USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 4 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 100:sc= -0.949 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 165:sc=-0.00223 (180deg=-0.25) USER MOD Single : A 21 ASN : amide:sc=-0.00316 K(o=-0.0032,f=-0.58) USER MOD Single : A 23 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -151:sc= -1.65 USER MOD Single : A 39 SER OG : rot 180:sc= -0.321 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.297 K(o=-0.3,f=0.67) USER MOD Single : A 52 GLN : amide:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.343 USER MOD Single : A 59 ASN : amide:sc= -2.1 K(o=-2.1,f=-9.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 59.646 23.332 4.573 1.00 0.00 N ATOM 2 CA GLY A 1 58.457 24.085 4.081 1.00 0.00 C ATOM 3 C GLY A 1 57.898 23.398 2.834 1.00 0.00 C ATOM 4 O GLY A 1 58.567 23.292 1.822 1.00 0.00 O ATOM 0 H1 GLY A 1 60.026 23.799 5.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 59.367 22.359 4.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 60.376 23.312 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 57.694 24.129 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 1 58.735 25.113 3.849 1.00 0.00 H new ATOM 10 N SER A 2 56.677 22.932 2.900 1.00 0.00 N ATOM 11 CA SER A 2 56.064 22.250 1.720 1.00 0.00 C ATOM 12 C SER A 2 55.245 23.248 0.898 1.00 0.00 C ATOM 13 O SER A 2 55.340 24.447 1.089 1.00 0.00 O ATOM 14 CB SER A 2 55.158 21.173 2.314 1.00 0.00 C ATOM 15 OG SER A 2 55.952 20.223 3.013 1.00 0.00 O ATOM 0 H SER A 2 56.077 22.995 3.722 1.00 0.00 H new ATOM 0 HA SER A 2 56.814 21.829 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 54.432 21.625 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 54.593 20.680 1.523 1.00 0.00 H new ATOM 0 HG SER A 2 55.373 19.532 3.397 1.00 0.00 H new ATOM 21 N MET A 3 54.443 22.760 -0.014 1.00 0.00 N ATOM 22 CA MET A 3 53.613 23.674 -0.856 1.00 0.00 C ATOM 23 C MET A 3 52.167 23.171 -0.914 1.00 0.00 C ATOM 24 O MET A 3 51.243 23.874 -0.552 1.00 0.00 O ATOM 25 CB MET A 3 54.253 23.625 -2.243 1.00 0.00 C ATOM 26 CG MET A 3 53.663 24.734 -3.117 1.00 0.00 C ATOM 27 SD MET A 3 54.835 25.155 -4.430 1.00 0.00 S ATOM 28 CE MET A 3 55.618 26.556 -3.596 1.00 0.00 C ATOM 0 H MET A 3 54.327 21.766 -0.212 1.00 0.00 H new ATOM 0 HA MET A 3 53.581 24.688 -0.458 1.00 0.00 H new ATOM 0 HB2 MET A 3 55.333 23.748 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 3 54.076 22.652 -2.703 1.00 0.00 H new ATOM 0 HG2 MET A 3 52.718 24.407 -3.550 1.00 0.00 H new ATOM 0 HG3 MET A 3 53.448 25.614 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 3 56.390 26.978 -4.240 1.00 0.00 H new ATOM 0 HE2 MET A 3 54.868 27.317 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 3 56.069 26.218 -2.663 1.00 0.00 H new ATOM 38 N SER A 4 51.970 21.959 -1.367 1.00 0.00 N ATOM 39 CA SER A 4 50.587 21.402 -1.453 1.00 0.00 C ATOM 40 C SER A 4 50.638 19.879 -1.601 1.00 0.00 C ATOM 41 O SER A 4 50.303 19.147 -0.688 1.00 0.00 O ATOM 42 CB SER A 4 49.978 22.041 -2.700 1.00 0.00 C ATOM 43 OG SER A 4 48.717 21.443 -2.966 1.00 0.00 O ATOM 0 H SER A 4 52.709 21.330 -1.682 1.00 0.00 H new ATOM 0 HA SER A 4 50.001 21.615 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 4 49.860 23.114 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 4 50.644 21.908 -3.553 1.00 0.00 H new ATOM 0 HG SER A 4 48.323 21.852 -3.765 1.00 0.00 H new ATOM 49 N THR A 5 51.056 19.400 -2.745 1.00 0.00 N ATOM 50 CA THR A 5 51.133 17.924 -2.963 1.00 0.00 C ATOM 51 C THR A 5 52.594 17.473 -3.057 1.00 0.00 C ATOM 52 O THR A 5 52.898 16.461 -3.661 1.00 0.00 O ATOM 53 CB THR A 5 50.411 17.682 -4.290 1.00 0.00 C ATOM 54 OG1 THR A 5 49.160 18.357 -4.275 1.00 0.00 O ATOM 55 CG2 THR A 5 50.183 16.183 -4.483 1.00 0.00 C ATOM 0 H THR A 5 51.348 19.969 -3.539 1.00 0.00 H new ATOM 0 HA THR A 5 50.683 17.364 -2.144 1.00 0.00 H new ATOM 0 HB THR A 5 51.020 18.062 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 5 48.696 18.205 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.669 16.012 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 51.143 15.667 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 5 49.574 15.799 -3.664 1.00 0.00 H new ATOM 63 N SER A 6 53.499 18.211 -2.461 1.00 0.00 N ATOM 64 CA SER A 6 54.943 17.819 -2.511 1.00 0.00 C ATOM 65 C SER A 6 55.131 16.453 -1.848 1.00 0.00 C ATOM 66 O SER A 6 55.998 15.684 -2.218 1.00 0.00 O ATOM 67 CB SER A 6 55.685 18.903 -1.727 1.00 0.00 C ATOM 68 OG SER A 6 56.994 19.054 -2.261 1.00 0.00 O ATOM 0 H SER A 6 53.301 19.067 -1.943 1.00 0.00 H new ATOM 0 HA SER A 6 55.315 17.738 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 55.144 19.847 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.739 18.633 -0.672 1.00 0.00 H new ATOM 0 HG SER A 6 57.472 19.749 -1.763 1.00 0.00 H new ATOM 74 N GLU A 7 54.314 16.149 -0.873 1.00 0.00 N ATOM 75 CA GLU A 7 54.419 14.834 -0.175 1.00 0.00 C ATOM 76 C GLU A 7 53.593 13.788 -0.926 1.00 0.00 C ATOM 77 O GLU A 7 53.320 13.930 -2.103 1.00 0.00 O ATOM 78 CB GLU A 7 53.845 15.082 1.226 1.00 0.00 C ATOM 79 CG GLU A 7 54.649 16.178 1.930 1.00 0.00 C ATOM 80 CD GLU A 7 56.065 15.672 2.212 1.00 0.00 C ATOM 81 OE1 GLU A 7 56.187 14.617 2.814 1.00 0.00 O ATOM 82 OE2 GLU A 7 57.003 16.346 1.821 1.00 0.00 O ATOM 0 H GLU A 7 53.574 16.760 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 7 55.442 14.461 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 7 52.798 15.376 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 7 53.878 14.162 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 7 54.688 17.072 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 7 54.160 16.460 2.862 1.00 0.00 H new ATOM 89 N LEU A 8 53.190 12.736 -0.256 1.00 0.00 N ATOM 90 CA LEU A 8 52.374 11.664 -0.918 1.00 0.00 C ATOM 91 C LEU A 8 53.104 11.114 -2.148 1.00 0.00 C ATOM 92 O LEU A 8 52.708 11.351 -3.275 1.00 0.00 O ATOM 93 CB LEU A 8 51.049 12.334 -1.330 1.00 0.00 C ATOM 94 CG LEU A 8 49.974 12.103 -0.258 1.00 0.00 C ATOM 95 CD1 LEU A 8 49.710 10.603 -0.100 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.439 12.686 1.082 1.00 0.00 C ATOM 0 H LEU A 8 53.392 12.571 0.730 1.00 0.00 H new ATOM 0 HA LEU A 8 52.203 10.822 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 8 51.204 13.403 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 8 50.712 11.930 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 8 49.054 12.600 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.946 10.446 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 8 49.365 10.192 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 8 50.630 10.101 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.671 12.518 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 51.364 12.198 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 8 50.613 13.756 0.972 1.00 0.00 H new ATOM 108 N LYS A 9 54.163 10.376 -1.935 1.00 0.00 N ATOM 109 CA LYS A 9 54.925 9.799 -3.082 1.00 0.00 C ATOM 110 C LYS A 9 54.700 8.287 -3.147 1.00 0.00 C ATOM 111 O LYS A 9 54.076 7.708 -2.278 1.00 0.00 O ATOM 112 CB LYS A 9 56.392 10.112 -2.783 1.00 0.00 C ATOM 113 CG LYS A 9 56.751 11.479 -3.368 1.00 0.00 C ATOM 114 CD LYS A 9 57.950 12.059 -2.613 1.00 0.00 C ATOM 115 CE LYS A 9 58.317 13.420 -3.207 1.00 0.00 C ATOM 116 NZ LYS A 9 59.277 14.015 -2.237 1.00 0.00 N ATOM 0 H LYS A 9 54.534 10.148 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 9 54.611 10.212 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.564 10.109 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.034 9.342 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.987 11.382 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 55.899 12.154 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.710 12.165 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.800 11.379 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.768 13.312 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 9 57.435 14.049 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.576 14.952 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 58.818 14.112 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 60.109 13.397 -2.149 1.00 0.00 H new ATOM 130 N LYS A 10 55.202 7.644 -4.170 1.00 0.00 N ATOM 131 CA LYS A 10 55.019 6.167 -4.295 1.00 0.00 C ATOM 132 C LYS A 10 56.272 5.437 -3.799 1.00 0.00 C ATOM 133 O LYS A 10 57.216 6.052 -3.338 1.00 0.00 O ATOM 134 CB LYS A 10 54.797 5.919 -5.788 1.00 0.00 C ATOM 135 CG LYS A 10 53.364 6.306 -6.170 1.00 0.00 C ATOM 136 CD LYS A 10 53.372 7.048 -7.510 1.00 0.00 C ATOM 137 CE LYS A 10 53.409 8.559 -7.259 1.00 0.00 C ATOM 138 NZ LYS A 10 53.890 9.149 -8.539 1.00 0.00 N ATOM 0 H LYS A 10 55.732 8.079 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 10 54.185 5.799 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.509 6.501 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.975 4.869 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.742 5.414 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.928 6.938 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.237 6.746 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.485 6.786 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 10 52.422 8.940 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.078 8.806 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.942 10.184 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.834 8.773 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.230 8.903 -9.304 1.00 0.00 H new ATOM 152 N VAL A 11 56.285 4.133 -3.891 1.00 0.00 N ATOM 153 CA VAL A 11 57.471 3.344 -3.427 1.00 0.00 C ATOM 154 C VAL A 11 57.541 2.022 -4.187 1.00 0.00 C ATOM 155 O VAL A 11 56.550 1.540 -4.693 1.00 0.00 O ATOM 156 CB VAL A 11 57.268 3.091 -1.928 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.452 4.403 -1.164 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.866 2.528 -1.664 1.00 0.00 C ATOM 0 H VAL A 11 55.520 3.574 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 11 58.403 3.879 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 11 58.003 2.362 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.308 4.227 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.458 4.786 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.721 5.133 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.739 2.354 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.117 3.241 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.744 1.588 -2.201 1.00 0.00 H new ATOM 168 N VAL A 12 58.704 1.437 -4.268 1.00 0.00 N ATOM 169 CA VAL A 12 58.856 0.147 -5.001 1.00 0.00 C ATOM 170 C VAL A 12 58.809 -1.012 -3.981 1.00 0.00 C ATOM 171 O VAL A 12 58.674 -0.788 -2.796 1.00 0.00 O ATOM 172 CB VAL A 12 60.232 0.304 -5.714 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.108 -0.959 -5.650 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.997 0.647 -7.183 1.00 0.00 C ATOM 0 H VAL A 12 59.563 1.800 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 12 58.073 -0.078 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 12 60.764 1.097 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.050 -0.775 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.309 -1.210 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.587 -1.788 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.956 0.758 -7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.428 -0.153 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.439 1.581 -7.254 1.00 0.00 H new ATOM 184 N ALA A 13 58.934 -2.234 -4.434 1.00 0.00 N ATOM 185 CA ALA A 13 58.915 -3.395 -3.495 1.00 0.00 C ATOM 186 C ALA A 13 60.226 -4.180 -3.604 1.00 0.00 C ATOM 187 O ALA A 13 60.770 -4.343 -4.680 1.00 0.00 O ATOM 188 CB ALA A 13 57.745 -4.263 -3.949 1.00 0.00 C ATOM 0 H ALA A 13 59.049 -2.478 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 13 58.809 -3.079 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.669 -5.138 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.821 -3.688 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.908 -4.584 -4.978 1.00 0.00 H new ATOM 194 N LEU A 14 60.734 -4.665 -2.500 1.00 0.00 N ATOM 195 CA LEU A 14 62.011 -5.440 -2.537 1.00 0.00 C ATOM 196 C LEU A 14 61.732 -6.940 -2.395 1.00 0.00 C ATOM 197 O LEU A 14 62.485 -7.766 -2.877 1.00 0.00 O ATOM 198 CB LEU A 14 62.825 -4.931 -1.346 1.00 0.00 C ATOM 199 CG LEU A 14 63.141 -3.445 -1.537 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.847 -2.908 -0.289 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.054 -3.268 -2.755 1.00 0.00 C ATOM 0 H LEU A 14 60.320 -4.558 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 14 62.542 -5.306 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.267 -5.078 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.750 -5.501 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 14 62.213 -2.895 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.072 -1.850 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.198 -3.032 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.774 -3.459 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.279 -2.210 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.981 -3.819 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.552 -3.649 -3.644 1.00 0.00 H new ATOM 213 N TYR A 15 60.658 -7.296 -1.736 1.00 0.00 N ATOM 214 CA TYR A 15 60.328 -8.745 -1.562 1.00 0.00 C ATOM 215 C TYR A 15 58.811 -8.949 -1.539 1.00 0.00 C ATOM 216 O TYR A 15 58.048 -8.003 -1.514 1.00 0.00 O ATOM 217 CB TYR A 15 60.937 -9.141 -0.216 1.00 0.00 C ATOM 218 CG TYR A 15 62.433 -8.936 -0.253 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.234 -9.762 -1.051 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.020 -7.919 0.510 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.620 -9.573 -1.086 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.408 -7.729 0.475 1.00 0.00 C ATOM 223 CZ TYR A 15 65.207 -8.556 -0.323 1.00 0.00 C ATOM 224 OH TYR A 15 66.574 -8.369 -0.357 1.00 0.00 O ATOM 0 H TYR A 15 59.996 -6.647 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 15 60.719 -9.350 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.498 -8.543 0.583 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.709 -10.184 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.782 -10.546 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.403 -7.281 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.237 -10.211 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.861 -6.945 1.063 1.00 0.00 H new ATOM 0 HH TYR A 15 66.817 -7.622 0.229 1.00 0.00 H new ATOM 234 N ASP A 16 58.375 -10.183 -1.548 1.00 0.00 N ATOM 235 CA ASP A 16 56.907 -10.469 -1.531 1.00 0.00 C ATOM 236 C ASP A 16 56.356 -10.366 -0.105 1.00 0.00 C ATOM 237 O ASP A 16 57.082 -10.483 0.863 1.00 0.00 O ATOM 238 CB ASP A 16 56.777 -11.900 -2.053 1.00 0.00 C ATOM 239 CG ASP A 16 56.869 -11.899 -3.579 1.00 0.00 C ATOM 240 OD1 ASP A 16 55.862 -11.633 -4.214 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.946 -12.163 -4.089 1.00 0.00 O ATOM 0 H ASP A 16 58.974 -11.008 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 16 56.344 -9.759 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.565 -12.525 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.826 -12.329 -1.736 1.00 0.00 H new ATOM 246 N TYR A 17 55.070 -10.146 0.024 1.00 0.00 N ATOM 247 CA TYR A 17 54.446 -10.030 1.377 1.00 0.00 C ATOM 248 C TYR A 17 52.916 -10.047 1.232 1.00 0.00 C ATOM 249 O TYR A 17 52.262 -9.025 1.321 1.00 0.00 O ATOM 250 CB TYR A 17 54.965 -8.685 1.929 1.00 0.00 C ATOM 251 CG TYR A 17 54.162 -8.226 3.134 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.811 -9.132 4.144 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.772 -6.884 3.235 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.071 -8.695 5.250 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.033 -6.448 4.339 1.00 0.00 C ATOM 256 CZ TYR A 17 52.682 -7.355 5.347 1.00 0.00 C ATOM 257 OH TYR A 17 51.953 -6.925 6.438 1.00 0.00 O ATOM 0 H TYR A 17 54.422 -10.041 -0.757 1.00 0.00 H new ATOM 0 HA TYR A 17 54.699 -10.850 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.014 -8.786 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.914 -7.927 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.111 -10.167 4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.043 -6.184 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.801 -9.393 6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.733 -5.413 4.414 1.00 0.00 H new ATOM 0 HH TYR A 17 52.551 -6.485 7.078 1.00 0.00 H new ATOM 267 N MET A 18 52.349 -11.207 1.008 1.00 0.00 N ATOM 268 CA MET A 18 50.864 -11.308 0.851 1.00 0.00 C ATOM 269 C MET A 18 50.157 -10.938 2.167 1.00 0.00 C ATOM 270 O MET A 18 50.787 -10.903 3.205 1.00 0.00 O ATOM 271 CB MET A 18 50.595 -12.772 0.494 1.00 0.00 C ATOM 272 CG MET A 18 50.755 -12.968 -1.015 1.00 0.00 C ATOM 273 SD MET A 18 50.339 -14.675 -1.450 1.00 0.00 S ATOM 274 CE MET A 18 48.636 -14.367 -1.978 1.00 0.00 C ATOM 0 H MET A 18 52.852 -12.091 0.927 1.00 0.00 H new ATOM 0 HA MET A 18 50.489 -10.627 0.087 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.287 -13.421 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.588 -13.054 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.107 -12.276 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.779 -12.744 -1.315 1.00 0.00 H new ATOM 0 HE1 MET A 18 48.178 -15.304 -2.295 1.00 0.00 H new ATOM 0 HE2 MET A 18 48.068 -13.948 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 18 48.635 -13.663 -2.810 1.00 0.00 H new ATOM 284 N PRO A 19 48.865 -10.660 2.092 1.00 0.00 N ATOM 285 CA PRO A 19 48.104 -10.284 3.308 1.00 0.00 C ATOM 286 C PRO A 19 47.944 -11.489 4.242 1.00 0.00 C ATOM 287 O PRO A 19 48.243 -12.611 3.879 1.00 0.00 O ATOM 288 CB PRO A 19 46.748 -9.850 2.733 1.00 0.00 C ATOM 289 CG PRO A 19 46.791 -10.006 1.201 1.00 0.00 C ATOM 290 CD PRO A 19 48.097 -10.699 0.818 1.00 0.00 C ATOM 0 HA PRO A 19 48.588 -9.511 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.947 -10.458 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.537 -8.815 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.938 -10.590 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.725 -9.030 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.930 -11.720 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.615 -10.174 0.015 1.00 0.00 H new ATOM 298 N MET A 20 47.465 -11.257 5.436 1.00 0.00 N ATOM 299 CA MET A 20 47.265 -12.376 6.405 1.00 0.00 C ATOM 300 C MET A 20 45.786 -12.465 6.778 1.00 0.00 C ATOM 301 O MET A 20 45.182 -13.520 6.724 1.00 0.00 O ATOM 302 CB MET A 20 48.104 -12.002 7.628 1.00 0.00 C ATOM 303 CG MET A 20 49.577 -11.893 7.230 1.00 0.00 C ATOM 304 SD MET A 20 50.373 -13.510 7.406 1.00 0.00 S ATOM 305 CE MET A 20 50.943 -13.669 5.697 1.00 0.00 C ATOM 0 H MET A 20 47.202 -10.335 5.784 1.00 0.00 H new ATOM 0 HA MET A 20 47.560 -13.343 5.997 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.758 -11.055 8.042 1.00 0.00 H new ATOM 0 HB3 MET A 20 47.983 -12.754 8.408 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.661 -11.545 6.201 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.081 -11.158 7.858 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.686 -14.464 5.634 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.098 -13.911 5.053 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.389 -12.729 5.373 1.00 0.00 H new ATOM 315 N ASN A 21 45.203 -11.355 7.148 1.00 0.00 N ATOM 316 CA ASN A 21 43.759 -11.344 7.521 1.00 0.00 C ATOM 317 C ASN A 21 43.017 -10.305 6.679 1.00 0.00 C ATOM 318 O ASN A 21 42.031 -10.603 6.032 1.00 0.00 O ATOM 319 CB ASN A 21 43.732 -10.958 8.999 1.00 0.00 C ATOM 320 CG ASN A 21 44.245 -12.127 9.841 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.430 -12.393 9.877 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.396 -12.842 10.528 1.00 0.00 N ATOM 0 H ASN A 21 45.669 -10.450 7.208 1.00 0.00 H new ATOM 0 HA ASN A 21 43.275 -12.305 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.350 -10.076 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 21 42.717 -10.697 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 21 43.728 -13.623 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.401 -12.620 10.499 1.00 0.00 H new ATOM 329 N ALA A 22 43.493 -9.087 6.684 1.00 0.00 N ATOM 330 CA ALA A 22 42.835 -8.008 5.884 1.00 0.00 C ATOM 331 C ALA A 22 43.694 -6.741 5.898 1.00 0.00 C ATOM 332 O ALA A 22 43.830 -6.061 4.898 1.00 0.00 O ATOM 333 CB ALA A 22 41.494 -7.749 6.575 1.00 0.00 C ATOM 0 H ALA A 22 44.314 -8.790 7.211 1.00 0.00 H new ATOM 0 HA ALA A 22 42.704 -8.297 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.955 -6.966 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.901 -8.664 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.670 -7.432 7.603 1.00 0.00 H new ATOM 339 N ASN A 23 44.274 -6.424 7.025 1.00 0.00 N ATOM 340 CA ASN A 23 45.130 -5.202 7.120 1.00 0.00 C ATOM 341 C ASN A 23 46.297 -5.270 6.151 1.00 0.00 C ATOM 342 O ASN A 23 46.476 -4.411 5.311 1.00 0.00 O ATOM 343 CB ASN A 23 45.685 -5.194 8.537 1.00 0.00 C ATOM 344 CG ASN A 23 44.768 -4.383 9.451 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.279 -3.337 9.070 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.511 -4.822 10.654 1.00 0.00 N ATOM 0 H ASN A 23 44.192 -6.961 7.889 1.00 0.00 H new ATOM 0 HA ASN A 23 44.548 -4.312 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.772 -6.215 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.688 -4.767 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.901 -4.288 11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.920 -5.699 10.975 1.00 0.00 H new ATOM 353 N ASP A 24 47.119 -6.271 6.310 1.00 0.00 N ATOM 354 CA ASP A 24 48.332 -6.413 5.453 1.00 0.00 C ATOM 355 C ASP A 24 48.015 -6.200 3.964 1.00 0.00 C ATOM 356 O ASP A 24 47.003 -6.654 3.464 1.00 0.00 O ATOM 357 CB ASP A 24 48.831 -7.838 5.696 1.00 0.00 C ATOM 358 CG ASP A 24 49.282 -7.980 7.152 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.801 -7.015 7.689 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.102 -9.053 7.705 1.00 0.00 O ATOM 0 H ASP A 24 47.000 -7.007 7.007 1.00 0.00 H new ATOM 0 HA ASP A 24 49.079 -5.661 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.039 -8.554 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.659 -8.064 5.024 1.00 0.00 H new ATOM 365 N LEU A 25 48.876 -5.507 3.264 1.00 0.00 N ATOM 366 CA LEU A 25 48.642 -5.251 1.814 1.00 0.00 C ATOM 367 C LEU A 25 49.345 -6.324 0.977 1.00 0.00 C ATOM 368 O LEU A 25 50.409 -6.796 1.330 1.00 0.00 O ATOM 369 CB LEU A 25 49.248 -3.866 1.556 1.00 0.00 C ATOM 370 CG LEU A 25 48.963 -3.444 0.110 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.509 -2.980 -0.014 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.892 -2.292 -0.283 1.00 0.00 C ATOM 0 H LEU A 25 49.736 -5.106 3.638 1.00 0.00 H new ATOM 0 HA LEU A 25 47.586 -5.283 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.826 -3.138 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.323 -3.889 1.734 1.00 0.00 H new ATOM 0 HG LEU A 25 49.134 -4.294 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.309 -2.681 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.842 -3.796 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.340 -2.132 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.687 -1.994 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.722 -1.445 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.929 -2.616 -0.199 1.00 0.00 H new ATOM 384 N GLN A 26 48.751 -6.719 -0.120 1.00 0.00 N ATOM 385 CA GLN A 26 49.376 -7.774 -0.979 1.00 0.00 C ATOM 386 C GLN A 26 50.538 -7.191 -1.789 1.00 0.00 C ATOM 387 O GLN A 26 50.381 -6.795 -2.928 1.00 0.00 O ATOM 388 CB GLN A 26 48.256 -8.269 -1.904 1.00 0.00 C ATOM 389 CG GLN A 26 47.679 -7.100 -2.720 1.00 0.00 C ATOM 390 CD GLN A 26 47.735 -7.430 -4.214 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.965 -8.235 -4.700 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.619 -6.837 -4.969 1.00 0.00 N ATOM 0 H GLN A 26 47.860 -6.357 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 26 49.791 -8.588 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.643 -9.034 -2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.466 -8.733 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 26 46.649 -6.909 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.244 -6.190 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.266 -6.161 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 26 48.663 -7.049 -5.966 1.00 0.00 H new ATOM 401 N LEU A 27 51.706 -7.145 -1.203 1.00 0.00 N ATOM 402 CA LEU A 27 52.891 -6.598 -1.923 1.00 0.00 C ATOM 403 C LEU A 27 53.533 -7.687 -2.789 1.00 0.00 C ATOM 404 O LEU A 27 53.020 -8.783 -2.905 1.00 0.00 O ATOM 405 CB LEU A 27 53.840 -6.151 -0.812 1.00 0.00 C ATOM 406 CG LEU A 27 53.410 -4.780 -0.304 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.370 -4.960 0.803 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.627 -4.032 0.247 1.00 0.00 C ATOM 0 H LEU A 27 51.889 -7.465 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 27 52.635 -5.779 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.829 -6.874 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.863 -6.108 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 27 52.977 -4.204 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.058 -3.983 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.505 -5.492 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.805 -5.534 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.318 -3.052 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.063 -4.602 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.367 -3.909 -0.544 1.00 0.00 H new ATOM 420 N ARG A 28 54.649 -7.384 -3.399 1.00 0.00 N ATOM 421 CA ARG A 28 55.338 -8.386 -4.267 1.00 0.00 C ATOM 422 C ARG A 28 56.802 -7.982 -4.462 1.00 0.00 C ATOM 423 O ARG A 28 57.322 -7.161 -3.734 1.00 0.00 O ATOM 424 CB ARG A 28 54.583 -8.342 -5.599 1.00 0.00 C ATOM 425 CG ARG A 28 53.638 -9.542 -5.697 1.00 0.00 C ATOM 426 CD ARG A 28 53.462 -9.936 -7.165 1.00 0.00 C ATOM 427 NE ARG A 28 52.070 -10.456 -7.259 1.00 0.00 N ATOM 428 CZ ARG A 28 51.439 -10.430 -8.401 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.163 -9.288 -8.968 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.084 -11.546 -8.976 1.00 0.00 N ATOM 0 H ARG A 28 55.116 -6.480 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 28 55.336 -9.387 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.017 -7.414 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.289 -8.355 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.040 -10.382 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.672 -9.294 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.609 -9.080 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.188 -10.694 -7.460 1.00 0.00 H new ATOM 0 HE ARG A 28 51.609 -10.833 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.440 -8.415 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.670 -9.268 -9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.300 -12.439 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.591 -11.525 -9.869 1.00 0.00 H new ATOM 444 N LYS A 29 57.471 -8.552 -5.434 1.00 0.00 N ATOM 445 CA LYS A 29 58.898 -8.198 -5.668 1.00 0.00 C ATOM 446 C LYS A 29 59.048 -7.416 -6.974 1.00 0.00 C ATOM 447 O LYS A 29 58.724 -7.900 -8.042 1.00 0.00 O ATOM 448 CB LYS A 29 59.638 -9.534 -5.736 1.00 0.00 C ATOM 449 CG LYS A 29 61.138 -9.283 -5.914 1.00 0.00 C ATOM 450 CD LYS A 29 61.805 -10.543 -6.467 1.00 0.00 C ATOM 451 CE LYS A 29 61.749 -11.654 -5.417 1.00 0.00 C ATOM 452 NZ LYS A 29 63.063 -11.588 -4.717 1.00 0.00 N ATOM 0 H LYS A 29 57.087 -9.247 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 29 59.298 -7.560 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.460 -10.106 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.258 -10.130 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.299 -8.446 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.587 -9.010 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.301 -10.864 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.841 -10.332 -6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.923 -11.500 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.597 -12.629 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.101 -12.321 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.830 -11.745 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.177 -10.651 -4.279 1.00 0.00 H new ATOM 466 N GLY A 30 59.533 -6.202 -6.886 1.00 0.00 N ATOM 467 CA GLY A 30 59.703 -5.364 -8.108 1.00 0.00 C ATOM 468 C GLY A 30 58.466 -4.482 -8.307 1.00 0.00 C ATOM 469 O GLY A 30 58.525 -3.470 -8.978 1.00 0.00 O ATOM 0 H GLY A 30 59.819 -5.755 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.593 -4.742 -8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.851 -6.001 -8.980 1.00 0.00 H new ATOM 473 N ASP A 31 57.348 -4.854 -7.725 1.00 0.00 N ATOM 474 CA ASP A 31 56.117 -4.028 -7.879 1.00 0.00 C ATOM 475 C ASP A 31 56.234 -2.771 -7.019 1.00 0.00 C ATOM 476 O ASP A 31 57.014 -2.726 -6.090 1.00 0.00 O ATOM 477 CB ASP A 31 54.970 -4.914 -7.387 1.00 0.00 C ATOM 478 CG ASP A 31 53.707 -4.609 -8.196 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.522 -5.237 -9.226 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.947 -3.756 -7.771 1.00 0.00 O ATOM 0 H ASP A 31 57.240 -5.692 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 31 55.958 -3.705 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.237 -5.965 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.788 -4.736 -6.327 1.00 0.00 H new ATOM 485 N GLU A 32 55.471 -1.754 -7.317 1.00 0.00 N ATOM 486 CA GLU A 32 55.547 -0.498 -6.504 1.00 0.00 C ATOM 487 C GLU A 32 54.155 -0.169 -5.962 1.00 0.00 C ATOM 488 O GLU A 32 53.161 -0.679 -6.446 1.00 0.00 O ATOM 489 CB GLU A 32 56.051 0.608 -7.448 1.00 0.00 C ATOM 490 CG GLU A 32 57.205 0.103 -8.327 1.00 0.00 C ATOM 491 CD GLU A 32 56.638 -0.526 -9.602 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.998 0.187 -10.357 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.855 -1.710 -9.801 1.00 0.00 O ATOM 0 H GLU A 32 54.800 -1.735 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 32 56.220 -0.599 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.232 0.952 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.384 1.466 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.871 0.928 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.799 -0.630 -7.780 1.00 0.00 H new ATOM 500 N TYR A 33 54.076 0.641 -4.938 1.00 0.00 N ATOM 501 CA TYR A 33 52.750 0.960 -4.335 1.00 0.00 C ATOM 502 C TYR A 33 52.548 2.471 -4.203 1.00 0.00 C ATOM 503 O TYR A 33 53.309 3.268 -4.718 1.00 0.00 O ATOM 504 CB TYR A 33 52.788 0.341 -2.931 1.00 0.00 C ATOM 505 CG TYR A 33 53.394 -1.046 -2.957 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.653 -2.131 -3.437 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.704 -1.235 -2.507 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.224 -3.408 -3.466 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.274 -2.508 -2.534 1.00 0.00 C ATOM 510 CZ TYR A 33 54.535 -3.598 -3.014 1.00 0.00 C ATOM 511 OH TYR A 33 55.099 -4.858 -3.045 1.00 0.00 O ATOM 0 H TYR A 33 54.874 1.095 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 33 51.939 0.576 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.367 0.981 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.777 0.291 -2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.641 -1.983 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.275 -0.395 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.654 -4.247 -3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.286 -2.654 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 33 55.763 -4.937 -2.328 1.00 0.00 H new ATOM 521 N PHE A 34 51.525 2.853 -3.486 1.00 0.00 N ATOM 522 CA PHE A 34 51.237 4.300 -3.262 1.00 0.00 C ATOM 523 C PHE A 34 51.234 4.583 -1.759 1.00 0.00 C ATOM 524 O PHE A 34 50.568 3.907 -1.001 1.00 0.00 O ATOM 525 CB PHE A 34 49.849 4.527 -3.853 1.00 0.00 C ATOM 526 CG PHE A 34 49.984 4.938 -5.297 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.139 3.964 -6.291 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.959 6.294 -5.645 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.269 4.345 -7.631 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.089 6.675 -6.985 1.00 0.00 C ATOM 531 CZ PHE A 34 50.244 5.701 -7.979 1.00 0.00 C ATOM 0 H PHE A 34 50.867 2.214 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 34 51.978 4.955 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.255 3.616 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.323 5.299 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.158 2.918 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.839 7.046 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.389 3.593 -8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.070 7.721 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.344 5.995 -9.013 1.00 0.00 H new ATOM 541 N ILE A 35 51.987 5.558 -1.322 1.00 0.00 N ATOM 542 CA ILE A 35 52.047 5.857 0.142 1.00 0.00 C ATOM 543 C ILE A 35 51.091 6.986 0.533 1.00 0.00 C ATOM 544 O ILE A 35 51.149 8.081 0.010 1.00 0.00 O ATOM 545 CB ILE A 35 53.499 6.274 0.415 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.471 5.170 -0.037 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.692 6.538 1.912 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.166 3.855 0.689 1.00 0.00 C ATOM 0 H ILE A 35 52.562 6.159 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 35 51.746 4.988 0.727 1.00 0.00 H new ATOM 0 HB ILE A 35 53.709 7.184 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.390 5.025 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.497 5.475 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.724 6.833 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.022 7.337 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.467 5.631 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.863 3.086 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.271 4.000 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.146 3.543 0.463 1.00 0.00 H new ATOM 560 N LEU A 36 50.238 6.717 1.484 1.00 0.00 N ATOM 561 CA LEU A 36 49.286 7.753 1.974 1.00 0.00 C ATOM 562 C LEU A 36 49.742 8.229 3.359 1.00 0.00 C ATOM 563 O LEU A 36 49.524 9.359 3.748 1.00 0.00 O ATOM 564 CB LEU A 36 47.934 7.043 2.064 1.00 0.00 C ATOM 565 CG LEU A 36 47.451 6.679 0.660 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.918 5.264 0.310 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.922 6.733 0.619 1.00 0.00 C ATOM 0 H LEU A 36 50.160 5.812 1.948 1.00 0.00 H new ATOM 0 HA LEU A 36 49.232 8.626 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.024 6.144 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.205 7.688 2.554 1.00 0.00 H new ATOM 0 HG LEU A 36 47.862 7.386 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.574 5.004 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.007 5.222 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.507 4.557 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.575 6.474 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.513 6.024 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.587 7.739 0.870 1.00 0.00 H new ATOM 579 N GLU A 37 50.386 7.358 4.098 1.00 0.00 N ATOM 580 CA GLU A 37 50.885 7.717 5.458 1.00 0.00 C ATOM 581 C GLU A 37 51.778 6.581 5.969 1.00 0.00 C ATOM 582 O GLU A 37 51.499 5.419 5.733 1.00 0.00 O ATOM 583 CB GLU A 37 49.630 7.854 6.328 1.00 0.00 C ATOM 584 CG GLU A 37 49.386 9.331 6.654 1.00 0.00 C ATOM 585 CD GLU A 37 47.881 9.603 6.706 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.196 8.889 7.419 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.441 10.519 6.032 1.00 0.00 O ATOM 0 H GLU A 37 50.589 6.401 3.810 1.00 0.00 H new ATOM 0 HA GLU A 37 51.472 8.635 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.767 7.439 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.750 7.283 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.845 9.583 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.854 9.963 5.899 1.00 0.00 H new ATOM 594 N GLU A 38 52.851 6.898 6.654 1.00 0.00 N ATOM 595 CA GLU A 38 53.756 5.816 7.160 1.00 0.00 C ATOM 596 C GLU A 38 53.407 5.418 8.594 1.00 0.00 C ATOM 597 O GLU A 38 54.215 4.855 9.305 1.00 0.00 O ATOM 598 CB GLU A 38 55.172 6.401 7.080 1.00 0.00 C ATOM 599 CG GLU A 38 55.275 7.659 7.958 1.00 0.00 C ATOM 600 CD GLU A 38 55.753 8.846 7.116 1.00 0.00 C ATOM 601 OE1 GLU A 38 56.660 8.657 6.322 1.00 0.00 O ATOM 602 OE2 GLU A 38 55.202 9.923 7.279 1.00 0.00 O ATOM 0 H GLU A 38 53.138 7.850 6.883 1.00 0.00 H new ATOM 0 HA GLU A 38 53.658 4.906 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.900 5.659 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.414 6.649 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.305 7.884 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 38 55.968 7.483 8.781 1.00 0.00 H new ATOM 609 N SER A 39 52.198 5.689 9.008 1.00 0.00 N ATOM 610 CA SER A 39 51.735 5.325 10.391 1.00 0.00 C ATOM 611 C SER A 39 52.798 5.627 11.468 1.00 0.00 C ATOM 612 O SER A 39 52.831 5.000 12.510 1.00 0.00 O ATOM 613 CB SER A 39 51.457 3.826 10.316 1.00 0.00 C ATOM 614 OG SER A 39 50.283 3.605 9.545 1.00 0.00 O ATOM 0 H SER A 39 51.493 6.157 8.438 1.00 0.00 H new ATOM 0 HA SER A 39 50.861 5.908 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.305 3.309 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.330 3.417 11.318 1.00 0.00 H new ATOM 0 HG SER A 39 50.102 2.643 9.493 1.00 0.00 H new ATOM 620 N ASN A 40 53.653 6.592 11.228 1.00 0.00 N ATOM 621 CA ASN A 40 54.711 6.954 12.229 1.00 0.00 C ATOM 622 C ASN A 40 55.547 5.732 12.645 1.00 0.00 C ATOM 623 O ASN A 40 55.952 5.616 13.787 1.00 0.00 O ATOM 624 CB ASN A 40 53.952 7.516 13.436 1.00 0.00 C ATOM 625 CG ASN A 40 54.762 8.651 14.065 1.00 0.00 C ATOM 626 OD1 ASN A 40 55.479 8.442 15.024 1.00 0.00 O ATOM 627 ND2 ASN A 40 54.677 9.853 13.564 1.00 0.00 N ATOM 0 H ASN A 40 53.665 7.150 10.374 1.00 0.00 H new ATOM 0 HA ASN A 40 55.416 7.672 11.809 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.973 7.882 13.125 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.779 6.728 14.169 1.00 0.00 H new ATOM 0 HD21 ASN A 40 55.212 10.617 13.977 1.00 0.00 H new ATOM 0 HD22 ASN A 40 54.075 10.029 12.759 1.00 0.00 H new ATOM 634 N LEU A 41 55.827 4.831 11.731 1.00 0.00 N ATOM 635 CA LEU A 41 56.659 3.633 12.082 1.00 0.00 C ATOM 636 C LEU A 41 57.128 2.916 10.785 1.00 0.00 C ATOM 637 O LEU A 41 56.877 3.417 9.706 1.00 0.00 O ATOM 638 CB LEU A 41 55.754 2.770 13.006 1.00 0.00 C ATOM 639 CG LEU A 41 54.865 1.772 12.236 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.635 0.531 13.100 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.521 2.423 11.931 1.00 0.00 C ATOM 0 H LEU A 41 55.517 4.873 10.760 1.00 0.00 H new ATOM 0 HA LEU A 41 57.583 3.874 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.383 2.220 13.706 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.119 3.429 13.598 1.00 0.00 H new ATOM 0 HG LEU A 41 55.356 1.489 11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.007 -0.177 12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.593 0.065 13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.141 0.820 14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.891 1.719 11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.032 2.702 12.864 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.678 3.314 11.324 1.00 0.00 H new ATOM 653 N PRO A 42 57.803 1.777 10.907 1.00 0.00 N ATOM 654 CA PRO A 42 58.285 1.064 9.694 1.00 0.00 C ATOM 655 C PRO A 42 57.108 0.598 8.830 1.00 0.00 C ATOM 656 O PRO A 42 57.115 0.764 7.625 1.00 0.00 O ATOM 657 CB PRO A 42 59.058 -0.123 10.278 1.00 0.00 C ATOM 658 CG PRO A 42 59.001 -0.045 11.814 1.00 0.00 C ATOM 659 CD PRO A 42 58.121 1.144 12.217 1.00 0.00 C ATOM 0 HA PRO A 42 58.894 1.685 9.038 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.626 -1.062 9.932 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.093 -0.104 9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.596 -0.970 12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.004 0.072 12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.220 0.822 12.740 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.647 1.830 12.881 1.00 0.00 H new ATOM 667 N TRP A 43 56.097 0.027 9.434 1.00 0.00 N ATOM 668 CA TRP A 43 54.917 -0.441 8.646 1.00 0.00 C ATOM 669 C TRP A 43 54.032 0.761 8.305 1.00 0.00 C ATOM 670 O TRP A 43 53.652 1.524 9.173 1.00 0.00 O ATOM 671 CB TRP A 43 54.175 -1.410 9.567 1.00 0.00 C ATOM 672 CG TRP A 43 55.054 -2.565 9.905 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.896 -2.586 10.947 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.188 -3.855 9.238 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.550 -3.803 10.976 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.147 -4.623 9.941 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.581 -4.429 8.105 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.492 -5.912 9.537 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.925 -5.728 7.697 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.878 -6.468 8.411 1.00 0.00 C ATOM 0 H TRP A 43 56.038 -0.135 10.439 1.00 0.00 H new ATOM 0 HA TRP A 43 55.200 -0.921 7.709 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.869 -0.896 10.478 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.266 -1.764 9.080 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.041 -1.780 11.652 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.245 -4.063 11.676 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.847 -3.867 7.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.228 -6.477 10.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.452 -6.160 6.827 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.137 -7.466 8.091 1.00 0.00 H new ATOM 691 N TRP A 44 53.726 0.948 7.048 1.00 0.00 N ATOM 692 CA TRP A 44 52.893 2.114 6.639 1.00 0.00 C ATOM 693 C TRP A 44 51.470 1.685 6.286 1.00 0.00 C ATOM 694 O TRP A 44 51.061 0.567 6.519 1.00 0.00 O ATOM 695 CB TRP A 44 53.562 2.647 5.368 1.00 0.00 C ATOM 696 CG TRP A 44 55.005 2.986 5.585 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.602 3.272 6.768 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.033 3.086 4.572 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.942 3.537 6.532 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.254 3.435 5.188 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.014 2.906 3.182 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.424 3.598 4.444 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.179 3.067 2.428 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.386 3.413 3.055 1.00 0.00 C ATOM 0 H TRP A 44 54.020 0.339 6.284 1.00 0.00 H new ATOM 0 HA TRP A 44 52.827 2.846 7.444 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.481 1.901 4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.030 3.534 5.025 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.116 3.290 7.732 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.615 3.778 7.260 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.090 2.640 2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.349 3.864 4.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.151 2.925 1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.284 3.537 2.468 1.00 0.00 H new ATOM 715 N ARG A 45 50.739 2.580 5.678 1.00 0.00 N ATOM 716 CA ARG A 45 49.355 2.276 5.231 1.00 0.00 C ATOM 717 C ARG A 45 49.247 2.729 3.773 1.00 0.00 C ATOM 718 O ARG A 45 48.661 3.749 3.465 1.00 0.00 O ATOM 719 CB ARG A 45 48.442 3.107 6.134 1.00 0.00 C ATOM 720 CG ARG A 45 47.926 2.233 7.280 1.00 0.00 C ATOM 721 CD ARG A 45 47.269 3.119 8.341 1.00 0.00 C ATOM 722 NE ARG A 45 46.073 2.355 8.792 1.00 0.00 N ATOM 723 CZ ARG A 45 45.055 2.985 9.312 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.247 3.866 10.256 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.846 2.733 8.890 1.00 0.00 N ATOM 0 H ARG A 45 51.053 3.528 5.470 1.00 0.00 H new ATOM 0 HA ARG A 45 49.088 1.221 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.987 3.963 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.605 3.502 5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.207 1.506 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.748 1.669 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.949 3.313 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.986 4.087 7.927 1.00 0.00 H new ATOM 0 HE ARG A 45 46.049 1.340 8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.192 4.062 10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.452 4.359 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.696 2.043 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.051 3.226 9.297 1.00 0.00 H new ATOM 739 N ALA A 46 49.859 1.991 2.883 1.00 0.00 N ATOM 740 CA ALA A 46 49.861 2.375 1.440 1.00 0.00 C ATOM 741 C ALA A 46 48.979 1.429 0.624 1.00 0.00 C ATOM 742 O ALA A 46 48.551 0.396 1.105 1.00 0.00 O ATOM 743 CB ALA A 46 51.333 2.238 1.021 1.00 0.00 C ATOM 0 H ALA A 46 50.362 1.130 3.097 1.00 0.00 H new ATOM 0 HA ALA A 46 49.466 3.377 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.438 2.501 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.947 2.907 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.660 1.209 1.172 1.00 0.00 H new ATOM 749 N ARG A 47 48.711 1.773 -0.613 1.00 0.00 N ATOM 750 CA ARG A 47 47.863 0.892 -1.468 1.00 0.00 C ATOM 751 C ARG A 47 48.675 0.368 -2.647 1.00 0.00 C ATOM 752 O ARG A 47 49.707 0.910 -2.989 1.00 0.00 O ATOM 753 CB ARG A 47 46.727 1.776 -1.972 1.00 0.00 C ATOM 754 CG ARG A 47 45.815 2.154 -0.809 1.00 0.00 C ATOM 755 CD ARG A 47 45.283 3.575 -1.012 1.00 0.00 C ATOM 756 NE ARG A 47 43.934 3.398 -1.615 1.00 0.00 N ATOM 757 CZ ARG A 47 43.583 4.107 -2.652 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.060 3.818 -3.832 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.756 5.107 -2.510 1.00 0.00 N ATOM 0 H ARG A 47 49.044 2.625 -1.064 1.00 0.00 H new ATOM 0 HA ARG A 47 47.491 0.030 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.132 2.675 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.157 1.251 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.985 1.451 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.363 2.091 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.225 4.114 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.936 4.151 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 47 43.283 2.721 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.707 3.038 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.785 4.373 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.384 5.334 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.482 5.661 -3.321 1.00 0.00 H new ATOM 773 N ASP A 48 48.211 -0.680 -3.272 1.00 0.00 N ATOM 774 CA ASP A 48 48.951 -1.248 -4.434 1.00 0.00 C ATOM 775 C ASP A 48 48.381 -0.705 -5.751 1.00 0.00 C ATOM 776 O ASP A 48 47.760 0.341 -5.783 1.00 0.00 O ATOM 777 CB ASP A 48 48.749 -2.764 -4.321 1.00 0.00 C ATOM 778 CG ASP A 48 47.262 -3.128 -4.458 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.430 -2.260 -4.247 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.984 -4.274 -4.772 1.00 0.00 O ATOM 0 H ASP A 48 47.349 -1.168 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 48 50.008 -0.980 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.325 -3.271 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.127 -3.115 -3.361 1.00 0.00 H new ATOM 785 N LYS A 49 48.592 -1.410 -6.834 1.00 0.00 N ATOM 786 CA LYS A 49 48.068 -0.943 -8.154 1.00 0.00 C ATOM 787 C LYS A 49 46.701 -1.572 -8.446 1.00 0.00 C ATOM 788 O LYS A 49 46.291 -1.674 -9.588 1.00 0.00 O ATOM 789 CB LYS A 49 49.102 -1.415 -9.177 1.00 0.00 C ATOM 790 CG LYS A 49 50.085 -0.281 -9.473 1.00 0.00 C ATOM 791 CD LYS A 49 49.371 0.822 -10.257 1.00 0.00 C ATOM 792 CE LYS A 49 50.404 1.803 -10.816 1.00 0.00 C ATOM 793 NZ LYS A 49 49.855 2.229 -12.133 1.00 0.00 N ATOM 0 H LYS A 49 49.106 -2.291 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 49 47.927 0.138 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.638 -2.283 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.604 -1.727 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.485 0.120 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.931 -0.660 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.790 0.387 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.669 1.347 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 49 50.540 2.655 -10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.379 1.328 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.508 2.904 -12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.743 1.398 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.930 2.683 -11.993 1.00 0.00 H new ATOM 807 N ASN A 50 45.994 -1.993 -7.426 1.00 0.00 N ATOM 808 CA ASN A 50 44.658 -2.612 -7.639 1.00 0.00 C ATOM 809 C ASN A 50 43.557 -1.703 -7.083 1.00 0.00 C ATOM 810 O ASN A 50 42.428 -1.737 -7.536 1.00 0.00 O ATOM 811 CB ASN A 50 44.705 -3.932 -6.868 1.00 0.00 C ATOM 812 CG ASN A 50 45.626 -4.915 -7.594 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.798 -5.005 -7.290 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.140 -5.660 -8.550 1.00 0.00 N ATOM 0 H ASN A 50 46.290 -1.932 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 50 44.438 -2.765 -8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.066 -3.760 -5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.703 -4.352 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.745 -6.318 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.155 -5.584 -8.805 1.00 0.00 H new ATOM 821 N GLY A 51 43.880 -0.894 -6.105 1.00 0.00 N ATOM 822 CA GLY A 51 42.859 0.020 -5.513 1.00 0.00 C ATOM 823 C GLY A 51 42.545 -0.421 -4.081 1.00 0.00 C ATOM 824 O GLY A 51 41.454 -0.212 -3.585 1.00 0.00 O ATOM 0 H GLY A 51 44.810 -0.828 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.229 1.045 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.951 0.007 -6.116 1.00 0.00 H new ATOM 828 N GLN A 52 43.494 -1.031 -3.416 1.00 0.00 N ATOM 829 CA GLN A 52 43.261 -1.490 -2.017 1.00 0.00 C ATOM 830 C GLN A 52 44.372 -0.977 -1.097 1.00 0.00 C ATOM 831 O GLN A 52 45.509 -0.827 -1.508 1.00 0.00 O ATOM 832 CB GLN A 52 43.293 -3.015 -2.097 1.00 0.00 C ATOM 833 CG GLN A 52 41.882 -3.545 -2.360 1.00 0.00 C ATOM 834 CD GLN A 52 41.905 -5.075 -2.369 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.150 -5.709 -1.659 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.744 -5.697 -3.150 1.00 0.00 N ATOM 0 H GLN A 52 44.423 -1.231 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 52 42.320 -1.120 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.966 -3.333 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.681 -3.430 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.198 -3.186 -1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.514 -3.171 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 52 43.377 -5.164 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.767 -6.717 -3.165 1.00 0.00 H new ATOM 845 N GLU A 53 44.048 -0.709 0.143 1.00 0.00 N ATOM 846 CA GLU A 53 45.078 -0.207 1.102 1.00 0.00 C ATOM 847 C GLU A 53 45.421 -1.292 2.127 1.00 0.00 C ATOM 848 O GLU A 53 44.615 -2.155 2.418 1.00 0.00 O ATOM 849 CB GLU A 53 44.436 1.005 1.791 1.00 0.00 C ATOM 850 CG GLU A 53 43.131 0.592 2.485 1.00 0.00 C ATOM 851 CD GLU A 53 43.009 1.317 3.827 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.888 1.145 4.654 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.038 2.035 4.004 1.00 0.00 O ATOM 0 H GLU A 53 43.112 -0.817 0.533 1.00 0.00 H new ATOM 0 HA GLU A 53 46.008 0.061 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.127 1.425 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.235 1.785 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.278 0.834 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.116 -0.487 2.641 1.00 0.00 H new ATOM 860 N GLY A 54 46.610 -1.249 2.675 1.00 0.00 N ATOM 861 CA GLY A 54 47.007 -2.272 3.684 1.00 0.00 C ATOM 862 C GLY A 54 48.333 -1.852 4.309 1.00 0.00 C ATOM 863 O GLY A 54 48.649 -0.681 4.351 1.00 0.00 O ATOM 0 H GLY A 54 47.321 -0.549 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.239 -2.363 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.104 -3.250 3.213 1.00 0.00 H new ATOM 867 N TYR A 55 49.109 -2.787 4.801 1.00 0.00 N ATOM 868 CA TYR A 55 50.407 -2.405 5.431 1.00 0.00 C ATOM 869 C TYR A 55 51.591 -2.640 4.485 1.00 0.00 C ATOM 870 O TYR A 55 51.624 -3.586 3.724 1.00 0.00 O ATOM 871 CB TYR A 55 50.529 -3.277 6.681 1.00 0.00 C ATOM 872 CG TYR A 55 49.612 -2.749 7.758 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.224 -2.823 7.595 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.152 -2.184 8.920 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.375 -2.334 8.594 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.302 -1.694 9.919 1.00 0.00 C ATOM 877 CZ TYR A 55 47.914 -1.769 9.756 1.00 0.00 C ATOM 878 OH TYR A 55 47.077 -1.286 10.741 1.00 0.00 O ATOM 0 H TYR A 55 48.902 -3.786 4.793 1.00 0.00 H new ATOM 0 HA TYR A 55 50.426 -1.342 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.271 -4.309 6.443 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.560 -3.280 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.808 -3.258 6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.223 -2.126 9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.304 -2.392 8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.718 -1.258 10.815 1.00 0.00 H new ATOM 0 HH TYR A 55 47.613 -0.929 11.480 1.00 0.00 H new ATOM 888 N ILE A 56 52.561 -1.765 4.544 1.00 0.00 N ATOM 889 CA ILE A 56 53.770 -1.882 3.673 1.00 0.00 C ATOM 890 C ILE A 56 55.034 -1.634 4.538 1.00 0.00 C ATOM 891 O ILE A 56 55.298 -0.499 4.885 1.00 0.00 O ATOM 892 CB ILE A 56 53.589 -0.762 2.623 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.577 -1.209 1.570 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.907 -0.435 1.917 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.161 -0.952 2.076 1.00 0.00 C ATOM 0 H ILE A 56 52.567 -0.960 5.170 1.00 0.00 H new ATOM 0 HA ILE A 56 53.883 -2.860 3.205 1.00 0.00 H new ATOM 0 HB ILE A 56 53.239 0.128 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.744 -0.668 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.709 -2.269 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.742 0.356 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.641 -0.103 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.279 -1.325 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.442 -1.272 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.996 -1.513 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.032 0.113 2.272 1.00 0.00 H new ATOM 907 N PRO A 57 55.789 -2.674 4.866 1.00 0.00 N ATOM 908 CA PRO A 57 57.013 -2.473 5.686 1.00 0.00 C ATOM 909 C PRO A 57 57.972 -1.507 4.976 1.00 0.00 C ATOM 910 O PRO A 57 58.325 -1.698 3.829 1.00 0.00 O ATOM 911 CB PRO A 57 57.599 -3.886 5.775 1.00 0.00 C ATOM 912 CG PRO A 57 56.685 -4.853 5.000 1.00 0.00 C ATOM 913 CD PRO A 57 55.485 -4.071 4.452 1.00 0.00 C ATOM 0 HA PRO A 57 56.824 -2.034 6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.606 -3.904 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.679 -4.196 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.236 -5.319 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.345 -5.656 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.402 -4.163 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.544 -4.423 4.875 1.00 0.00 H new ATOM 921 N SER A 58 58.376 -0.459 5.650 1.00 0.00 N ATOM 922 CA SER A 58 59.296 0.552 5.025 1.00 0.00 C ATOM 923 C SER A 58 60.525 -0.117 4.397 1.00 0.00 C ATOM 924 O SER A 58 60.875 0.155 3.264 1.00 0.00 O ATOM 925 CB SER A 58 59.722 1.464 6.176 1.00 0.00 C ATOM 926 OG SER A 58 60.767 2.320 5.732 1.00 0.00 O ATOM 0 H SER A 58 58.108 -0.256 6.613 1.00 0.00 H new ATOM 0 HA SER A 58 58.800 1.095 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.873 2.055 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.060 0.867 7.023 1.00 0.00 H new ATOM 0 HG SER A 58 61.043 2.908 6.466 1.00 0.00 H new ATOM 932 N ASN A 59 61.185 -0.976 5.128 1.00 0.00 N ATOM 933 CA ASN A 59 62.402 -1.655 4.580 1.00 0.00 C ATOM 934 C ASN A 59 62.049 -2.458 3.324 1.00 0.00 C ATOM 935 O ASN A 59 62.791 -2.490 2.362 1.00 0.00 O ATOM 936 CB ASN A 59 62.887 -2.572 5.716 1.00 0.00 C ATOM 937 CG ASN A 59 61.922 -3.745 5.938 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.721 -3.563 5.958 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.402 -4.947 6.108 1.00 0.00 N ATOM 0 H ASN A 59 60.936 -1.239 6.082 1.00 0.00 H new ATOM 0 HA ASN A 59 63.174 -0.947 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.879 -2.955 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.980 -1.996 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.769 -5.733 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.410 -5.101 6.091 1.00 0.00 H new ATOM 946 N TYR A 60 60.923 -3.110 3.348 1.00 0.00 N ATOM 947 CA TYR A 60 60.497 -3.935 2.175 1.00 0.00 C ATOM 948 C TYR A 60 60.346 -3.071 0.916 1.00 0.00 C ATOM 949 O TYR A 60 60.670 -3.504 -0.174 1.00 0.00 O ATOM 950 CB TYR A 60 59.144 -4.537 2.570 1.00 0.00 C ATOM 951 CG TYR A 60 59.335 -5.966 3.023 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.084 -6.242 4.173 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.761 -7.014 2.293 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.259 -7.566 4.593 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.937 -8.337 2.713 1.00 0.00 C ATOM 956 CZ TYR A 60 59.687 -8.614 3.863 1.00 0.00 C ATOM 957 OH TYR A 60 59.860 -9.919 4.276 1.00 0.00 O ATOM 0 H TYR A 60 60.272 -3.110 4.133 1.00 0.00 H new ATOM 0 HA TYR A 60 61.236 -4.701 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.693 -3.949 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.459 -4.502 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.527 -5.434 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.183 -6.801 1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.836 -7.779 5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.494 -9.145 2.150 1.00 0.00 H new ATOM 0 HH TYR A 60 59.397 -10.522 3.658 1.00 0.00 H new ATOM 967 N VAL A 61 59.848 -1.864 1.050 1.00 0.00 N ATOM 968 CA VAL A 61 59.671 -0.998 -0.159 1.00 0.00 C ATOM 969 C VAL A 61 60.683 0.149 -0.179 1.00 0.00 C ATOM 970 O VAL A 61 61.301 0.472 0.818 1.00 0.00 O ATOM 971 CB VAL A 61 58.248 -0.442 -0.077 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.247 -1.596 -0.144 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.056 0.320 1.237 1.00 0.00 C ATOM 0 H VAL A 61 59.559 -1.445 1.934 1.00 0.00 H new ATOM 0 HA VAL A 61 59.833 -1.573 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 61 58.083 0.239 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.233 -1.202 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.374 -2.134 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.420 -2.277 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.040 0.712 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.225 -0.354 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.766 1.146 1.286 1.00 0.00 H new ATOM 983 N THR A 62 60.841 0.769 -1.319 1.00 0.00 N ATOM 984 CA THR A 62 61.792 1.910 -1.446 1.00 0.00 C ATOM 985 C THR A 62 61.121 3.032 -2.264 1.00 0.00 C ATOM 986 O THR A 62 59.971 3.346 -2.034 1.00 0.00 O ATOM 987 CB THR A 62 63.021 1.319 -2.158 1.00 0.00 C ATOM 988 OG1 THR A 62 64.001 2.335 -2.324 1.00 0.00 O ATOM 989 CG2 THR A 62 62.620 0.770 -3.530 1.00 0.00 C ATOM 0 H THR A 62 60.345 0.529 -2.177 1.00 0.00 H new ATOM 0 HA THR A 62 62.080 2.353 -0.493 1.00 0.00 H new ATOM 0 HB THR A 62 63.428 0.507 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.786 1.961 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.497 0.354 -4.026 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.870 -0.011 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.207 1.575 -4.138 1.00 0.00 H new ATOM 997 N GLU A 63 61.806 3.634 -3.210 1.00 0.00 N ATOM 998 CA GLU A 63 61.171 4.719 -4.019 1.00 0.00 C ATOM 999 C GLU A 63 60.488 4.119 -5.251 1.00 0.00 C ATOM 1000 O GLU A 63 61.010 3.226 -5.887 1.00 0.00 O ATOM 1001 CB GLU A 63 62.320 5.638 -4.431 1.00 0.00 C ATOM 1002 CG GLU A 63 62.478 6.753 -3.393 1.00 0.00 C ATOM 1003 CD GLU A 63 63.711 7.594 -3.732 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.804 7.165 -3.403 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.540 8.652 -4.314 1.00 0.00 O ATOM 0 H GLU A 63 62.773 3.420 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 63 60.406 5.259 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.245 5.068 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.123 6.066 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.588 7.382 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.580 6.325 -2.396 1.00 0.00 H new ATOM 1012 N ALA A 64 59.316 4.604 -5.586 1.00 0.00 N ATOM 1013 CA ALA A 64 58.573 4.063 -6.773 1.00 0.00 C ATOM 1014 C ALA A 64 59.467 4.039 -8.021 1.00 0.00 C ATOM 1015 O ALA A 64 59.258 3.259 -8.930 1.00 0.00 O ATOM 1016 CB ALA A 64 57.399 5.021 -6.980 1.00 0.00 C ATOM 0 H ALA A 64 58.839 5.355 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 64 58.246 3.037 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.806 4.691 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.775 5.030 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.778 6.026 -7.168 1.00 0.00 H new ATOM 1022 N GLU A 65 60.464 4.893 -8.069 1.00 0.00 N ATOM 1023 CA GLU A 65 61.384 4.938 -9.255 1.00 0.00 C ATOM 1024 C GLU A 65 60.586 5.097 -10.555 1.00 0.00 C ATOM 1025 O GLU A 65 59.370 5.155 -10.542 1.00 0.00 O ATOM 1026 CB GLU A 65 62.132 3.600 -9.243 1.00 0.00 C ATOM 1027 CG GLU A 65 63.300 3.677 -8.258 1.00 0.00 C ATOM 1028 CD GLU A 65 64.552 4.166 -8.988 1.00 0.00 C ATOM 1029 OE1 GLU A 65 65.143 3.376 -9.704 1.00 0.00 O ATOM 1030 OE2 GLU A 65 64.899 5.324 -8.816 1.00 0.00 O ATOM 0 H GLU A 65 60.682 5.565 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 65 62.068 5.785 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.455 2.795 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 65 62.500 3.368 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 65 63.055 4.354 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 65 63.483 2.697 -7.817 1.00 0.00 H new ATOM 1037 N ASP A 66 61.263 5.171 -11.672 1.00 0.00 N ATOM 1038 CA ASP A 66 60.552 5.328 -12.978 1.00 0.00 C ATOM 1039 C ASP A 66 61.513 5.064 -14.142 1.00 0.00 C ATOM 1040 O ASP A 66 61.943 5.977 -14.821 1.00 0.00 O ATOM 1041 CB ASP A 66 60.056 6.779 -12.996 1.00 0.00 C ATOM 1042 CG ASP A 66 61.240 7.741 -12.845 1.00 0.00 C ATOM 1043 OD1 ASP A 66 61.897 7.684 -11.819 1.00 0.00 O ATOM 1044 OD2 ASP A 66 61.467 8.518 -13.758 1.00 0.00 O ATOM 0 H ASP A 66 62.280 5.129 -11.737 1.00 0.00 H new ATOM 0 HA ASP A 66 59.729 4.622 -13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 66 59.530 6.980 -13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 66 59.343 6.938 -12.187 1.00 0.00 H new ATOM 1049 N SER A 67 61.848 3.821 -14.375 1.00 0.00 N ATOM 1050 CA SER A 67 62.779 3.486 -15.494 1.00 0.00 C ATOM 1051 C SER A 67 62.005 3.376 -16.811 1.00 0.00 C ATOM 1052 O SER A 67 62.616 3.561 -17.851 1.00 0.00 O ATOM 1053 CB SER A 67 63.384 2.136 -15.115 1.00 0.00 C ATOM 1054 OG SER A 67 62.408 1.117 -15.288 1.00 0.00 O ATOM 1055 OXT SER A 67 60.816 3.110 -16.756 1.00 0.00 O ATOM 0 H SER A 67 61.516 3.021 -13.837 1.00 0.00 H new ATOM 0 HA SER A 67 63.544 4.250 -15.637 1.00 0.00 H new ATOM 0 HB2 SER A 67 64.256 1.929 -15.735 1.00 0.00 H new ATOM 0 HB3 SER A 67 63.726 2.156 -14.080 1.00 0.00 H new ATOM 0 HG SER A 67 62.795 0.249 -15.047 1.00 0.00 H new TER 1061 SER A 67