOM 1130 CA LYS A 70 0.362 7.652 -14.459 1.00 0.00 C ATOM 1131 C LYS A 70 0.332 6.291 -13.769 1.00 0.00 C ATOM 1132 O LYS A 70 1.213 5.443 -13.987 1.00 0.00 O ATOM 1133 CB LYS A 70 0.901 7.535 -15.872 1.00 0.00 C ATOM 1134 CG LYS A 70 1.104 8.872 -16.569 1.00 0.00 C ATOM 1135 CD LYS A 70 1.664 8.695 -17.966 1.00 0.00 C ATOM 1136 CE LYS A 70 2.007 10.031 -18.612 1.00 0.00 C ATOM 1137 NZ LYS A 70 0.841 10.922 -18.732 1.00 0.00 N ATOM 0 H LYS A 70 2.200 8.414 -14.044 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.648 8.059 -14.506 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.852 7.003 -15.844 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.214 6.929 -16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.154 9.403 -16.622 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.782 9.490 -15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.557 8.072 -17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.938 8.168 -18.585 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.779 10.527 -18.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.427 9.854 -19.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.108 11.772 -19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.074 10.426 -19.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.516 11.198 -17.783 1.00 0.00 H new ATOM 1151 N VAL A 71 -0.608 6.116 -12.877 1.00 0.00 N ATOM 1152 CA VAL A 71 -0.664 4.915 -12.060 1.00 0.00 C ATOM 1153 C VAL A 71 -2.013 4.169 -12.256 1.00 0.00 C ATOM 1154 O VAL A 71 -2.531 3.500 -11.362 1.00 0.00 O ATOM 1155 CB VAL A 71 -0.403 5.300 -10.564 1.00 0.00 C ATOM 1156 CG1 VAL A 71 -1.502 6.175 -9.994 1.00 0.00 C ATOM 1157 CG2 VAL A 71 -0.108 4.087 -9.680 1.00 0.00 C ATOM 0 H VAL A 71 -1.352 6.789 -12.692 1.00 0.00 H new ATOM 0 HA VAL A 71 0.115 4.220 -12.373 1.00 0.00 H new ATOM 0 HB VAL A 71 0.506 5.901 -10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.275 6.414 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.570 7.097 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.453 5.644 -10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.064 4.417 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.958 3.404 -9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.780 3.574 -10.050 1.00 0.00 H new ATOM 1167 N HIS A 72 -2.546 4.241 -13.448 1.00 0.00 N ATOM 1168 CA HIS A 72 -3.794 3.571 -13.738 1.00 0.00 C ATOM 1169 C HIS A 72 -3.721 2.974 -15.122 1.00 0.00 C ATOM 1170 O HIS A 72 -3.711 3.739 -16.107 1.00 0.00 O ATOM 1171 CB HIS A 72 -4.988 4.527 -13.627 1.00 0.00 C ATOM 1172 CG HIS A 72 -6.318 3.838 -13.646 1.00 0.00 C ATOM 1173 ND1 HIS A 72 -7.179 3.869 -14.717 1.00 0.00 N ATOM 1174 CD2 HIS A 72 -6.942 3.120 -12.689 1.00 0.00 C ATOM 1175 CE1 HIS A 72 -8.273 3.202 -14.415 1.00 0.00 C ATOM 1176 NE2 HIS A 72 -8.151 2.739 -13.190 1.00 0.00 N ATOM 0 H HIS A 72 -2.141 4.753 -14.232 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.946 2.781 -13.002 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.899 5.099 -12.703 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.947 5.241 -14.449 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.555 2.890 -11.707 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.125 3.059 -15.063 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.849 2.184 -12.695 1.00 0.00 H new TER 1184 HIS A 72