USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -171:sc= -0.28 (180deg=-0.315) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0789 (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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 148:sc= 0.334 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= 1.45 USER MOD Single : A 14 CYS SG : rot -24:sc= 0.414 USER MOD Single : A 15 SER OG : rot 25:sc= 0.127 USER MOD Single : A 17 TYR OH : rot 68:sc= -1.91! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0179 K(o=-0.018,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.52) USER MOD Single : A 39 GLN : amide:sc= 0.0225 X(o=0.022,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -47:sc= 0.0953 USER MOD Single : A 57 SER OG : rot 136:sc= 1.71 USER MOD Single : A 58 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-1.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.401 K(o=-0.4,f=-3.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 38:sc= 1.2 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.397 -1.057 17.447 1.00 0.00 N ATOM 2 CA GLY A 1 -5.112 -0.658 16.080 1.00 0.00 C ATOM 3 C GLY A 1 -3.635 -0.418 15.842 1.00 0.00 C ATOM 4 O GLY A 1 -2.796 -0.824 16.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.891 -1.972 17.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.506 -1.145 17.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.999 -0.340 17.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.466 -1.431 15.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.667 0.251 15.847 1.00 0.00 H new ATOM 8 N SER A 2 -3.316 0.243 14.734 1.00 0.00 N ATOM 9 CA SER A 2 -1.929 0.532 14.389 1.00 0.00 C ATOM 10 C SER A 2 -1.329 1.549 15.355 1.00 0.00 C ATOM 11 O SER A 2 -1.884 2.629 15.560 1.00 0.00 O ATOM 12 CB SER A 2 -1.836 1.057 12.955 1.00 0.00 C ATOM 13 OG SER A 2 -0.515 1.467 12.646 1.00 0.00 O ATOM 0 H SER A 2 -3.999 0.588 14.060 1.00 0.00 H new ATOM 0 HA SER A 2 -1.361 -0.395 14.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.151 0.280 12.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.520 1.896 12.827 1.00 0.00 H new ATOM 0 HG SER A 2 -0.482 1.797 11.724 1.00 0.00 H new ATOM 19 N SER A 3 -0.193 1.197 15.946 1.00 0.00 N ATOM 20 CA SER A 3 0.481 2.076 16.894 1.00 0.00 C ATOM 21 C SER A 3 1.967 2.191 16.567 1.00 0.00 C ATOM 22 O SER A 3 2.493 3.289 16.390 1.00 0.00 O ATOM 23 CB SER A 3 0.300 1.558 18.322 1.00 0.00 C ATOM 24 OG SER A 3 -1.069 1.541 18.688 1.00 0.00 O ATOM 0 H SER A 3 0.281 0.308 15.785 1.00 0.00 H new ATOM 0 HA SER A 3 0.032 3.066 16.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.714 0.553 18.403 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.857 2.189 19.015 1.00 0.00 H new ATOM 0 HG SER A 3 -1.159 1.205 19.604 1.00 0.00 H new ATOM 30 N GLY A 4 2.639 1.046 16.489 1.00 0.00 N ATOM 31 CA GLY A 4 4.058 1.038 16.184 1.00 0.00 C ATOM 32 C GLY A 4 4.748 -0.223 16.665 1.00 0.00 C ATOM 33 O GLY A 4 5.456 -0.881 15.903 1.00 0.00 O ATOM 0 H GLY A 4 2.226 0.124 16.632 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.195 1.135 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.530 1.905 16.645 1.00 0.00 H new ATOM 37 N SER A 5 4.542 -0.561 17.934 1.00 0.00 N ATOM 38 CA SER A 5 5.154 -1.749 18.518 1.00 0.00 C ATOM 39 C SER A 5 5.212 -2.885 17.502 1.00 0.00 C ATOM 40 O SER A 5 6.274 -3.454 17.250 1.00 0.00 O ATOM 41 CB SER A 5 4.372 -2.195 19.755 1.00 0.00 C ATOM 42 OG SER A 5 5.054 -3.230 20.443 1.00 0.00 O ATOM 0 H SER A 5 3.956 -0.029 18.577 1.00 0.00 H new ATOM 0 HA SER A 5 6.173 -1.496 18.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.225 -1.346 20.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.382 -2.542 19.458 1.00 0.00 H new ATOM 0 HG SER A 5 4.535 -3.497 21.230 1.00 0.00 H new ATOM 48 N SER A 6 4.062 -3.210 16.920 1.00 0.00 N ATOM 49 CA SER A 6 3.979 -4.280 15.934 1.00 0.00 C ATOM 50 C SER A 6 5.100 -4.159 14.906 1.00 0.00 C ATOM 51 O SER A 6 5.811 -5.124 14.628 1.00 0.00 O ATOM 52 CB SER A 6 2.621 -4.251 15.230 1.00 0.00 C ATOM 53 OG SER A 6 1.566 -4.473 16.150 1.00 0.00 O ATOM 0 H SER A 6 3.174 -2.747 17.115 1.00 0.00 H new ATOM 0 HA SER A 6 4.089 -5.230 16.456 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.483 -3.288 14.739 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.595 -5.013 14.451 1.00 0.00 H new ATOM 0 HG SER A 6 0.708 -4.448 15.676 1.00 0.00 H new ATOM 59 N GLY A 7 5.251 -2.964 14.343 1.00 0.00 N ATOM 60 CA GLY A 7 6.286 -2.737 13.351 1.00 0.00 C ATOM 61 C GLY A 7 5.742 -2.130 12.073 1.00 0.00 C ATOM 62 O GLY A 7 4.837 -1.297 12.110 1.00 0.00 O ATOM 0 H GLY A 7 4.675 -2.149 14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.046 -2.077 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.777 -3.682 13.120 1.00 0.00 H new ATOM 66 N ALA A 8 6.296 -2.547 10.939 1.00 0.00 N ATOM 67 CA ALA A 8 5.860 -2.039 9.644 1.00 0.00 C ATOM 68 C ALA A 8 4.802 -2.947 9.027 1.00 0.00 C ATOM 69 O ALA A 8 4.472 -3.998 9.577 1.00 0.00 O ATOM 70 CB ALA A 8 7.049 -1.897 8.706 1.00 0.00 C ATOM 0 H ALA A 8 7.047 -3.235 10.891 1.00 0.00 H new ATOM 0 HA ALA A 8 5.413 -1.057 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.709 -1.517 7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.771 -1.203 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.520 -2.870 8.566 1.00 0.00 H new ATOM 76 N THR A 9 4.271 -2.534 7.880 1.00 0.00 N ATOM 77 CA THR A 9 3.248 -3.309 7.188 1.00 0.00 C ATOM 78 C THR A 9 3.636 -3.558 5.735 1.00 0.00 C ATOM 79 O THR A 9 3.870 -2.618 4.975 1.00 0.00 O ATOM 80 CB THR A 9 1.882 -2.599 7.229 1.00 0.00 C ATOM 81 OG1 THR A 9 1.499 -2.352 8.586 1.00 0.00 O ATOM 82 CG2 THR A 9 0.816 -3.437 6.540 1.00 0.00 C ATOM 0 H THR A 9 4.533 -1.667 7.411 1.00 0.00 H new ATOM 0 HA THR A 9 3.168 -4.264 7.708 1.00 0.00 H new ATOM 0 HB THR A 9 1.974 -1.651 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.630 -1.899 8.603 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.140 -2.915 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.096 -3.598 5.499 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.727 -4.399 7.045 1.00 0.00 H new ATOM 90 N SER A 10 3.701 -4.830 5.354 1.00 0.00 N ATOM 91 CA SER A 10 4.064 -5.202 3.992 1.00 0.00 C ATOM 92 C SER A 10 2.823 -5.315 3.111 1.00 0.00 C ATOM 93 O SER A 10 1.823 -5.917 3.503 1.00 0.00 O ATOM 94 CB SER A 10 4.828 -6.527 3.989 1.00 0.00 C ATOM 95 OG SER A 10 4.002 -7.593 4.422 1.00 0.00 O ATOM 0 H SER A 10 3.507 -5.620 5.970 1.00 0.00 H new ATOM 0 HA SER A 10 4.706 -4.420 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.198 -6.735 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.699 -6.450 4.640 1.00 0.00 H new ATOM 0 HG SER A 10 4.270 -8.419 3.968 1.00 0.00 H new ATOM 101 N TYR A 11 2.896 -4.733 1.920 1.00 0.00 N ATOM 102 CA TYR A 11 1.778 -4.766 0.983 1.00 0.00 C ATOM 103 C TYR A 11 2.141 -5.556 -0.270 1.00 0.00 C ATOM 104 O TYR A 11 3.285 -5.974 -0.444 1.00 0.00 O ATOM 105 CB TYR A 11 1.364 -3.344 0.601 1.00 0.00 C ATOM 106 CG TYR A 11 0.821 -2.539 1.760 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.630 -2.201 2.837 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.503 -2.116 1.776 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.137 -1.466 3.898 1.00 0.00 C ATOM 110 CE2 TYR A 11 -1.004 -1.380 2.833 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.181 -1.058 3.891 1.00 0.00 C ATOM 112 OH TYR A 11 -0.676 -0.325 4.946 1.00 0.00 O ATOM 0 H TYR A 11 3.717 -4.233 1.580 1.00 0.00 H new ATOM 0 HA TYR A 11 0.940 -5.262 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.225 -2.825 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.608 -3.393 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.662 -2.518 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.151 -2.367 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.780 -1.212 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.035 -1.059 2.830 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.620 -0.117 4.785 1.00 0.00 H new ATOM 122 N MET A 12 1.157 -5.757 -1.140 1.00 0.00 N ATOM 123 CA MET A 12 1.371 -6.496 -2.379 1.00 0.00 C ATOM 124 C MET A 12 1.126 -5.605 -3.593 1.00 0.00 C ATOM 125 O MET A 12 0.130 -4.883 -3.655 1.00 0.00 O ATOM 126 CB MET A 12 0.453 -7.718 -2.435 1.00 0.00 C ATOM 127 CG MET A 12 0.483 -8.440 -3.772 1.00 0.00 C ATOM 128 SD MET A 12 0.077 -10.191 -3.625 1.00 0.00 S ATOM 129 CE MET A 12 1.567 -10.939 -4.280 1.00 0.00 C ATOM 0 H MET A 12 0.204 -5.419 -1.010 1.00 0.00 H new ATOM 0 HA MET A 12 2.409 -6.830 -2.399 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.741 -8.415 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.569 -7.404 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.222 -7.964 -4.454 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.474 -8.337 -4.214 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.470 -12.024 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.717 -10.611 -5.309 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.422 -10.637 -3.675 1.00 0.00 H new ATOM 139 N THR A 13 2.040 -5.660 -4.557 1.00 0.00 N ATOM 140 CA THR A 13 1.923 -4.857 -5.768 1.00 0.00 C ATOM 141 C THR A 13 0.968 -5.503 -6.765 1.00 0.00 C ATOM 142 O THR A 13 1.187 -6.631 -7.207 1.00 0.00 O ATOM 143 CB THR A 13 3.293 -4.655 -6.442 1.00 0.00 C ATOM 144 OG1 THR A 13 3.710 -5.869 -7.076 1.00 0.00 O ATOM 145 CG2 THR A 13 4.338 -4.222 -5.425 1.00 0.00 C ATOM 0 H THR A 13 2.870 -6.252 -4.522 1.00 0.00 H new ATOM 0 HA THR A 13 1.528 -3.886 -5.468 1.00 0.00 H new ATOM 0 HB THR A 13 3.193 -3.870 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.262 -5.657 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.297 -4.086 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.031 -3.282 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.435 -4.987 -4.655 1.00 0.00 H new ATOM 153 N CYS A 14 -0.090 -4.781 -7.116 1.00 0.00 N ATOM 154 CA CYS A 14 -1.079 -5.284 -8.063 1.00 0.00 C ATOM 155 C CYS A 14 -0.756 -4.828 -9.481 1.00 0.00 C ATOM 156 O CYS A 14 -1.334 -5.321 -10.450 1.00 0.00 O ATOM 157 CB CYS A 14 -2.480 -4.812 -7.669 1.00 0.00 C ATOM 158 SG CYS A 14 -3.786 -5.355 -8.794 1.00 0.00 S ATOM 0 H CYS A 14 -0.285 -3.846 -6.759 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.049 -6.373 -8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.705 -5.175 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.485 -3.723 -7.623 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.275 -5.607 -9.963 1.00 0.00 H new ATOM 164 N SER A 15 0.172 -3.883 -9.597 1.00 0.00 N ATOM 165 CA SER A 15 0.569 -3.356 -10.897 1.00 0.00 C ATOM 166 C SER A 15 2.040 -2.953 -10.893 1.00 0.00 C ATOM 167 O SER A 15 2.619 -2.684 -9.841 1.00 0.00 O ATOM 168 CB SER A 15 -0.300 -2.154 -11.271 1.00 0.00 C ATOM 169 OG SER A 15 -1.506 -2.569 -11.889 1.00 0.00 O ATOM 0 H SER A 15 0.663 -3.467 -8.806 1.00 0.00 H new ATOM 0 HA SER A 15 0.427 -4.142 -11.639 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.527 -1.573 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.251 -1.499 -11.945 1.00 0.00 H new ATOM 0 HG SER A 15 -1.724 -3.480 -11.601 1.00 0.00 H new ATOM 175 N ALA A 16 2.639 -2.913 -12.079 1.00 0.00 N ATOM 176 CA ALA A 16 4.042 -2.541 -12.214 1.00 0.00 C ATOM 177 C ALA A 16 4.209 -1.026 -12.233 1.00 0.00 C ATOM 178 O ALA A 16 3.797 -0.358 -13.182 1.00 0.00 O ATOM 179 CB ALA A 16 4.632 -3.155 -13.475 1.00 0.00 C ATOM 0 H ALA A 16 2.174 -3.134 -12.960 1.00 0.00 H new ATOM 0 HA ALA A 16 4.580 -2.928 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.680 -2.869 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.556 -4.241 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.083 -2.796 -14.346 1.00 0.00 H new ATOM 185 N TYR A 17 4.814 -0.489 -11.180 1.00 0.00 N ATOM 186 CA TYR A 17 5.032 0.949 -11.074 1.00 0.00 C ATOM 187 C TYR A 17 6.421 1.328 -11.579 1.00 0.00 C ATOM 188 O TYR A 17 7.407 0.656 -11.278 1.00 0.00 O ATOM 189 CB TYR A 17 4.862 1.407 -9.624 1.00 0.00 C ATOM 190 CG TYR A 17 5.580 2.700 -9.310 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.963 2.737 -9.183 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.875 3.885 -9.140 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.623 3.916 -8.895 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.526 5.069 -8.853 1.00 0.00 C ATOM 195 CZ TYR A 17 6.900 5.079 -8.731 1.00 0.00 C ATOM 196 OH TYR A 17 7.554 6.256 -8.445 1.00 0.00 O ATOM 0 H TYR A 17 5.162 -1.028 -10.387 1.00 0.00 H new ATOM 0 HA TYR A 17 4.290 1.450 -11.695 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.800 1.530 -9.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.231 0.626 -8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.532 1.828 -9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.799 3.880 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.699 3.927 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.963 5.981 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 17 8.089 6.530 -9.219 1.00 0.00 H new ATOM 206 N GLN A 18 6.489 2.409 -12.349 1.00 0.00 N ATOM 207 CA GLN A 18 7.756 2.878 -12.897 1.00 0.00 C ATOM 208 C GLN A 18 8.364 3.962 -12.012 1.00 0.00 C ATOM 209 O GLN A 18 7.648 4.699 -11.334 1.00 0.00 O ATOM 210 CB GLN A 18 7.556 3.415 -14.315 1.00 0.00 C ATOM 211 CG GLN A 18 6.846 4.758 -14.363 1.00 0.00 C ATOM 212 CD GLN A 18 7.250 5.590 -15.564 1.00 0.00 C ATOM 213 OE1 GLN A 18 6.516 5.678 -16.549 1.00 0.00 O ATOM 214 NE2 GLN A 18 8.424 6.206 -15.489 1.00 0.00 N ATOM 0 H GLN A 18 5.682 2.976 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 18 8.443 2.033 -12.930 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.528 3.510 -14.799 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.982 2.689 -14.892 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.769 4.594 -14.385 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.065 5.313 -13.451 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.000 6.105 -14.653 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.750 6.780 -16.267 1.00 0.00 H new ATOM 223 N LYS A 19 9.689 4.053 -12.022 1.00 0.00 N ATOM 224 CA LYS A 19 10.395 5.046 -11.222 1.00 0.00 C ATOM 225 C LYS A 19 10.855 6.215 -12.087 1.00 0.00 C ATOM 226 O LYS A 19 11.857 6.120 -12.796 1.00 0.00 O ATOM 227 CB LYS A 19 11.599 4.409 -10.526 1.00 0.00 C ATOM 228 CG LYS A 19 12.482 3.598 -11.459 1.00 0.00 C ATOM 229 CD LYS A 19 13.931 3.605 -11.002 1.00 0.00 C ATOM 230 CE LYS A 19 14.593 4.949 -11.267 1.00 0.00 C ATOM 231 NZ LYS A 19 15.014 5.089 -12.689 1.00 0.00 N ATOM 0 H LYS A 19 10.297 3.450 -12.576 1.00 0.00 H new ATOM 0 HA LYS A 19 9.705 5.424 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.198 5.194 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.244 3.763 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.119 2.571 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.416 4.004 -12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.979 3.379 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.481 2.819 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.901 5.751 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.462 5.060 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.461 6.018 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.694 4.339 -12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.181 5.009 -13.307 1.00 0.00 H new ATOM 245 N VAL A 20 10.116 7.319 -12.023 1.00 0.00 N ATOM 246 CA VAL A 20 10.450 8.508 -12.799 1.00 0.00 C ATOM 247 C VAL A 20 11.651 9.233 -12.204 1.00 0.00 C ATOM 248 O VAL A 20 12.354 9.965 -12.900 1.00 0.00 O ATOM 249 CB VAL A 20 9.260 9.482 -12.872 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.870 9.955 -11.480 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.593 10.663 -13.771 1.00 0.00 C ATOM 0 H VAL A 20 9.283 7.414 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 20 10.696 8.171 -13.806 1.00 0.00 H new ATOM 0 HB VAL A 20 8.408 8.955 -13.302 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.027 10.643 -11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.587 9.097 -10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.716 10.465 -11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.741 11.341 -13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.459 11.191 -13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.818 10.304 -14.775 1.00 0.00 H new ATOM 261 N GLN A 21 11.881 9.024 -10.911 1.00 0.00 N ATOM 262 CA GLN A 21 12.998 9.659 -10.222 1.00 0.00 C ATOM 263 C GLN A 21 13.998 8.618 -9.732 1.00 0.00 C ATOM 264 O GLN A 21 13.632 7.479 -9.441 1.00 0.00 O ATOM 265 CB GLN A 21 12.490 10.490 -9.042 1.00 0.00 C ATOM 266 CG GLN A 21 11.965 11.859 -9.443 1.00 0.00 C ATOM 267 CD GLN A 21 13.073 12.879 -9.624 1.00 0.00 C ATOM 268 OE1 GLN A 21 14.211 12.527 -9.935 1.00 0.00 O ATOM 269 NE2 GLN A 21 12.744 14.151 -9.431 1.00 0.00 N ATOM 0 H GLN A 21 11.309 8.420 -10.320 1.00 0.00 H new ATOM 0 HA GLN A 21 13.503 10.316 -10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.697 9.940 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.299 10.617 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.403 11.770 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.270 12.214 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.788 14.397 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.447 14.882 -9.540 1.00 0.00 H new ATOM 278 N ASP A 22 15.263 9.015 -9.645 1.00 0.00 N ATOM 279 CA ASP A 22 16.317 8.116 -9.190 1.00 0.00 C ATOM 280 C ASP A 22 15.996 7.558 -7.806 1.00 0.00 C ATOM 281 O ASP A 22 16.248 6.387 -7.524 1.00 0.00 O ATOM 282 CB ASP A 22 17.661 8.845 -9.160 1.00 0.00 C ATOM 283 CG ASP A 22 18.346 8.853 -10.513 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.955 9.672 -11.371 1.00 0.00 O ATOM 285 OD2 ASP A 22 19.272 8.040 -10.713 1.00 0.00 O ATOM 0 H ASP A 22 15.583 9.954 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 22 16.379 7.284 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.507 9.872 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.313 8.368 -8.429 1.00 0.00 H new ATOM 290 N SER A 23 15.439 8.406 -6.947 1.00 0.00 N ATOM 291 CA SER A 23 15.089 7.999 -5.591 1.00 0.00 C ATOM 292 C SER A 23 14.038 6.893 -5.610 1.00 0.00 C ATOM 293 O SER A 23 14.117 5.935 -4.842 1.00 0.00 O ATOM 294 CB SER A 23 14.569 9.198 -4.795 1.00 0.00 C ATOM 295 OG SER A 23 15.511 10.256 -4.794 1.00 0.00 O ATOM 0 H SER A 23 15.221 9.378 -7.166 1.00 0.00 H new ATOM 0 HA SER A 23 15.988 7.614 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.629 9.544 -5.225 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.358 8.894 -3.770 1.00 0.00 H new ATOM 0 HG SER A 23 15.155 11.011 -4.280 1.00 0.00 H new ATOM 301 N GLU A 24 13.056 7.034 -6.495 1.00 0.00 N ATOM 302 CA GLU A 24 11.989 6.047 -6.614 1.00 0.00 C ATOM 303 C GLU A 24 12.500 4.770 -7.275 1.00 0.00 C ATOM 304 O GLU A 24 13.538 4.775 -7.937 1.00 0.00 O ATOM 305 CB GLU A 24 10.821 6.620 -7.419 1.00 0.00 C ATOM 306 CG GLU A 24 10.031 7.683 -6.675 1.00 0.00 C ATOM 307 CD GLU A 24 8.964 8.328 -7.537 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.112 8.308 -8.777 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.981 8.852 -6.973 1.00 0.00 O ATOM 0 H GLU A 24 12.977 7.821 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 24 11.642 5.802 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.205 7.047 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.149 5.808 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.563 7.235 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.714 8.452 -6.314 1.00 0.00 H new ATOM 316 N ILE A 25 11.763 3.680 -7.091 1.00 0.00 N ATOM 317 CA ILE A 25 12.141 2.397 -7.671 1.00 0.00 C ATOM 318 C ILE A 25 10.943 1.714 -8.323 1.00 0.00 C ATOM 319 O ILE A 25 9.832 1.750 -7.795 1.00 0.00 O ATOM 320 CB ILE A 25 12.740 1.454 -6.610 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.638 0.000 -7.072 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.033 1.642 -5.275 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.297 -0.636 -6.777 1.00 0.00 C ATOM 0 H ILE A 25 10.901 3.659 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 25 12.896 2.604 -8.430 1.00 0.00 H new ATOM 0 HB ILE A 25 13.794 1.701 -6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.824 -0.046 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.422 -0.582 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.467 0.969 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.153 2.673 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.972 1.419 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.297 -1.667 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.117 -0.623 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.510 -0.078 -7.284 1.00 0.00 H new ATOM 335 N SER A 26 11.178 1.091 -9.473 1.00 0.00 N ATOM 336 CA SER A 26 10.119 0.401 -10.199 1.00 0.00 C ATOM 337 C SER A 26 10.092 -1.082 -9.842 1.00 0.00 C ATOM 338 O SER A 26 11.133 -1.737 -9.783 1.00 0.00 O ATOM 339 CB SER A 26 10.311 0.570 -11.707 1.00 0.00 C ATOM 340 OG SER A 26 11.480 -0.096 -12.151 1.00 0.00 O ATOM 0 H SER A 26 12.093 1.050 -9.922 1.00 0.00 H new ATOM 0 HA SER A 26 9.166 0.844 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.442 0.176 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.378 1.630 -11.952 1.00 0.00 H new ATOM 0 HG SER A 26 11.579 0.026 -13.118 1.00 0.00 H new ATOM 346 N PHE A 27 8.894 -1.606 -9.604 1.00 0.00 N ATOM 347 CA PHE A 27 8.730 -3.011 -9.251 1.00 0.00 C ATOM 348 C PHE A 27 7.661 -3.669 -10.119 1.00 0.00 C ATOM 349 O PHE A 27 6.696 -3.035 -10.546 1.00 0.00 O ATOM 350 CB PHE A 27 8.358 -3.148 -7.773 1.00 0.00 C ATOM 351 CG PHE A 27 7.334 -2.148 -7.318 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.001 -2.294 -7.667 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.704 -1.062 -6.541 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.056 -1.376 -7.250 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.763 -0.141 -6.121 1.00 0.00 C ATOM 356 CZ PHE A 27 5.438 -0.298 -6.476 1.00 0.00 C ATOM 0 H PHE A 27 8.022 -1.078 -9.649 1.00 0.00 H new ATOM 0 HA PHE A 27 9.679 -3.517 -9.428 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.977 -4.153 -7.594 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.258 -3.036 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.697 -3.135 -8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.739 -0.934 -6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.020 -1.501 -7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.064 0.701 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.702 0.421 -6.149 1.00 0.00 H new ATOM 366 N PRO A 28 7.837 -4.971 -10.389 1.00 0.00 N ATOM 367 CA PRO A 28 6.899 -5.744 -11.208 1.00 0.00 C ATOM 368 C PRO A 28 5.565 -5.969 -10.505 1.00 0.00 C ATOM 369 O PRO A 28 5.406 -5.634 -9.332 1.00 0.00 O ATOM 370 CB PRO A 28 7.624 -7.075 -11.417 1.00 0.00 C ATOM 371 CG PRO A 28 8.545 -7.193 -10.252 1.00 0.00 C ATOM 372 CD PRO A 28 8.965 -5.789 -9.913 1.00 0.00 C ATOM 0 HA PRO A 28 6.648 -5.229 -12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.921 -7.907 -11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.174 -7.083 -12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.046 -7.666 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.409 -7.810 -10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.127 -5.666 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.896 -5.517 -10.410 1.00 0.00 H new ATOM 380 N ALA A 29 4.608 -6.538 -11.230 1.00 0.00 N ATOM 381 CA ALA A 29 3.288 -6.810 -10.675 1.00 0.00 C ATOM 382 C ALA A 29 3.214 -8.221 -10.101 1.00 0.00 C ATOM 383 O ALA A 29 3.237 -9.204 -10.840 1.00 0.00 O ATOM 384 CB ALA A 29 2.217 -6.614 -11.738 1.00 0.00 C ATOM 0 H ALA A 29 4.722 -6.820 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 29 3.111 -6.105 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.236 -6.821 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.246 -5.586 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.400 -7.295 -12.569 1.00 0.00 H new ATOM 390 N GLY A 30 3.124 -8.313 -8.778 1.00 0.00 N ATOM 391 CA GLY A 30 3.049 -9.608 -8.128 1.00 0.00 C ATOM 392 C GLY A 30 4.195 -9.840 -7.163 1.00 0.00 C ATOM 393 O GLY A 30 4.654 -10.970 -6.993 1.00 0.00 O ATOM 0 H GLY A 30 3.102 -7.514 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.104 -9.687 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.052 -10.392 -8.885 1.00 0.00 H new ATOM 397 N VAL A 31 4.660 -8.768 -6.530 1.00 0.00 N ATOM 398 CA VAL A 31 5.760 -8.859 -5.577 1.00 0.00 C ATOM 399 C VAL A 31 5.418 -8.149 -4.272 1.00 0.00 C ATOM 400 O VAL A 31 4.699 -7.150 -4.269 1.00 0.00 O ATOM 401 CB VAL A 31 7.054 -8.254 -6.154 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.566 -9.095 -7.313 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.820 -6.816 -6.590 1.00 0.00 C ATOM 0 H VAL A 31 4.292 -7.826 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 31 5.920 -9.919 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 31 7.815 -8.254 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.480 -8.652 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.774 -10.107 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.811 -9.130 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.744 -6.404 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.045 -6.790 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.503 -6.223 -5.732 1.00 0.00 H new ATOM 413 N GLU A 32 5.938 -8.671 -3.166 1.00 0.00 N ATOM 414 CA GLU A 32 5.686 -8.086 -1.854 1.00 0.00 C ATOM 415 C GLU A 32 6.680 -6.967 -1.558 1.00 0.00 C ATOM 416 O GLU A 32 7.815 -6.987 -2.035 1.00 0.00 O ATOM 417 CB GLU A 32 5.772 -9.160 -0.768 1.00 0.00 C ATOM 418 CG GLU A 32 4.903 -8.870 0.444 1.00 0.00 C ATOM 419 CD GLU A 32 4.988 -9.958 1.498 1.00 0.00 C ATOM 420 OE1 GLU A 32 4.710 -11.129 1.164 1.00 0.00 O ATOM 421 OE2 GLU A 32 5.333 -9.638 2.654 1.00 0.00 O ATOM 0 H GLU A 32 6.536 -9.497 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 32 4.681 -7.664 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.479 -10.120 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.809 -9.257 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.205 -7.919 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.867 -8.759 0.125 1.00 0.00 H new ATOM 428 N VAL A 33 6.244 -5.990 -0.769 1.00 0.00 N ATOM 429 CA VAL A 33 7.094 -4.862 -0.408 1.00 0.00 C ATOM 430 C VAL A 33 6.759 -4.344 0.986 1.00 0.00 C ATOM 431 O VAL A 33 5.661 -4.571 1.495 1.00 0.00 O ATOM 432 CB VAL A 33 6.955 -3.708 -1.419 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.588 -4.085 -2.750 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.492 -3.335 -1.602 1.00 0.00 C ATOM 0 H VAL A 33 5.307 -5.957 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 33 8.122 -5.225 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 33 7.482 -2.838 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.480 -3.258 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.646 -4.299 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.092 -4.968 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.412 -2.518 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.940 -4.199 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.074 -3.020 -0.646 1.00 0.00 H new ATOM 444 N GLN A 34 7.711 -3.648 1.598 1.00 0.00 N ATOM 445 CA GLN A 34 7.516 -3.099 2.935 1.00 0.00 C ATOM 446 C GLN A 34 7.238 -1.601 2.872 1.00 0.00 C ATOM 447 O GLN A 34 7.616 -0.928 1.912 1.00 0.00 O ATOM 448 CB GLN A 34 8.747 -3.365 3.803 1.00 0.00 C ATOM 449 CG GLN A 34 8.682 -4.679 4.565 1.00 0.00 C ATOM 450 CD GLN A 34 8.040 -4.530 5.930 1.00 0.00 C ATOM 451 OE1 GLN A 34 8.717 -4.592 6.957 1.00 0.00 O ATOM 452 NE2 GLN A 34 6.727 -4.333 5.950 1.00 0.00 N ATOM 0 H GLN A 34 8.625 -3.451 1.190 1.00 0.00 H new ATOM 0 HA GLN A 34 6.652 -3.592 3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.634 -3.365 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.863 -2.547 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.119 -5.406 3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.690 -5.077 4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.205 -4.288 5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.241 -4.226 6.840 1.00 0.00 H new ATOM 461 N VAL A 35 6.573 -1.083 3.900 1.00 0.00 N ATOM 462 CA VAL A 35 6.244 0.336 3.962 1.00 0.00 C ATOM 463 C VAL A 35 6.915 1.003 5.157 1.00 0.00 C ATOM 464 O VAL A 35 6.428 0.917 6.285 1.00 0.00 O ATOM 465 CB VAL A 35 4.723 0.556 4.052 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.405 2.036 4.198 1.00 0.00 C ATOM 467 CG2 VAL A 35 4.027 -0.030 2.833 1.00 0.00 C ATOM 0 H VAL A 35 6.251 -1.625 4.702 1.00 0.00 H new ATOM 0 HA VAL A 35 6.615 0.788 3.042 1.00 0.00 H new ATOM 0 HB VAL A 35 4.351 0.040 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.325 2.172 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.872 2.421 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.790 2.578 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.952 0.135 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.402 0.455 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.227 -1.100 2.779 1.00 0.00 H new ATOM 477 N LEU A 36 8.035 1.670 4.903 1.00 0.00 N ATOM 478 CA LEU A 36 8.775 2.355 5.959 1.00 0.00 C ATOM 479 C LEU A 36 7.967 3.521 6.520 1.00 0.00 C ATOM 480 O LEU A 36 7.732 3.601 7.726 1.00 0.00 O ATOM 481 CB LEU A 36 10.116 2.859 5.424 1.00 0.00 C ATOM 482 CG LEU A 36 10.907 1.876 4.561 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.268 2.454 4.204 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.064 0.543 5.279 1.00 0.00 C ATOM 0 H LEU A 36 8.451 1.752 3.975 1.00 0.00 H new ATOM 0 HA LEU A 36 8.957 1.642 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.935 3.761 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.737 3.148 6.272 1.00 0.00 H new ATOM 0 HG LEU A 36 10.353 1.706 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.817 1.740 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.135 3.383 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.829 2.654 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.630 -0.145 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.595 0.696 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.080 0.122 5.483 1.00 0.00 H new ATOM 496 N GLU A 37 7.545 4.421 5.638 1.00 0.00 N ATOM 497 CA GLU A 37 6.763 5.582 6.047 1.00 0.00 C ATOM 498 C GLU A 37 5.634 5.854 5.057 1.00 0.00 C ATOM 499 O GLU A 37 5.627 5.324 3.945 1.00 0.00 O ATOM 500 CB GLU A 37 7.661 6.815 6.164 1.00 0.00 C ATOM 501 CG GLU A 37 7.152 7.847 7.157 1.00 0.00 C ATOM 502 CD GLU A 37 8.206 8.874 7.521 1.00 0.00 C ATOM 503 OE1 GLU A 37 9.159 9.052 6.735 1.00 0.00 O ATOM 504 OE2 GLU A 37 8.076 9.501 8.594 1.00 0.00 O ATOM 0 H GLU A 37 7.731 4.369 4.636 1.00 0.00 H new ATOM 0 HA GLU A 37 6.325 5.367 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.661 6.499 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.753 7.281 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.285 8.355 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.816 7.341 8.062 1.00 0.00 H new ATOM 511 N LYS A 38 4.681 6.683 5.468 1.00 0.00 N ATOM 512 CA LYS A 38 3.547 7.027 4.619 1.00 0.00 C ATOM 513 C LYS A 38 3.311 8.534 4.611 1.00 0.00 C ATOM 514 O LYS A 38 3.380 9.187 5.652 1.00 0.00 O ATOM 515 CB LYS A 38 2.286 6.305 5.099 1.00 0.00 C ATOM 516 CG LYS A 38 2.307 4.809 4.841 1.00 0.00 C ATOM 517 CD LYS A 38 0.961 4.172 5.145 1.00 0.00 C ATOM 518 CE LYS A 38 0.931 2.708 4.733 1.00 0.00 C ATOM 519 NZ LYS A 38 1.403 1.814 5.827 1.00 0.00 N ATOM 0 H LYS A 38 4.671 7.130 6.385 1.00 0.00 H new ATOM 0 HA LYS A 38 3.776 6.707 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.162 6.479 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.418 6.739 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.572 4.622 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.078 4.344 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.750 4.255 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.174 4.715 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.085 2.431 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.557 2.566 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.513 0.847 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.318 2.156 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.708 1.815 6.600 1.00 0.00 H new ATOM 533 N GLN A 39 3.030 9.079 3.431 1.00 0.00 N ATOM 534 CA GLN A 39 2.783 10.509 3.290 1.00 0.00 C ATOM 535 C GLN A 39 1.303 10.784 3.048 1.00 0.00 C ATOM 536 O GLN A 39 0.704 10.237 2.123 1.00 0.00 O ATOM 537 CB GLN A 39 3.615 11.080 2.140 1.00 0.00 C ATOM 538 CG GLN A 39 5.047 11.408 2.530 1.00 0.00 C ATOM 539 CD GLN A 39 5.788 12.166 1.446 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.074 13.355 1.588 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.103 11.480 0.354 1.00 0.00 N ATOM 0 H GLN A 39 2.968 8.552 2.560 1.00 0.00 H new ATOM 0 HA GLN A 39 3.077 10.997 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.626 10.363 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.133 11.984 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.044 12.000 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.580 10.483 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.846 10.496 0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.602 11.937 -0.409 1.00 0.00 H new ATOM 550 N GLU A 40 0.719 11.636 3.886 1.00 0.00 N ATOM 551 CA GLU A 40 -0.692 11.982 3.763 1.00 0.00 C ATOM 552 C GLU A 40 -1.088 12.138 2.298 1.00 0.00 C ATOM 553 O GLU A 40 -2.184 11.750 1.895 1.00 0.00 O ATOM 554 CB GLU A 40 -0.991 13.275 4.524 1.00 0.00 C ATOM 555 CG GLU A 40 -1.245 13.064 6.007 1.00 0.00 C ATOM 556 CD GLU A 40 -2.607 12.458 6.284 1.00 0.00 C ATOM 557 OE1 GLU A 40 -3.076 11.649 5.456 1.00 0.00 O ATOM 558 OE2 GLU A 40 -3.204 12.791 7.329 1.00 0.00 O ATOM 0 H GLU A 40 1.201 12.099 4.657 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.278 11.171 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.153 13.961 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.863 13.755 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.472 12.413 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.164 14.019 6.525 1.00 0.00 H new ATOM 565 N SER A 41 -0.187 12.709 1.505 1.00 0.00 N ATOM 566 CA SER A 41 -0.443 12.921 0.085 1.00 0.00 C ATOM 567 C SER A 41 -1.018 11.663 -0.557 1.00 0.00 C ATOM 568 O SER A 41 -2.043 11.711 -1.235 1.00 0.00 O ATOM 569 CB SER A 41 0.846 13.330 -0.632 1.00 0.00 C ATOM 570 OG SER A 41 1.148 14.695 -0.398 1.00 0.00 O ATOM 0 H SER A 41 0.727 13.033 1.822 1.00 0.00 H new ATOM 0 HA SER A 41 -1.174 13.724 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.671 12.707 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.741 13.156 -1.703 1.00 0.00 H new ATOM 0 HG SER A 41 1.976 14.931 -0.865 1.00 0.00 H new ATOM 576 N GLY A 42 -0.349 10.535 -0.338 1.00 0.00 N ATOM 577 CA GLY A 42 -0.807 9.279 -0.901 1.00 0.00 C ATOM 578 C GLY A 42 0.333 8.321 -1.186 1.00 0.00 C ATOM 579 O GLY A 42 0.166 7.104 -1.099 1.00 0.00 O ATOM 0 H GLY A 42 0.502 10.469 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.508 8.809 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.352 9.476 -1.824 1.00 0.00 H new ATOM 583 N TRP A 43 1.492 8.869 -1.529 1.00 0.00 N ATOM 584 CA TRP A 43 2.664 8.054 -1.829 1.00 0.00 C ATOM 585 C TRP A 43 3.346 7.588 -0.548 1.00 0.00 C ATOM 586 O TRP A 43 3.553 8.374 0.377 1.00 0.00 O ATOM 587 CB TRP A 43 3.652 8.843 -2.690 1.00 0.00 C ATOM 588 CG TRP A 43 3.107 9.209 -4.037 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.007 9.977 -4.295 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.635 8.820 -5.310 1.00 0.00 C ATOM 591 NE1 TRP A 43 1.820 10.089 -5.651 1.00 0.00 N ATOM 592 CE2 TRP A 43 2.806 9.389 -6.296 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.729 8.049 -5.712 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.037 9.209 -7.657 1.00 0.00 C ATOM 595 CZ3 TRP A 43 4.957 7.870 -7.063 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.115 8.449 -8.023 1.00 0.00 C ATOM 0 H TRP A 43 1.646 9.874 -1.607 1.00 0.00 H new ATOM 0 HA TRP A 43 2.333 7.175 -2.382 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.937 9.753 -2.162 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.559 8.254 -2.821 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.377 10.429 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.069 10.609 -6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.385 7.601 -4.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.389 9.653 -8.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.798 7.274 -7.385 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.321 8.292 -9.072 1.00 0.00 H new ATOM 607 N TRP A 44 3.692 6.307 -0.500 1.00 0.00 N ATOM 608 CA TRP A 44 4.352 5.737 0.670 1.00 0.00 C ATOM 609 C TRP A 44 5.742 5.222 0.314 1.00 0.00 C ATOM 610 O TRP A 44 5.933 4.590 -0.725 1.00 0.00 O ATOM 611 CB TRP A 44 3.508 4.603 1.254 1.00 0.00 C ATOM 612 CG TRP A 44 2.071 4.976 1.460 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.566 6.235 1.613 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.956 4.082 1.537 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.203 6.178 1.781 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.195 4.868 1.737 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.818 2.693 1.455 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.466 4.310 1.857 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.444 2.142 1.575 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.572 2.948 1.773 1.00 0.00 C ATOM 0 H TRP A 44 3.527 5.643 -1.257 1.00 0.00 H new ATOM 0 HA TRP A 44 4.458 6.524 1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.560 3.741 0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.936 4.295 2.208 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.151 7.143 1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.412 6.980 1.916 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.681 2.063 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.337 4.930 2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.562 1.070 1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.544 2.486 1.861 1.00 0.00 H new ATOM 631 N TYR A 45 6.709 5.496 1.183 1.00 0.00 N ATOM 632 CA TYR A 45 8.083 5.061 0.958 1.00 0.00 C ATOM 633 C TYR A 45 8.219 3.556 1.165 1.00 0.00 C ATOM 634 O TYR A 45 8.214 3.070 2.296 1.00 0.00 O ATOM 635 CB TYR A 45 9.035 5.805 1.897 1.00 0.00 C ATOM 636 CG TYR A 45 10.466 5.833 1.409 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.769 6.211 0.107 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.514 5.482 2.251 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.075 6.238 -0.343 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.823 5.508 1.810 1.00 0.00 C ATOM 641 CZ TYR A 45 13.099 5.886 0.512 1.00 0.00 C ATOM 642 OH TYR A 45 14.401 5.911 0.069 1.00 0.00 O ATOM 0 H TYR A 45 6.567 6.017 2.049 1.00 0.00 H new ATOM 0 HA TYR A 45 8.346 5.292 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.682 6.829 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.004 5.335 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.970 6.488 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.302 5.184 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.293 6.533 -1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.626 5.234 2.478 1.00 0.00 H new ATOM 0 HH TYR A 45 14.458 5.472 -0.805 1.00 0.00 H new ATOM 652 N VAL A 46 8.342 2.822 0.063 1.00 0.00 N ATOM 653 CA VAL A 46 8.482 1.372 0.122 1.00 0.00 C ATOM 654 C VAL A 46 9.935 0.952 -0.069 1.00 0.00 C ATOM 655 O VAL A 46 10.796 1.778 -0.373 1.00 0.00 O ATOM 656 CB VAL A 46 7.614 0.681 -0.946 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.178 0.547 -0.463 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.674 1.448 -2.259 1.00 0.00 C ATOM 0 H VAL A 46 8.347 3.208 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 46 8.144 1.061 1.111 1.00 0.00 H new ATOM 0 HB VAL A 46 8.009 -0.320 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.580 0.056 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.155 -0.048 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.768 1.537 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.055 0.946 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.305 2.462 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.705 1.486 -2.611 1.00 0.00 H new ATOM 668 N ARG A 47 10.200 -0.338 0.110 1.00 0.00 N ATOM 669 CA ARG A 47 11.550 -0.868 -0.043 1.00 0.00 C ATOM 670 C ARG A 47 11.525 -2.222 -0.746 1.00 0.00 C ATOM 671 O ARG A 47 10.887 -3.165 -0.278 1.00 0.00 O ATOM 672 CB ARG A 47 12.225 -1.003 1.324 1.00 0.00 C ATOM 673 CG ARG A 47 13.691 -1.395 1.242 1.00 0.00 C ATOM 674 CD ARG A 47 14.373 -1.284 2.597 1.00 0.00 C ATOM 675 NE ARG A 47 14.040 -2.406 3.471 1.00 0.00 N ATOM 676 CZ ARG A 47 14.555 -3.623 3.333 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.423 -3.873 2.363 1.00 0.00 N ATOM 678 NH2 ARG A 47 14.202 -4.592 4.168 1.00 0.00 N ATOM 0 H ARG A 47 9.499 -1.035 0.361 1.00 0.00 H new ATOM 0 HA ARG A 47 12.121 -0.170 -0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.140 -0.056 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.690 -1.749 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.776 -2.417 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.201 -0.754 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.453 -1.242 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.077 -0.351 3.076 1.00 0.00 H new ATOM 0 HE ARG A 47 13.376 -2.247 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.697 -3.130 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.817 -4.808 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.535 -4.403 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.598 -5.526 4.062 1.00 0.00 H new ATOM 692 N PHE A 48 12.225 -2.311 -1.872 1.00 0.00 N ATOM 693 CA PHE A 48 12.283 -3.549 -2.641 1.00 0.00 C ATOM 694 C PHE A 48 13.710 -4.084 -2.704 1.00 0.00 C ATOM 695 O PHE A 48 14.516 -3.638 -3.519 1.00 0.00 O ATOM 696 CB PHE A 48 11.748 -3.320 -4.056 1.00 0.00 C ATOM 697 CG PHE A 48 11.678 -4.574 -4.880 1.00 0.00 C ATOM 698 CD1 PHE A 48 11.082 -5.718 -4.375 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.207 -4.609 -6.160 1.00 0.00 C ATOM 700 CE1 PHE A 48 11.016 -6.874 -5.130 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.144 -5.761 -6.921 1.00 0.00 C ATOM 702 CZ PHE A 48 11.547 -6.895 -6.405 1.00 0.00 C ATOM 0 H PHE A 48 12.760 -1.541 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 48 11.659 -4.289 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.753 -2.880 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.385 -2.596 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.664 -5.707 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.674 -3.725 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.550 -7.759 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.561 -5.775 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.496 -7.796 -6.998 1.00 0.00 H new ATOM 712 N GLY A 49 14.015 -5.044 -1.836 1.00 0.00 N ATOM 713 CA GLY A 49 15.345 -5.624 -1.809 1.00 0.00 C ATOM 714 C GLY A 49 16.371 -4.693 -1.193 1.00 0.00 C ATOM 715 O GLY A 49 16.363 -4.463 0.016 1.00 0.00 O ATOM 0 H GLY A 49 13.365 -5.430 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.320 -6.556 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.650 -5.874 -2.825 1.00 0.00 H new ATOM 719 N GLU A 50 17.258 -4.158 -2.027 1.00 0.00 N ATOM 720 CA GLU A 50 18.296 -3.249 -1.555 1.00 0.00 C ATOM 721 C GLU A 50 18.069 -1.839 -2.092 1.00 0.00 C ATOM 722 O GLU A 50 19.020 -1.101 -2.352 1.00 0.00 O ATOM 723 CB GLU A 50 19.677 -3.752 -1.981 1.00 0.00 C ATOM 724 CG GLU A 50 19.870 -3.799 -3.488 1.00 0.00 C ATOM 725 CD GLU A 50 21.242 -4.309 -3.884 1.00 0.00 C ATOM 726 OE1 GLU A 50 21.511 -5.510 -3.673 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.045 -3.508 -4.406 1.00 0.00 O ATOM 0 H GLU A 50 17.278 -4.338 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 50 18.248 -3.217 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 20.440 -3.106 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.833 -4.750 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.107 -4.440 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.724 -2.801 -3.901 1.00 0.00 H new ATOM 734 N LEU A 51 16.803 -1.471 -2.256 1.00 0.00 N ATOM 735 CA LEU A 51 16.449 -0.150 -2.762 1.00 0.00 C ATOM 736 C LEU A 51 15.136 0.333 -2.153 1.00 0.00 C ATOM 737 O LEU A 51 14.234 -0.462 -1.892 1.00 0.00 O ATOM 738 CB LEU A 51 16.338 -0.179 -4.287 1.00 0.00 C ATOM 739 CG LEU A 51 17.545 -0.743 -5.037 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.168 -1.088 -6.470 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.700 0.246 -5.011 1.00 0.00 C ATOM 0 H LEU A 51 16.004 -2.070 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 51 17.238 0.545 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.461 -0.767 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.160 0.838 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 51 17.865 -1.657 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.039 -1.488 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.373 -1.834 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.822 -0.190 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.550 -0.173 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.392 1.177 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.987 0.443 -3.978 1.00 0.00 H new ATOM 753 N GLU A 52 15.037 1.640 -1.933 1.00 0.00 N ATOM 754 CA GLU A 52 13.834 2.228 -1.357 1.00 0.00 C ATOM 755 C GLU A 52 13.302 3.353 -2.240 1.00 0.00 C ATOM 756 O GLU A 52 14.006 4.322 -2.521 1.00 0.00 O ATOM 757 CB GLU A 52 14.121 2.760 0.048 1.00 0.00 C ATOM 758 CG GLU A 52 14.585 1.689 1.022 1.00 0.00 C ATOM 759 CD GLU A 52 15.217 2.271 2.271 1.00 0.00 C ATOM 760 OE1 GLU A 52 14.808 3.377 2.684 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.120 1.620 2.837 1.00 0.00 O ATOM 0 H GLU A 52 15.775 2.311 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 52 13.075 1.449 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.883 3.536 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.219 3.230 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.735 1.068 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.304 1.038 0.525 1.00 0.00 H new ATOM 768 N GLY A 53 12.052 3.217 -2.674 1.00 0.00 N ATOM 769 CA GLY A 53 11.446 4.228 -3.521 1.00 0.00 C ATOM 770 C GLY A 53 10.057 4.617 -3.056 1.00 0.00 C ATOM 771 O GLY A 53 9.464 3.940 -2.216 1.00 0.00 O ATOM 0 H GLY A 53 11.449 2.425 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.082 5.113 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.392 3.856 -4.544 1.00 0.00 H new ATOM 775 N TRP A 54 9.538 5.711 -3.601 1.00 0.00 N ATOM 776 CA TRP A 54 8.209 6.190 -3.236 1.00 0.00 C ATOM 777 C TRP A 54 7.169 5.743 -4.257 1.00 0.00 C ATOM 778 O TRP A 54 7.217 6.141 -5.420 1.00 0.00 O ATOM 779 CB TRP A 54 8.208 7.715 -3.122 1.00 0.00 C ATOM 780 CG TRP A 54 9.067 8.229 -2.007 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.400 8.523 -2.067 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.653 8.506 -0.664 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.839 8.966 -0.843 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.786 8.966 0.034 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.435 8.413 0.014 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.735 9.330 1.377 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.387 8.774 1.347 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.530 9.228 2.017 1.00 0.00 C ATOM 0 H TRP A 54 10.016 6.283 -4.297 1.00 0.00 H new ATOM 0 HA TRP A 54 7.948 5.760 -2.269 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.553 8.143 -4.063 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.185 8.060 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.018 8.422 -2.947 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.794 9.249 -0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.548 8.065 -0.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.615 9.680 1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.451 8.705 1.882 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.459 9.503 3.059 1.00 0.00 H new ATOM 799 N ALA A 55 6.230 4.914 -3.814 1.00 0.00 N ATOM 800 CA ALA A 55 5.177 4.415 -4.690 1.00 0.00 C ATOM 801 C ALA A 55 3.799 4.828 -4.183 1.00 0.00 C ATOM 802 O ALA A 55 3.554 4.914 -2.979 1.00 0.00 O ATOM 803 CB ALA A 55 5.264 2.901 -4.811 1.00 0.00 C ATOM 0 H ALA A 55 6.177 4.574 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 55 5.320 4.856 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.472 2.542 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.233 2.624 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.150 2.450 -3.825 1.00 0.00 H new ATOM 809 N PRO A 56 2.877 5.092 -5.120 1.00 0.00 N ATOM 810 CA PRO A 56 1.508 5.501 -4.792 1.00 0.00 C ATOM 811 C PRO A 56 0.697 4.367 -4.173 1.00 0.00 C ATOM 812 O PRO A 56 0.775 3.222 -4.617 1.00 0.00 O ATOM 813 CB PRO A 56 0.922 5.899 -6.148 1.00 0.00 C ATOM 814 CG PRO A 56 1.713 5.125 -7.145 1.00 0.00 C ATOM 815 CD PRO A 56 3.099 5.010 -6.574 1.00 0.00 C ATOM 0 HA PRO A 56 1.488 6.301 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.138 5.654 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.012 6.972 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.276 4.140 -7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.729 5.633 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.573 4.070 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.747 5.812 -6.927 1.00 0.00 H new ATOM 823 N SER A 57 -0.080 4.694 -3.145 1.00 0.00 N ATOM 824 CA SER A 57 -0.903 3.702 -2.463 1.00 0.00 C ATOM 825 C SER A 57 -1.879 3.045 -3.435 1.00 0.00 C ATOM 826 O SER A 57 -2.250 1.883 -3.268 1.00 0.00 O ATOM 827 CB SER A 57 -1.673 4.352 -1.312 1.00 0.00 C ATOM 828 OG SER A 57 -2.649 3.468 -0.788 1.00 0.00 O ATOM 0 H SER A 57 -0.157 5.638 -2.766 1.00 0.00 H new ATOM 0 HA SER A 57 -0.243 2.933 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.979 4.641 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.155 5.265 -1.662 1.00 0.00 H new ATOM 0 HG SER A 57 -2.628 3.501 0.191 1.00 0.00 H new ATOM 834 N HIS A 58 -2.289 3.797 -4.451 1.00 0.00 N ATOM 835 CA HIS A 58 -3.221 3.288 -5.451 1.00 0.00 C ATOM 836 C HIS A 58 -2.715 1.979 -6.049 1.00 0.00 C ATOM 837 O HIS A 58 -3.489 1.050 -6.279 1.00 0.00 O ATOM 838 CB HIS A 58 -3.428 4.322 -6.559 1.00 0.00 C ATOM 839 CG HIS A 58 -3.699 5.703 -6.046 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.728 6.678 -5.962 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.840 6.270 -5.591 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.260 7.785 -5.476 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.541 7.564 -5.242 1.00 0.00 N ATOM 0 H HIS A 58 -1.991 4.760 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.175 3.097 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.541 4.346 -7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.261 4.007 -7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.806 5.794 -5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.737 8.713 -5.300 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.201 8.244 -4.864 1.00 0.00 H new ATOM 852 N TYR A 59 -1.412 1.913 -6.299 1.00 0.00 N ATOM 853 CA TYR A 59 -0.803 0.719 -6.873 1.00 0.00 C ATOM 854 C TYR A 59 -0.712 -0.398 -5.838 1.00 0.00 C ATOM 855 O TYR A 59 -0.868 -1.576 -6.163 1.00 0.00 O ATOM 856 CB TYR A 59 0.590 1.042 -7.415 1.00 0.00 C ATOM 857 CG TYR A 59 0.571 1.865 -8.684 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.170 3.038 -8.762 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.292 1.470 -9.803 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.191 3.794 -9.919 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.278 2.220 -10.963 1.00 0.00 C ATOM 862 CZ TYR A 59 0.535 3.380 -11.016 1.00 0.00 C ATOM 863 OH TYR A 59 0.517 4.129 -12.171 1.00 0.00 O ATOM 0 H TYR A 59 -0.757 2.673 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.435 0.379 -7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.152 1.580 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.122 0.110 -7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.739 3.364 -7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.874 0.561 -9.766 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.772 4.703 -9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.846 1.899 -11.824 1.00 0.00 H new ATOM 0 HH TYR A 59 1.081 3.700 -12.848 1.00 0.00 H new ATOM 873 N LEU A 60 -0.460 -0.019 -4.590 1.00 0.00 N ATOM 874 CA LEU A 60 -0.349 -0.987 -3.505 1.00 0.00 C ATOM 875 C LEU A 60 -1.728 -1.428 -3.025 1.00 0.00 C ATOM 876 O LEU A 60 -2.628 -0.607 -2.852 1.00 0.00 O ATOM 877 CB LEU A 60 0.442 -0.389 -2.340 1.00 0.00 C ATOM 878 CG LEU A 60 1.879 0.033 -2.650 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.494 0.750 -1.458 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.717 -1.176 -3.039 1.00 0.00 C ATOM 0 H LEU A 60 -0.329 0.951 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 60 0.180 -1.861 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.099 0.481 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.466 -1.119 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 60 1.861 0.724 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.516 1.043 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.907 1.639 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.500 0.083 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.737 -0.857 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.728 -1.891 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.288 -1.647 -3.923 1.00 0.00 H new ATOM 892 N VAL A 61 -1.885 -2.730 -2.809 1.00 0.00 N ATOM 893 CA VAL A 61 -3.153 -3.281 -2.346 1.00 0.00 C ATOM 894 C VAL A 61 -3.147 -3.477 -0.834 1.00 0.00 C ATOM 895 O VAL A 61 -2.328 -4.224 -0.297 1.00 0.00 O ATOM 896 CB VAL A 61 -3.463 -4.627 -3.026 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.411 -5.664 -2.663 1.00 0.00 C ATOM 898 CG2 VAL A 61 -4.854 -5.110 -2.643 1.00 0.00 C ATOM 0 H VAL A 61 -1.150 -3.423 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.927 -2.562 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.438 -4.482 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.647 -6.609 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.431 -5.319 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.400 -5.808 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.056 -6.063 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.910 -5.239 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.594 -4.375 -2.959 1.00 0.00 H new ATOM 908 N LEU A 62 -4.066 -2.803 -0.151 1.00 0.00 N ATOM 909 CA LEU A 62 -4.168 -2.904 1.300 1.00 0.00 C ATOM 910 C LEU A 62 -4.913 -4.171 1.707 1.00 0.00 C ATOM 911 O LEU A 62 -5.509 -4.849 0.870 1.00 0.00 O ATOM 912 CB LEU A 62 -4.881 -1.675 1.868 1.00 0.00 C ATOM 913 CG LEU A 62 -4.676 -0.367 1.102 1.00 0.00 C ATOM 914 CD1 LEU A 62 -3.302 -0.340 0.450 1.00 0.00 C ATOM 915 CD2 LEU A 62 -5.768 -0.184 0.058 1.00 0.00 C ATOM 0 H LEU A 62 -4.751 -2.181 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.158 -2.952 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.950 -1.886 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.546 -1.528 2.895 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.736 0.460 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.174 0.598 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.533 -0.424 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.213 -1.175 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.606 0.752 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.740 -1.015 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.741 -0.157 0.550 1.00 0.00 H new ATOM 927 N ASP A 63 -4.877 -4.483 2.998 1.00 0.00 N ATOM 928 CA ASP A 63 -5.552 -5.667 3.517 1.00 0.00 C ATOM 929 C ASP A 63 -6.953 -5.321 4.012 1.00 0.00 C ATOM 930 O ASP A 63 -7.126 -4.854 5.137 1.00 0.00 O ATOM 931 CB ASP A 63 -4.736 -6.289 4.652 1.00 0.00 C ATOM 932 CG ASP A 63 -3.266 -6.418 4.305 1.00 0.00 C ATOM 933 OD1 ASP A 63 -2.929 -7.281 3.467 1.00 0.00 O ATOM 934 OD2 ASP A 63 -2.453 -5.658 4.871 1.00 0.00 O ATOM 0 H ASP A 63 -4.388 -3.933 3.704 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.641 -6.389 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.842 -5.679 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.139 -7.274 4.887 1.00 0.00 H new ATOM 939 N GLU A 64 -7.949 -5.554 3.162 1.00 0.00 N ATOM 940 CA GLU A 64 -9.335 -5.264 3.513 1.00 0.00 C ATOM 941 C GLU A 64 -10.141 -6.552 3.650 1.00 0.00 C ATOM 942 O GLU A 64 -10.367 -7.262 2.671 1.00 0.00 O ATOM 943 CB GLU A 64 -9.973 -4.359 2.458 1.00 0.00 C ATOM 944 CG GLU A 64 -10.264 -5.066 1.145 1.00 0.00 C ATOM 945 CD GLU A 64 -10.543 -4.099 0.011 1.00 0.00 C ATOM 946 OE1 GLU A 64 -11.683 -3.599 -0.077 1.00 0.00 O ATOM 947 OE2 GLU A 64 -9.619 -3.842 -0.790 1.00 0.00 O ATOM 0 H GLU A 64 -7.822 -5.942 2.227 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.340 -4.748 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.903 -3.951 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.311 -3.515 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.415 -5.696 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.122 -5.726 1.274 1.00 0.00 H new ATOM 954 N ASN A 65 -10.573 -6.846 4.872 1.00 0.00 N ATOM 955 CA ASN A 65 -11.354 -8.049 5.138 1.00 0.00 C ATOM 956 C ASN A 65 -10.721 -9.267 4.473 1.00 0.00 C ATOM 957 O ASN A 65 -11.420 -10.177 4.029 1.00 0.00 O ATOM 958 CB ASN A 65 -12.790 -7.870 4.640 1.00 0.00 C ATOM 959 CG ASN A 65 -13.690 -7.238 5.684 1.00 0.00 C ATOM 960 OD1 ASN A 65 -13.991 -6.046 5.620 1.00 0.00 O ATOM 961 ND2 ASN A 65 -14.123 -8.036 6.653 1.00 0.00 N ATOM 0 H ASN A 65 -10.396 -6.268 5.694 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.368 -8.212 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.786 -7.249 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.196 -8.840 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.731 -7.667 7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.848 -9.018 6.666 1.00 0.00 H new ATOM 968 N GLU A 66 -9.393 -9.275 4.408 1.00 0.00 N ATOM 969 CA GLU A 66 -8.666 -10.382 3.796 1.00 0.00 C ATOM 970 C GLU A 66 -7.177 -10.296 4.116 1.00 0.00 C ATOM 971 O GLU A 66 -6.492 -9.369 3.685 1.00 0.00 O ATOM 972 CB GLU A 66 -8.875 -10.382 2.280 1.00 0.00 C ATOM 973 CG GLU A 66 -8.215 -11.556 1.575 1.00 0.00 C ATOM 974 CD GLU A 66 -8.972 -12.855 1.773 1.00 0.00 C ATOM 975 OE1 GLU A 66 -9.124 -13.281 2.937 1.00 0.00 O ATOM 976 OE2 GLU A 66 -9.412 -13.445 0.764 1.00 0.00 O ATOM 0 H GLU A 66 -8.799 -8.529 4.771 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.056 -11.313 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.944 -10.397 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.481 -9.453 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.142 -11.341 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.197 -11.673 1.947 1.00 0.00 H new ATOM 983 N GLN A 67 -6.683 -11.270 4.874 1.00 0.00 N ATOM 984 CA GLN A 67 -5.275 -11.304 5.252 1.00 0.00 C ATOM 985 C GLN A 67 -4.626 -12.613 4.814 1.00 0.00 C ATOM 986 O GLN A 67 -4.533 -13.574 5.578 1.00 0.00 O ATOM 987 CB GLN A 67 -5.128 -11.129 6.764 1.00 0.00 C ATOM 988 CG GLN A 67 -5.433 -9.720 7.246 1.00 0.00 C ATOM 989 CD GLN A 67 -6.901 -9.516 7.563 1.00 0.00 C ATOM 990 OE1 GLN A 67 -7.738 -10.365 7.254 1.00 0.00 O ATOM 991 NE2 GLN A 67 -7.222 -8.387 8.183 1.00 0.00 N ATOM 0 H GLN A 67 -7.237 -12.045 5.238 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.768 -10.482 4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.794 -11.829 7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.111 -11.391 7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.840 -9.508 8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.127 -9.005 6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.496 -7.711 8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.195 -8.195 8.422 1.00 0.00 H new ATOM 1000 N PRO A 68 -4.165 -12.653 3.555 1.00 0.00 N ATOM 1001 CA PRO A 68 -3.516 -13.838 2.987 1.00 0.00 C ATOM 1002 C PRO A 68 -2.144 -14.098 3.601 1.00 0.00 C ATOM 1003 O PRO A 68 -1.117 -13.754 3.018 1.00 0.00 O ATOM 1004 CB PRO A 68 -3.379 -13.491 1.503 1.00 0.00 C ATOM 1005 CG PRO A 68 -3.357 -12.002 1.462 1.00 0.00 C ATOM 1006 CD PRO A 68 -4.242 -11.544 2.589 1.00 0.00 C ATOM 0 HA PRO A 68 -4.089 -14.746 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.467 -13.912 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.212 -13.891 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.342 -11.623 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.722 -11.632 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.889 -10.608 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.265 -11.374 2.253 1.00 0.00 H new ATOM 1014 N ASP A 69 -2.136 -14.708 4.781 1.00 0.00 N ATOM 1015 CA ASP A 69 -0.890 -15.016 5.474 1.00 0.00 C ATOM 1016 C ASP A 69 0.149 -13.925 5.235 1.00 0.00 C ATOM 1017 O ASP A 69 1.280 -14.190 4.827 1.00 0.00 O ATOM 1018 CB ASP A 69 -0.345 -16.368 5.011 1.00 0.00 C ATOM 1019 CG ASP A 69 0.671 -16.944 5.977 1.00 0.00 C ATOM 1020 OD1 ASP A 69 0.292 -17.244 7.128 1.00 0.00 O ATOM 1021 OD2 ASP A 69 1.846 -17.096 5.581 1.00 0.00 O ATOM 0 H ASP A 69 -2.978 -14.999 5.278 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.100 -15.064 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.171 -17.070 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.115 -16.254 4.029 1.00 0.00 H new ATOM 1026 N PRO A 70 -0.243 -12.668 5.492 1.00 0.00 N ATOM 1027 CA PRO A 70 0.640 -11.512 5.311 1.00 0.00 C ATOM 1028 C PRO A 70 1.766 -11.476 6.338 1.00 0.00 C ATOM 1029 O PRO A 70 1.539 -11.685 7.530 1.00 0.00 O ATOM 1030 CB PRO A 70 -0.298 -10.317 5.502 1.00 0.00 C ATOM 1031 CG PRO A 70 -1.401 -10.835 6.358 1.00 0.00 C ATOM 1032 CD PRO A 70 -1.577 -12.280 5.979 1.00 0.00 C ATOM 0 HA PRO A 70 1.140 -11.528 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.216 -9.483 5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.676 -9.953 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.154 -10.736 7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.320 -10.273 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.885 -12.885 6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.338 -12.404 5.209 1.00 0.00 H new ATOM 1040 N SER A 71 2.981 -11.209 5.869 1.00 0.00 N ATOM 1041 CA SER A 71 4.143 -11.148 6.747 1.00 0.00 C ATOM 1042 C SER A 71 5.366 -10.633 5.994 1.00 0.00 C ATOM 1043 O SER A 71 5.636 -11.046 4.868 1.00 0.00 O ATOM 1044 CB SER A 71 4.437 -12.530 7.335 1.00 0.00 C ATOM 1045 OG SER A 71 4.674 -13.480 6.311 1.00 0.00 O ATOM 0 H SER A 71 3.186 -11.032 4.886 1.00 0.00 H new ATOM 0 HA SER A 71 3.919 -10.456 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.306 -12.472 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.596 -12.854 7.948 1.00 0.00 H new ATOM 0 HG SER A 71 4.861 -14.354 6.713 1.00 0.00 H new ATOM 1051 N GLY A 72 6.104 -9.725 6.628 1.00 0.00 N ATOM 1052 CA GLY A 72 7.290 -9.167 6.004 1.00 0.00 C ATOM 1053 C GLY A 72 8.417 -8.949 6.994 1.00 0.00 C ATOM 1054 O GLY A 72 8.796 -7.812 7.274 1.00 0.00 O ATOM 0 H GLY A 72 5.902 -9.367 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.630 -9.836 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.036 -8.218 5.532 1.00 0.00 H new ATOM 1058 N LYS A 73 8.954 -10.041 7.527 1.00 0.00 N ATOM 1059 CA LYS A 73 10.044 -9.965 8.492 1.00 0.00 C ATOM 1060 C LYS A 73 11.323 -10.564 7.916 1.00 0.00 C ATOM 1061 O LYS A 73 11.440 -11.781 7.774 1.00 0.00 O ATOM 1062 CB LYS A 73 9.663 -10.695 9.782 1.00 0.00 C ATOM 1063 CG LYS A 73 8.455 -10.099 10.484 1.00 0.00 C ATOM 1064 CD LYS A 73 7.854 -11.072 11.484 1.00 0.00 C ATOM 1065 CE LYS A 73 8.570 -11.007 12.824 1.00 0.00 C ATOM 1066 NZ LYS A 73 7.671 -11.381 13.951 1.00 0.00 N ATOM 0 H LYS A 73 8.652 -10.990 7.307 1.00 0.00 H new ATOM 0 HA LYS A 73 10.224 -8.914 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.459 -11.741 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.513 -10.679 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.747 -9.183 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.702 -9.825 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.797 -10.845 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.913 -12.086 11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.431 -11.675 12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.952 -9.999 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.196 -11.324 14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.862 -10.728 13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.326 -12.352 13.812 1.00 0.00 H new ATOM 1080 N GLU A 74 12.280 -9.702 7.587 1.00 0.00 N ATOM 1081 CA GLU A 74 13.550 -10.147 7.027 1.00 0.00 C ATOM 1082 C GLU A 74 14.723 -9.601 7.836 1.00 0.00 C ATOM 1083 O GLU A 74 14.622 -8.545 8.460 1.00 0.00 O ATOM 1084 CB GLU A 74 13.673 -9.704 5.567 1.00 0.00 C ATOM 1085 CG GLU A 74 12.904 -10.585 4.597 1.00 0.00 C ATOM 1086 CD GLU A 74 13.251 -10.300 3.149 1.00 0.00 C ATOM 1087 OE1 GLU A 74 14.398 -10.587 2.746 1.00 0.00 O ATOM 1088 OE2 GLU A 74 12.376 -9.790 2.419 1.00 0.00 O ATOM 0 H GLU A 74 12.199 -8.691 7.699 1.00 0.00 H new ATOM 0 HA GLU A 74 13.575 -11.236 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.315 -8.679 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.726 -9.700 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.114 -11.632 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.835 -10.436 4.746 1.00 0.00 H new ATOM 1095 N SER A 75 15.835 -10.329 7.821 1.00 0.00 N ATOM 1096 CA SER A 75 17.026 -9.921 8.556 1.00 0.00 C ATOM 1097 C SER A 75 18.231 -10.765 8.150 1.00 0.00 C ATOM 1098 O SER A 75 18.313 -11.948 8.478 1.00 0.00 O ATOM 1099 CB SER A 75 16.788 -10.043 10.062 1.00 0.00 C ATOM 1100 OG SER A 75 16.246 -8.845 10.592 1.00 0.00 O ATOM 0 H SER A 75 15.936 -11.205 7.308 1.00 0.00 H new ATOM 0 HA SER A 75 17.235 -8.880 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.108 -10.872 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.727 -10.274 10.564 1.00 0.00 H new ATOM 0 HG SER A 75 15.611 -8.462 9.952 1.00 0.00 H new ATOM 1106 N GLY A 76 19.165 -10.146 7.434 1.00 0.00 N ATOM 1107 CA GLY A 76 20.353 -10.854 6.994 1.00 0.00 C ATOM 1108 C GLY A 76 21.610 -10.020 7.135 1.00 0.00 C ATOM 1109 O GLY A 76 22.219 -9.951 8.203 1.00 0.00 O ATOM 0 H GLY A 76 19.120 -9.167 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 76 20.462 -11.770 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 76 20.231 -11.149 5.952 1.00 0.00 H new ATOM 1113 N PRO A 77 22.019 -9.367 6.037 1.00 0.00 N ATOM 1114 CA PRO A 77 23.216 -8.523 6.017 1.00 0.00 C ATOM 1115 C PRO A 77 23.038 -7.244 6.829 1.00 0.00 C ATOM 1116 O PRO A 77 23.905 -6.874 7.621 1.00 0.00 O ATOM 1117 CB PRO A 77 23.394 -8.193 4.533 1.00 0.00 C ATOM 1118 CG PRO A 77 22.027 -8.314 3.952 1.00 0.00 C ATOM 1119 CD PRO A 77 21.342 -9.403 4.729 1.00 0.00 C ATOM 0 HA PRO A 77 24.075 -9.025 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 77 23.795 -7.189 4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 77 24.090 -8.882 4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 77 21.483 -7.373 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 77 22.074 -8.562 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 77 20.272 -9.216 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 77 21.454 -10.373 4.245 1.00 0.00 H new ATOM 1127 N SER A 78 21.908 -6.574 6.628 1.00 0.00 N ATOM 1128 CA SER A 78 21.617 -5.335 7.339 1.00 0.00 C ATOM 1129 C SER A 78 22.138 -5.396 8.772 1.00 0.00 C ATOM 1130 O SER A 78 21.659 -6.186 9.585 1.00 0.00 O ATOM 1131 CB SER A 78 20.111 -5.065 7.343 1.00 0.00 C ATOM 1132 OG SER A 78 19.840 -3.688 7.541 1.00 0.00 O ATOM 0 H SER A 78 21.179 -6.869 5.978 1.00 0.00 H new ATOM 0 HA SER A 78 22.123 -4.521 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.677 -5.392 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.636 -5.649 8.131 1.00 0.00 H new ATOM 0 HG SER A 78 18.871 -3.542 7.538 1.00 0.00 H new ATOM 1138 N SER A 79 23.123 -4.556 9.074 1.00 0.00 N ATOM 1139 CA SER A 79 23.712 -4.516 10.407 1.00 0.00 C ATOM 1140 C SER A 79 22.944 -3.558 11.312 1.00 0.00 C ATOM 1141 O SER A 79 22.406 -3.958 12.344 1.00 0.00 O ATOM 1142 CB SER A 79 25.180 -4.092 10.326 1.00 0.00 C ATOM 1143 OG SER A 79 25.760 -4.014 11.616 1.00 0.00 O ATOM 0 H SER A 79 23.530 -3.894 8.413 1.00 0.00 H new ATOM 0 HA SER A 79 23.653 -5.517 10.834 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.735 -4.806 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.255 -3.124 9.831 1.00 0.00 H new ATOM 0 HG SER A 79 26.698 -3.743 11.537 1.00 0.00 H new ATOM 1149 N GLY A 80 22.897 -2.289 10.917 1.00 0.00 N ATOM 1150 CA GLY A 80 22.193 -1.293 11.703 1.00 0.00 C ATOM 1151 C GLY A 80 22.697 0.113 11.443 1.00 0.00 C ATOM 1152 O GLY A 80 22.648 0.970 12.326 1.00 0.00 O ATOM 0 H GLY A 80 23.334 -1.933 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.128 -1.342 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.304 -1.525 12.762 1.00 0.00 H new TER 1156 GLY A 80