USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 67 GLN : amide:sc= -0.883! C(o=-0.8!,f=-2.7!) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0876 K(o=-0.8,f=-3.9) USER MOD Set 2.1: A 57 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.042) USER MOD Set 2.2: A 80 TYR OH : rot 80:sc= -0.0419 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0533 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.8!) USER MOD Single : A 6 GLN : amide:sc= 0.221 X(o=0.22,f=-0.073) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 15 GLN : amide:sc= 1.07 K(o=1.1,f=-0.71) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.569 (180deg=0.189) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.251 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 0.774 (180deg=0.573) USER MOD Single : A 47 ASN : amide:sc= 0.293 K(o=0.29,f=-4.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -109:sc= -0.503 (180deg=-4.32!) USER MOD Single : A 61 SER OG : rot 150:sc= -0.0432 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= -0.096 (180deg=-0.11) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 74 CYS SG : rot -110:sc= -0.123 USER MOD Single : A 77 MET CE :methyl 167:sc= -1.57 (180deg=-1.93) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.0118 (180deg=-0.181) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0152) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.084 -1.256 -8.215 1.00 50.21 N ATOM 2 CA GLY A 1 13.398 -0.818 -7.001 1.00 32.51 C ATOM 3 C GLY A 1 14.399 -0.222 -6.035 1.00 1.33 C ATOM 4 O GLY A 1 15.360 0.414 -6.473 1.00 12.44 O ATOM 0 H1 GLY A 1 13.454 -1.134 -9.033 1.00 50.21 H new ATOM 0 H2 GLY A 1 14.944 -0.687 -8.352 1.00 50.21 H new ATOM 0 H3 GLY A 1 14.343 -2.259 -8.124 1.00 50.21 H new ATOM 0 HA2 GLY A 1 12.635 -0.081 -7.249 1.00 32.51 H new ATOM 0 HA3 GLY A 1 12.887 -1.661 -6.536 1.00 32.51 H new ATOM 8 N SER A 2 14.181 -0.411 -4.734 1.00 70.10 N ATOM 9 CA SER A 2 14.934 0.226 -3.671 1.00 50.00 C ATOM 10 C SER A 2 15.472 -0.805 -2.681 1.00 3.33 C ATOM 11 O SER A 2 15.273 -2.022 -2.766 1.00 64.13 O ATOM 12 CB SER A 2 14.008 1.218 -2.944 1.00 70.14 C ATOM 13 OG SER A 2 14.713 2.289 -2.336 1.00 61.40 O ATOM 0 H SER A 2 13.451 -1.033 -4.387 1.00 70.10 H new ATOM 0 HA SER A 2 15.788 0.748 -4.102 1.00 50.00 H new ATOM 0 HB2 SER A 2 13.287 1.622 -3.655 1.00 70.14 H new ATOM 0 HB3 SER A 2 13.440 0.685 -2.182 1.00 70.14 H new ATOM 0 HG SER A 2 14.078 2.888 -1.891 1.00 61.40 H new ATOM 19 N GLU A 3 16.121 -0.268 -1.657 1.00 62.22 N ATOM 20 CA GLU A 3 16.500 -0.975 -0.455 1.00 62.52 C ATOM 21 C GLU A 3 15.294 -1.371 0.407 1.00 13.02 C ATOM 22 O GLU A 3 15.435 -2.249 1.263 1.00 21.22 O ATOM 23 CB GLU A 3 17.459 -0.096 0.349 1.00 14.31 C ATOM 24 CG GLU A 3 16.781 1.210 0.809 1.00 21.52 C ATOM 25 CD GLU A 3 17.689 2.426 0.684 1.00 62.42 C ATOM 26 OE1 GLU A 3 18.244 2.661 -0.417 1.00 51.43 O ATOM 27 OE2 GLU A 3 17.778 3.191 1.670 1.00 45.42 O ATOM 0 H GLU A 3 16.406 0.711 -1.647 1.00 62.22 H new ATOM 0 HA GLU A 3 16.986 -1.905 -0.750 1.00 62.52 H new ATOM 0 HB2 GLU A 3 17.816 -0.647 1.219 1.00 14.31 H new ATOM 0 HB3 GLU A 3 18.332 0.141 -0.259 1.00 14.31 H new ATOM 0 HG2 GLU A 3 15.880 1.373 0.218 1.00 21.52 H new ATOM 0 HG3 GLU A 3 16.466 1.104 1.847 1.00 21.52 H new ATOM 34 N ASN A 4 14.129 -0.732 0.247 1.00 62.52 N ATOM 35 CA ASN A 4 12.955 -1.070 1.047 1.00 22.44 C ATOM 36 C ASN A 4 12.338 -2.391 0.586 1.00 4.45 C ATOM 37 O ASN A 4 11.785 -3.098 1.423 1.00 4.32 O ATOM 38 CB ASN A 4 11.931 0.071 1.095 1.00 3.23 C ATOM 39 CG ASN A 4 11.046 0.124 -0.132 1.00 31.33 C ATOM 40 OD1 ASN A 4 10.132 -0.675 -0.273 1.00 33.43 O ATOM 41 ND2 ASN A 4 11.278 1.082 -1.006 1.00 64.34 N ATOM 0 H ASN A 4 13.978 0.018 -0.427 1.00 62.52 H new ATOM 0 HA ASN A 4 13.291 -1.210 2.075 1.00 22.44 H new ATOM 0 HB2 ASN A 4 11.307 -0.045 1.981 1.00 3.23 H new ATOM 0 HB3 ASN A 4 12.457 1.020 1.198 1.00 3.23 H new ATOM 0 HD21 ASN A 4 10.686 1.174 -1.831 1.00 64.34 H new ATOM 0 HD22 ASN A 4 12.050 1.732 -0.857 1.00 64.34 H new ATOM 48 N PHE A 5 12.494 -2.767 -0.689 1.00 74.10 N ATOM 49 CA PHE A 5 11.969 -3.996 -1.277 1.00 1.41 C ATOM 50 C PHE A 5 12.211 -5.210 -0.375 1.00 52.01 C ATOM 51 O PHE A 5 11.266 -5.921 -0.035 1.00 64.53 O ATOM 52 CB PHE A 5 12.599 -4.182 -2.670 1.00 2.01 C ATOM 53 CG PHE A 5 12.159 -5.383 -3.483 1.00 32.53 C ATOM 54 CD1 PHE A 5 10.815 -5.800 -3.508 1.00 72.42 C ATOM 55 CD2 PHE A 5 13.106 -6.050 -4.280 1.00 54.31 C ATOM 56 CE1 PHE A 5 10.439 -6.911 -4.283 1.00 34.53 C ATOM 57 CE2 PHE A 5 12.723 -7.143 -5.074 1.00 1.01 C ATOM 58 CZ PHE A 5 11.393 -7.587 -5.062 1.00 34.55 C ATOM 0 H PHE A 5 13.010 -2.199 -1.361 1.00 74.10 H new ATOM 0 HA PHE A 5 10.887 -3.912 -1.379 1.00 1.41 H new ATOM 0 HB2 PHE A 5 12.392 -3.286 -3.255 1.00 2.01 H new ATOM 0 HB3 PHE A 5 13.680 -4.238 -2.545 1.00 2.01 H new ATOM 0 HD1 PHE A 5 10.073 -5.267 -2.932 1.00 72.42 H new ATOM 0 HD2 PHE A 5 14.134 -5.720 -4.282 1.00 54.31 H new ATOM 0 HE1 PHE A 5 9.412 -7.246 -4.280 1.00 34.53 H new ATOM 0 HE2 PHE A 5 13.453 -7.642 -5.694 1.00 1.01 H new ATOM 0 HZ PHE A 5 11.103 -8.446 -5.649 1.00 34.55 H new ATOM 68 N GLN A 6 13.464 -5.436 0.033 1.00 41.23 N ATOM 69 CA GLN A 6 13.828 -6.553 0.897 1.00 64.21 C ATOM 70 C GLN A 6 13.182 -6.448 2.282 1.00 53.01 C ATOM 71 O GLN A 6 12.810 -7.471 2.856 1.00 2.32 O ATOM 72 CB GLN A 6 15.357 -6.641 1.017 1.00 74.12 C ATOM 73 CG GLN A 6 15.839 -7.848 1.836 1.00 62.53 C ATOM 74 CD GLN A 6 15.375 -9.182 1.256 1.00 72.43 C ATOM 75 OE1 GLN A 6 15.971 -9.691 0.308 1.00 61.41 O ATOM 76 NE2 GLN A 6 14.300 -9.741 1.787 1.00 33.12 N ATOM 0 H GLN A 6 14.253 -4.845 -0.230 1.00 41.23 H new ATOM 0 HA GLN A 6 13.447 -7.466 0.439 1.00 64.21 H new ATOM 0 HB2 GLN A 6 15.789 -6.694 0.018 1.00 74.12 H new ATOM 0 HB3 GLN A 6 15.731 -5.727 1.478 1.00 74.12 H new ATOM 0 HG2 GLN A 6 16.928 -7.837 1.884 1.00 62.53 H new ATOM 0 HG3 GLN A 6 15.474 -7.756 2.859 1.00 62.53 H new ATOM 0 HE21 GLN A 6 13.828 -9.294 2.573 1.00 33.12 H new ATOM 0 HE22 GLN A 6 13.943 -10.619 1.411 1.00 33.12 H new ATOM 85 N THR A 7 13.071 -5.247 2.848 1.00 10.02 N ATOM 86 CA THR A 7 12.440 -5.055 4.145 1.00 34.34 C ATOM 87 C THR A 7 10.961 -5.440 4.039 1.00 24.24 C ATOM 88 O THR A 7 10.481 -6.231 4.846 1.00 11.04 O ATOM 89 CB THR A 7 12.638 -3.600 4.612 1.00 13.11 C ATOM 90 OG1 THR A 7 13.965 -3.164 4.358 1.00 24.51 O ATOM 91 CG2 THR A 7 12.370 -3.434 6.109 1.00 53.13 C ATOM 0 H THR A 7 13.415 -4.387 2.420 1.00 10.02 H new ATOM 0 HA THR A 7 12.901 -5.696 4.896 1.00 34.34 H new ATOM 0 HB THR A 7 11.923 -3.001 4.049 1.00 13.11 H new ATOM 0 HG1 THR A 7 14.068 -2.238 4.660 1.00 24.51 H new ATOM 0 HG21 THR A 7 12.522 -2.393 6.393 1.00 53.13 H new ATOM 0 HG22 THR A 7 11.343 -3.724 6.329 1.00 53.13 H new ATOM 0 HG23 THR A 7 13.054 -4.067 6.674 1.00 53.13 H new ATOM 99 N LEU A 8 10.249 -4.939 3.023 1.00 63.31 N ATOM 100 CA LEU A 8 8.844 -5.252 2.775 1.00 52.11 C ATOM 101 C LEU A 8 8.649 -6.752 2.575 1.00 74.34 C ATOM 102 O LEU A 8 7.679 -7.310 3.092 1.00 11.02 O ATOM 103 CB LEU A 8 8.332 -4.514 1.530 1.00 11.35 C ATOM 104 CG LEU A 8 7.741 -3.111 1.770 1.00 45.11 C ATOM 105 CD1 LEU A 8 8.670 -2.144 2.511 1.00 74.44 C ATOM 106 CD2 LEU A 8 7.378 -2.517 0.405 1.00 4.43 C ATOM 0 H LEU A 8 10.644 -4.293 2.340 1.00 63.31 H new ATOM 0 HA LEU A 8 8.278 -4.926 3.648 1.00 52.11 H new ATOM 0 HB2 LEU A 8 9.156 -4.423 0.822 1.00 11.35 H new ATOM 0 HB3 LEU A 8 7.570 -5.131 1.055 1.00 11.35 H new ATOM 0 HG LEU A 8 6.874 -3.236 2.418 1.00 45.11 H new ATOM 0 HD11 LEU A 8 8.171 -1.183 2.635 1.00 74.44 H new ATOM 0 HD12 LEU A 8 8.916 -2.554 3.491 1.00 74.44 H new ATOM 0 HD13 LEU A 8 9.585 -2.006 1.936 1.00 74.44 H new ATOM 0 HD21 LEU A 8 6.956 -1.521 0.542 1.00 4.43 H new ATOM 0 HD22 LEU A 8 8.274 -2.450 -0.212 1.00 4.43 H new ATOM 0 HD23 LEU A 8 6.646 -3.157 -0.087 1.00 4.43 H new ATOM 118 N LEU A 9 9.540 -7.402 1.820 1.00 74.43 N ATOM 119 CA LEU A 9 9.512 -8.846 1.594 1.00 63.10 C ATOM 120 C LEU A 9 9.553 -9.609 2.917 1.00 34.54 C ATOM 121 O LEU A 9 8.994 -10.704 2.998 1.00 71.52 O ATOM 122 CB LEU A 9 10.697 -9.273 0.707 1.00 41.43 C ATOM 123 CG LEU A 9 10.454 -9.087 -0.801 1.00 65.11 C ATOM 124 CD1 LEU A 9 11.781 -9.107 -1.566 1.00 61.33 C ATOM 125 CD2 LEU A 9 9.556 -10.200 -1.353 1.00 13.21 C ATOM 0 H LEU A 9 10.310 -6.932 1.344 1.00 74.43 H new ATOM 0 HA LEU A 9 8.579 -9.088 1.085 1.00 63.10 H new ATOM 0 HB2 LEU A 9 11.578 -8.699 0.995 1.00 41.43 H new ATOM 0 HB3 LEU A 9 10.922 -10.322 0.901 1.00 41.43 H new ATOM 0 HG LEU A 9 9.963 -8.123 -0.936 1.00 65.11 H new ATOM 0 HD11 LEU A 9 11.589 -8.974 -2.631 1.00 61.33 H new ATOM 0 HD12 LEU A 9 12.419 -8.299 -1.209 1.00 61.33 H new ATOM 0 HD13 LEU A 9 12.280 -10.062 -1.404 1.00 61.33 H new ATOM 0 HD21 LEU A 9 9.400 -10.045 -2.421 1.00 13.21 H new ATOM 0 HD22 LEU A 9 10.034 -11.166 -1.192 1.00 13.21 H new ATOM 0 HD23 LEU A 9 8.595 -10.181 -0.839 1.00 13.21 H new ATOM 137 N ASP A 10 10.136 -9.041 3.973 1.00 54.31 N ATOM 138 CA ASP A 10 10.230 -9.680 5.288 1.00 4.34 C ATOM 139 C ASP A 10 9.183 -9.151 6.283 1.00 3.35 C ATOM 140 O ASP A 10 9.057 -9.637 7.409 1.00 52.12 O ATOM 141 CB ASP A 10 11.656 -9.538 5.838 1.00 50.23 C ATOM 142 CG ASP A 10 12.082 -10.812 6.571 1.00 45.03 C ATOM 143 OD1 ASP A 10 11.259 -11.483 7.232 1.00 23.44 O ATOM 144 OD2 ASP A 10 13.275 -11.185 6.503 1.00 4.11 O ATOM 0 H ASP A 10 10.561 -8.114 3.940 1.00 54.31 H new ATOM 0 HA ASP A 10 10.007 -10.739 5.157 1.00 4.34 H new ATOM 0 HB2 ASP A 10 12.348 -9.334 5.021 1.00 50.23 H new ATOM 0 HB3 ASP A 10 11.706 -8.687 6.518 1.00 50.23 H new ATOM 149 N ALA A 11 8.383 -8.163 5.878 1.00 23.23 N ATOM 150 CA ALA A 11 7.499 -7.393 6.745 1.00 31.22 C ATOM 151 C ALA A 11 6.103 -8.023 6.878 1.00 5.35 C ATOM 152 O ALA A 11 5.174 -7.374 7.380 1.00 30.14 O ATOM 153 CB ALA A 11 7.395 -5.983 6.167 1.00 74.52 C ATOM 0 H ALA A 11 8.334 -7.869 4.902 1.00 23.23 H new ATOM 0 HA ALA A 11 7.919 -7.376 7.751 1.00 31.22 H new ATOM 0 HB1 ALA A 11 6.739 -5.380 6.795 1.00 74.52 H new ATOM 0 HB2 ALA A 11 8.385 -5.529 6.136 1.00 74.52 H new ATOM 0 HB3 ALA A 11 6.987 -6.033 5.158 1.00 74.52 H new ATOM 159 N GLY A 12 5.930 -9.251 6.392 1.00 64.32 N ATOM 160 CA GLY A 12 4.671 -9.972 6.362 1.00 62.12 C ATOM 161 C GLY A 12 4.046 -10.027 4.970 1.00 51.43 C ATOM 162 O GLY A 12 2.923 -10.505 4.841 1.00 70.21 O ATOM 0 H GLY A 12 6.700 -9.788 5.993 1.00 64.32 H new ATOM 0 HA2 GLY A 12 4.832 -10.988 6.722 1.00 62.12 H new ATOM 0 HA3 GLY A 12 3.971 -9.498 7.050 1.00 62.12 H new ATOM 166 N LEU A 13 4.716 -9.496 3.942 1.00 13.34 N ATOM 167 CA LEU A 13 4.077 -9.174 2.669 1.00 45.40 C ATOM 168 C LEU A 13 4.575 -10.097 1.549 1.00 70.22 C ATOM 169 O LEU A 13 5.672 -10.655 1.654 1.00 5.34 O ATOM 170 CB LEU A 13 4.379 -7.711 2.323 1.00 12.13 C ATOM 171 CG LEU A 13 4.016 -6.663 3.397 1.00 51.31 C ATOM 172 CD1 LEU A 13 4.701 -5.315 3.128 1.00 21.21 C ATOM 173 CD2 LEU A 13 2.499 -6.463 3.449 1.00 34.13 C ATOM 0 H LEU A 13 5.712 -9.279 3.972 1.00 13.34 H new ATOM 0 HA LEU A 13 3.001 -9.322 2.763 1.00 45.40 H new ATOM 0 HB2 LEU A 13 5.444 -7.624 2.107 1.00 12.13 H new ATOM 0 HB3 LEU A 13 3.846 -7.460 1.406 1.00 12.13 H new ATOM 0 HG LEU A 13 4.371 -7.041 4.356 1.00 51.31 H new ATOM 0 HD11 LEU A 13 4.421 -4.603 3.905 1.00 21.21 H new ATOM 0 HD12 LEU A 13 5.783 -5.449 3.131 1.00 21.21 H new ATOM 0 HD13 LEU A 13 4.386 -4.934 2.157 1.00 21.21 H new ATOM 0 HD21 LEU A 13 2.256 -5.722 4.210 1.00 34.13 H new ATOM 0 HD22 LEU A 13 2.144 -6.116 2.478 1.00 34.13 H new ATOM 0 HD23 LEU A 13 2.016 -7.408 3.696 1.00 34.13 H new ATOM 185 N PRO A 14 3.808 -10.263 0.457 1.00 4.25 N ATOM 186 CA PRO A 14 4.234 -11.029 -0.708 1.00 34.43 C ATOM 187 C PRO A 14 5.157 -10.209 -1.618 1.00 31.44 C ATOM 188 O PRO A 14 5.228 -8.979 -1.515 1.00 64.13 O ATOM 189 CB PRO A 14 2.932 -11.417 -1.411 1.00 65.40 C ATOM 190 CG PRO A 14 2.012 -10.246 -1.103 1.00 4.25 C ATOM 191 CD PRO A 14 2.440 -9.795 0.289 1.00 62.43 C ATOM 0 HA PRO A 14 4.822 -11.904 -0.432 1.00 34.43 H new ATOM 0 HB2 PRO A 14 3.076 -11.545 -2.484 1.00 65.40 H new ATOM 0 HB3 PRO A 14 2.532 -12.356 -1.028 1.00 65.40 H new ATOM 0 HG2 PRO A 14 2.126 -9.446 -1.834 1.00 4.25 H new ATOM 0 HG3 PRO A 14 0.964 -10.546 -1.120 1.00 4.25 H new ATOM 0 HD2 PRO A 14 2.384 -8.710 0.383 1.00 62.43 H new ATOM 0 HD3 PRO A 14 1.787 -10.215 1.054 1.00 62.43 H new ATOM 199 N GLN A 15 5.804 -10.884 -2.575 1.00 33.01 N ATOM 200 CA GLN A 15 6.701 -10.280 -3.552 1.00 33.02 C ATOM 201 C GLN A 15 5.906 -9.368 -4.459 1.00 22.33 C ATOM 202 O GLN A 15 6.324 -8.236 -4.684 1.00 34.24 O ATOM 203 CB GLN A 15 7.445 -11.371 -4.345 1.00 13.23 C ATOM 204 CG GLN A 15 8.223 -10.793 -5.545 1.00 50.13 C ATOM 205 CD GLN A 15 9.232 -11.767 -6.163 1.00 45.21 C ATOM 206 OE1 GLN A 15 9.442 -12.881 -5.691 1.00 43.41 O ATOM 207 NE2 GLN A 15 9.879 -11.371 -7.244 1.00 25.02 N ATOM 0 H GLN A 15 5.712 -11.893 -2.690 1.00 33.01 H new ATOM 0 HA GLN A 15 7.457 -9.683 -3.042 1.00 33.02 H new ATOM 0 HB2 GLN A 15 8.137 -11.891 -3.682 1.00 13.23 H new ATOM 0 HB3 GLN A 15 6.728 -12.111 -4.702 1.00 13.23 H new ATOM 0 HG2 GLN A 15 7.512 -10.488 -6.313 1.00 50.13 H new ATOM 0 HG3 GLN A 15 8.751 -9.895 -5.224 1.00 50.13 H new ATOM 0 HE21 GLN A 15 9.702 -10.445 -7.634 1.00 25.02 H new ATOM 0 HE22 GLN A 15 10.555 -11.991 -7.689 1.00 25.02 H new ATOM 216 N LYS A 16 4.770 -9.841 -4.973 1.00 31.11 N ATOM 217 CA LYS A 16 4.042 -9.083 -5.976 1.00 33.32 C ATOM 218 C LYS A 16 3.678 -7.691 -5.459 1.00 65.32 C ATOM 219 O LYS A 16 3.795 -6.718 -6.201 1.00 74.34 O ATOM 220 CB LYS A 16 2.800 -9.865 -6.455 1.00 34.45 C ATOM 221 CG LYS A 16 2.873 -10.356 -7.909 1.00 63.41 C ATOM 222 CD LYS A 16 1.767 -9.837 -8.841 1.00 3.44 C ATOM 223 CE LYS A 16 1.955 -8.370 -9.265 1.00 71.03 C ATOM 224 NZ LYS A 16 1.123 -8.013 -10.445 1.00 53.31 N ATOM 0 H LYS A 16 4.344 -10.731 -4.713 1.00 31.11 H new ATOM 0 HA LYS A 16 4.693 -8.941 -6.839 1.00 33.32 H new ATOM 0 HB2 LYS A 16 2.655 -10.726 -5.802 1.00 34.45 H new ATOM 0 HB3 LYS A 16 1.922 -9.229 -6.344 1.00 34.45 H new ATOM 0 HG2 LYS A 16 3.838 -10.066 -8.324 1.00 63.41 H new ATOM 0 HG3 LYS A 16 2.841 -11.446 -7.908 1.00 63.41 H new ATOM 0 HD2 LYS A 16 1.732 -10.462 -9.733 1.00 3.44 H new ATOM 0 HD3 LYS A 16 0.804 -9.941 -8.341 1.00 3.44 H new ATOM 0 HE2 LYS A 16 1.698 -7.717 -8.431 1.00 71.03 H new ATOM 0 HE3 LYS A 16 3.005 -8.193 -9.497 1.00 71.03 H new ATOM 0 HZ1 LYS A 16 1.283 -7.016 -10.694 1.00 53.31 H new ATOM 0 HZ2 LYS A 16 1.385 -8.617 -11.250 1.00 53.31 H new ATOM 0 HZ3 LYS A 16 0.118 -8.156 -10.217 1.00 53.31 H new ATOM 238 N VAL A 17 3.215 -7.607 -4.209 1.00 65.33 N ATOM 239 CA VAL A 17 2.928 -6.349 -3.532 1.00 34.23 C ATOM 240 C VAL A 17 4.248 -5.589 -3.391 1.00 71.10 C ATOM 241 O VAL A 17 4.332 -4.454 -3.859 1.00 43.12 O ATOM 242 CB VAL A 17 2.228 -6.637 -2.183 1.00 33.01 C ATOM 243 CG1 VAL A 17 1.993 -5.420 -1.275 1.00 70.11 C ATOM 244 CG2 VAL A 17 0.850 -7.273 -2.436 1.00 33.03 C ATOM 0 H VAL A 17 3.027 -8.428 -3.633 1.00 65.33 H new ATOM 0 HA VAL A 17 2.239 -5.722 -4.099 1.00 34.23 H new ATOM 0 HB VAL A 17 2.923 -7.296 -1.663 1.00 33.01 H new ATOM 0 HG11 VAL A 17 1.497 -5.740 -0.359 1.00 70.11 H new ATOM 0 HG12 VAL A 17 2.950 -4.960 -1.028 1.00 70.11 H new ATOM 0 HG13 VAL A 17 1.365 -4.695 -1.793 1.00 70.11 H new ATOM 0 HG21 VAL A 17 0.361 -7.474 -1.483 1.00 33.03 H new ATOM 0 HG22 VAL A 17 0.236 -6.589 -3.022 1.00 33.03 H new ATOM 0 HG23 VAL A 17 0.975 -8.207 -2.983 1.00 33.03 H new ATOM 254 N ALA A 18 5.276 -6.221 -2.808 1.00 10.41 N ATOM 255 CA ALA A 18 6.559 -5.597 -2.502 1.00 34.32 C ATOM 256 C ALA A 18 7.129 -4.869 -3.707 1.00 45.44 C ATOM 257 O ALA A 18 7.445 -3.693 -3.589 1.00 54.13 O ATOM 258 CB ALA A 18 7.549 -6.622 -1.928 1.00 54.20 C ATOM 0 H ALA A 18 5.232 -7.202 -2.532 1.00 10.41 H new ATOM 0 HA ALA A 18 6.387 -4.844 -1.732 1.00 34.32 H new ATOM 0 HB1 ALA A 18 8.496 -6.130 -1.709 1.00 54.20 H new ATOM 0 HB2 ALA A 18 7.141 -7.048 -1.011 1.00 54.20 H new ATOM 0 HB3 ALA A 18 7.713 -7.417 -2.656 1.00 54.20 H new ATOM 264 N GLU A 19 7.220 -5.520 -4.867 1.00 50.20 N ATOM 265 CA GLU A 19 7.788 -4.920 -6.068 1.00 50.33 C ATOM 266 C GLU A 19 7.086 -3.604 -6.426 1.00 31.05 C ATOM 267 O GLU A 19 7.728 -2.615 -6.802 1.00 73.41 O ATOM 268 CB GLU A 19 7.645 -5.867 -7.267 1.00 32.11 C ATOM 269 CG GLU A 19 8.422 -7.185 -7.179 1.00 21.41 C ATOM 270 CD GLU A 19 8.489 -7.918 -8.523 1.00 14.14 C ATOM 271 OE1 GLU A 19 7.981 -7.385 -9.546 1.00 65.14 O ATOM 272 OE2 GLU A 19 9.117 -8.999 -8.575 1.00 31.44 O ATOM 0 H GLU A 19 6.900 -6.480 -4.997 1.00 50.20 H new ATOM 0 HA GLU A 19 8.840 -4.729 -5.855 1.00 50.33 H new ATOM 0 HB2 GLU A 19 6.588 -6.099 -7.397 1.00 32.11 H new ATOM 0 HB3 GLU A 19 7.967 -5.337 -8.163 1.00 32.11 H new ATOM 0 HG2 GLU A 19 9.434 -6.984 -6.828 1.00 21.41 H new ATOM 0 HG3 GLU A 19 7.951 -7.832 -6.439 1.00 21.41 H new ATOM 279 N LYS A 20 5.751 -3.607 -6.377 1.00 52.50 N ATOM 280 CA LYS A 20 4.940 -2.476 -6.811 1.00 44.42 C ATOM 281 C LYS A 20 4.946 -1.361 -5.762 1.00 25.23 C ATOM 282 O LYS A 20 4.989 -0.193 -6.148 1.00 42.11 O ATOM 283 CB LYS A 20 3.518 -2.959 -7.147 1.00 31.34 C ATOM 284 CG LYS A 20 3.322 -3.373 -8.619 1.00 30.31 C ATOM 285 CD LYS A 20 4.032 -4.655 -9.109 1.00 72.00 C ATOM 286 CE LYS A 20 5.436 -4.344 -9.656 1.00 43.54 C ATOM 287 NZ LYS A 20 6.132 -5.479 -10.318 1.00 5.11 N ATOM 0 H LYS A 20 5.205 -4.397 -6.034 1.00 52.50 H new ATOM 0 HA LYS A 20 5.371 -2.048 -7.716 1.00 44.42 H new ATOM 0 HB2 LYS A 20 3.274 -3.807 -6.507 1.00 31.34 H new ATOM 0 HB3 LYS A 20 2.811 -2.165 -6.907 1.00 31.34 H new ATOM 0 HG2 LYS A 20 2.253 -3.495 -8.793 1.00 30.31 H new ATOM 0 HG3 LYS A 20 3.654 -2.546 -9.246 1.00 30.31 H new ATOM 0 HD2 LYS A 20 4.109 -5.367 -8.287 1.00 72.00 H new ATOM 0 HD3 LYS A 20 3.434 -5.130 -9.887 1.00 72.00 H new ATOM 0 HE2 LYS A 20 5.355 -3.524 -10.370 1.00 43.54 H new ATOM 0 HE3 LYS A 20 6.057 -3.990 -8.833 1.00 43.54 H new ATOM 0 HZ1 LYS A 20 6.897 -5.113 -10.920 1.00 5.11 H new ATOM 0 HZ2 LYS A 20 6.533 -6.110 -9.595 1.00 5.11 H new ATOM 0 HZ3 LYS A 20 5.454 -6.009 -10.902 1.00 5.11 H new ATOM 301 N LEU A 21 4.904 -1.712 -4.474 1.00 70.32 N ATOM 302 CA LEU A 21 4.884 -0.805 -3.326 1.00 70.11 C ATOM 303 C LEU A 21 6.234 -0.125 -3.141 1.00 44.33 C ATOM 304 O LEU A 21 6.274 1.065 -2.851 1.00 53.50 O ATOM 305 CB LEU A 21 4.507 -1.637 -2.082 1.00 24.05 C ATOM 306 CG LEU A 21 4.211 -0.860 -0.791 1.00 11.11 C ATOM 307 CD1 LEU A 21 3.268 0.330 -0.987 1.00 23.02 C ATOM 308 CD2 LEU A 21 3.614 -1.814 0.253 1.00 65.02 C ATOM 0 H LEU A 21 4.882 -2.691 -4.190 1.00 70.32 H new ATOM 0 HA LEU A 21 4.154 -0.012 -3.485 1.00 70.11 H new ATOM 0 HB2 LEU A 21 3.629 -2.235 -2.327 1.00 24.05 H new ATOM 0 HB3 LEU A 21 5.321 -2.333 -1.880 1.00 24.05 H new ATOM 0 HG LEU A 21 5.163 -0.450 -0.453 1.00 11.11 H new ATOM 0 HD11 LEU A 21 3.107 0.828 -0.031 1.00 23.02 H new ATOM 0 HD12 LEU A 21 3.711 1.033 -1.692 1.00 23.02 H new ATOM 0 HD13 LEU A 21 2.313 -0.023 -1.377 1.00 23.02 H new ATOM 0 HD21 LEU A 21 3.403 -1.264 1.170 1.00 65.02 H new ATOM 0 HD22 LEU A 21 2.690 -2.243 -0.133 1.00 65.02 H new ATOM 0 HD23 LEU A 21 4.325 -2.613 0.464 1.00 65.02 H new ATOM 320 N ASP A 22 7.324 -0.860 -3.348 1.00 13.55 N ATOM 321 CA ASP A 22 8.694 -0.394 -3.165 1.00 73.14 C ATOM 322 C ASP A 22 8.972 0.838 -4.017 1.00 53.41 C ATOM 323 O ASP A 22 9.539 1.810 -3.530 1.00 61.14 O ATOM 324 CB ASP A 22 9.648 -1.547 -3.499 1.00 61.30 C ATOM 325 CG ASP A 22 11.044 -1.084 -3.893 1.00 64.22 C ATOM 326 OD1 ASP A 22 11.920 -0.946 -3.020 1.00 41.32 O ATOM 327 OD2 ASP A 22 11.275 -0.974 -5.119 1.00 32.22 O ATOM 0 H ASP A 22 7.275 -1.830 -3.659 1.00 13.55 H new ATOM 0 HA ASP A 22 8.848 -0.092 -2.129 1.00 73.14 H new ATOM 0 HB2 ASP A 22 9.723 -2.208 -2.636 1.00 61.30 H new ATOM 0 HB3 ASP A 22 9.225 -2.134 -4.314 1.00 61.30 H new ATOM 332 N GLU A 23 8.497 0.825 -5.261 1.00 74.12 N ATOM 333 CA GLU A 23 8.651 1.900 -6.233 1.00 25.23 C ATOM 334 C GLU A 23 7.930 3.191 -5.820 1.00 42.30 C ATOM 335 O GLU A 23 8.281 4.278 -6.289 1.00 30.05 O ATOM 336 CB GLU A 23 8.101 1.382 -7.570 1.00 23.23 C ATOM 337 CG GLU A 23 9.193 0.722 -8.424 1.00 63.41 C ATOM 338 CD GLU A 23 10.112 1.751 -9.074 1.00 25.41 C ATOM 339 OE1 GLU A 23 9.597 2.602 -9.835 1.00 51.44 O ATOM 340 OE2 GLU A 23 11.338 1.717 -8.835 1.00 51.32 O ATOM 0 H GLU A 23 7.974 0.032 -5.632 1.00 74.12 H new ATOM 0 HA GLU A 23 9.706 2.164 -6.307 1.00 25.23 H new ATOM 0 HB2 GLU A 23 7.305 0.662 -7.380 1.00 23.23 H new ATOM 0 HB3 GLU A 23 7.657 2.209 -8.124 1.00 23.23 H new ATOM 0 HG2 GLU A 23 9.784 0.051 -7.801 1.00 63.41 H new ATOM 0 HG3 GLU A 23 8.728 0.111 -9.198 1.00 63.41 H new ATOM 347 N ILE A 24 6.917 3.109 -4.954 1.00 51.21 N ATOM 348 CA ILE A 24 6.202 4.280 -4.439 1.00 73.23 C ATOM 349 C ILE A 24 7.138 5.044 -3.477 1.00 50.24 C ATOM 350 O ILE A 24 6.989 6.252 -3.286 1.00 63.14 O ATOM 351 CB ILE A 24 4.861 3.846 -3.777 1.00 41.42 C ATOM 352 CG1 ILE A 24 4.107 2.811 -4.649 1.00 71.34 C ATOM 353 CG2 ILE A 24 3.929 5.035 -3.489 1.00 4.55 C ATOM 354 CD1 ILE A 24 2.714 2.392 -4.160 1.00 41.14 C ATOM 0 H ILE A 24 6.568 2.223 -4.588 1.00 51.21 H new ATOM 0 HA ILE A 24 5.931 4.958 -5.249 1.00 73.23 H new ATOM 0 HB ILE A 24 5.136 3.390 -2.826 1.00 41.42 H new ATOM 0 HG12 ILE A 24 4.007 3.220 -5.655 1.00 71.34 H new ATOM 0 HG13 ILE A 24 4.725 1.916 -4.728 1.00 71.34 H new ATOM 0 HG21 ILE A 24 3.010 4.673 -3.028 1.00 4.55 H new ATOM 0 HG22 ILE A 24 4.425 5.731 -2.812 1.00 4.55 H new ATOM 0 HG23 ILE A 24 3.690 5.545 -4.422 1.00 4.55 H new ATOM 0 HD11 ILE A 24 2.289 1.666 -4.852 1.00 41.14 H new ATOM 0 HD12 ILE A 24 2.795 1.945 -3.169 1.00 41.14 H new ATOM 0 HD13 ILE A 24 2.067 3.268 -4.110 1.00 41.14 H new ATOM 366 N TYR A 25 8.147 4.359 -2.927 1.00 63.42 N ATOM 367 CA TYR A 25 9.128 4.867 -1.973 1.00 61.43 C ATOM 368 C TYR A 25 10.483 5.161 -2.637 1.00 5.44 C ATOM 369 O TYR A 25 11.513 5.168 -1.955 1.00 70.50 O ATOM 370 CB TYR A 25 9.272 3.860 -0.821 1.00 51.31 C ATOM 371 CG TYR A 25 7.978 3.383 -0.191 1.00 41.32 C ATOM 372 CD1 TYR A 25 6.988 4.324 0.126 1.00 52.11 C ATOM 373 CD2 TYR A 25 7.759 2.018 0.079 1.00 33.31 C ATOM 374 CE1 TYR A 25 5.780 3.921 0.707 1.00 33.12 C ATOM 375 CE2 TYR A 25 6.547 1.604 0.658 1.00 22.42 C ATOM 376 CZ TYR A 25 5.546 2.555 0.960 1.00 4.53 C ATOM 377 OH TYR A 25 4.365 2.168 1.516 1.00 2.45 O ATOM 0 H TYR A 25 8.306 3.377 -3.152 1.00 63.42 H new ATOM 0 HA TYR A 25 8.773 5.819 -1.579 1.00 61.43 H new ATOM 0 HB2 TYR A 25 9.815 2.990 -1.190 1.00 51.31 H new ATOM 0 HB3 TYR A 25 9.887 4.313 -0.043 1.00 51.31 H new ATOM 0 HD1 TYR A 25 7.159 5.370 -0.080 1.00 52.11 H new ATOM 0 HD2 TYR A 25 8.521 1.291 -0.159 1.00 33.31 H new ATOM 0 HE1 TYR A 25 5.030 4.655 0.961 1.00 33.12 H new ATOM 0 HE2 TYR A 25 6.381 0.559 0.872 1.00 22.42 H new ATOM 0 HH TYR A 25 3.658 2.792 1.249 1.00 2.45 H new ATOM 387 N VAL A 26 10.493 5.399 -3.953 1.00 34.32 N ATOM 388 CA VAL A 26 11.679 5.803 -4.708 1.00 51.41 C ATOM 389 C VAL A 26 11.495 7.212 -5.278 1.00 72.50 C ATOM 390 O VAL A 26 12.434 8.001 -5.295 1.00 45.24 O ATOM 391 CB VAL A 26 11.964 4.765 -5.814 1.00 12.02 C ATOM 392 CG1 VAL A 26 13.169 5.158 -6.674 1.00 62.23 C ATOM 393 CG2 VAL A 26 12.272 3.392 -5.212 1.00 32.11 C ATOM 0 H VAL A 26 9.658 5.314 -4.533 1.00 34.32 H new ATOM 0 HA VAL A 26 12.543 5.836 -4.045 1.00 51.41 H new ATOM 0 HB VAL A 26 11.064 4.729 -6.428 1.00 12.02 H new ATOM 0 HG11 VAL A 26 13.333 4.399 -7.439 1.00 62.23 H new ATOM 0 HG12 VAL A 26 12.977 6.119 -7.151 1.00 62.23 H new ATOM 0 HG13 VAL A 26 14.055 5.236 -6.044 1.00 62.23 H new ATOM 0 HG21 VAL A 26 12.469 2.679 -6.013 1.00 32.11 H new ATOM 0 HG22 VAL A 26 13.148 3.465 -4.568 1.00 32.11 H new ATOM 0 HG23 VAL A 26 11.418 3.052 -4.626 1.00 32.11 H new ATOM 403 N ALA A 27 10.290 7.549 -5.751 1.00 71.10 N ATOM 404 CA ALA A 27 10.049 8.790 -6.486 1.00 65.40 C ATOM 405 C ALA A 27 9.893 10.013 -5.564 1.00 22.34 C ATOM 406 O ALA A 27 9.530 11.099 -6.033 1.00 50.41 O ATOM 407 CB ALA A 27 8.826 8.587 -7.385 1.00 54.23 C ATOM 0 H ALA A 27 9.459 6.970 -5.634 1.00 71.10 H new ATOM 0 HA ALA A 27 10.923 9.012 -7.098 1.00 65.40 H new ATOM 0 HB1 ALA A 27 8.629 9.502 -7.943 1.00 54.23 H new ATOM 0 HB2 ALA A 27 9.018 7.771 -8.082 1.00 54.23 H new ATOM 0 HB3 ALA A 27 7.959 8.343 -6.771 1.00 54.23 H new ATOM 413 N GLY A 28 10.103 9.835 -4.258 1.00 2.35 N ATOM 414 CA GLY A 28 10.073 10.847 -3.214 1.00 4.43 C ATOM 415 C GLY A 28 8.705 10.996 -2.547 1.00 50.00 C ATOM 416 O GLY A 28 8.596 11.691 -1.536 1.00 71.51 O ATOM 0 H GLY A 28 10.313 8.911 -3.881 1.00 2.35 H new ATOM 0 HA2 GLY A 28 10.813 10.596 -2.454 1.00 4.43 H new ATOM 0 HA3 GLY A 28 10.367 11.806 -3.640 1.00 4.43 H new ATOM 420 N LEU A 29 7.680 10.341 -3.099 1.00 1.12 N ATOM 421 CA LEU A 29 6.260 10.562 -2.826 1.00 10.41 C ATOM 422 C LEU A 29 5.959 10.273 -1.369 1.00 4.13 C ATOM 423 O LEU A 29 5.532 11.153 -0.619 1.00 63.00 O ATOM 424 CB LEU A 29 5.392 9.677 -3.749 1.00 51.12 C ATOM 425 CG LEU A 29 5.756 9.855 -5.231 1.00 54.24 C ATOM 426 CD1 LEU A 29 4.882 8.958 -6.094 1.00 30.25 C ATOM 427 CD2 LEU A 29 5.659 11.300 -5.725 1.00 72.13 C ATOM 0 H LEU A 29 7.828 9.602 -3.786 1.00 1.12 H new ATOM 0 HA LEU A 29 6.020 11.606 -3.029 1.00 10.41 H new ATOM 0 HB2 LEU A 29 5.516 8.631 -3.469 1.00 51.12 H new ATOM 0 HB3 LEU A 29 4.340 9.923 -3.602 1.00 51.12 H new ATOM 0 HG LEU A 29 6.804 9.569 -5.320 1.00 54.24 H new ATOM 0 HD11 LEU A 29 5.148 9.091 -7.143 1.00 30.25 H new ATOM 0 HD12 LEU A 29 5.037 7.917 -5.810 1.00 30.25 H new ATOM 0 HD13 LEU A 29 3.834 9.222 -5.949 1.00 30.25 H new ATOM 0 HD21 LEU A 29 5.931 11.343 -6.780 1.00 72.13 H new ATOM 0 HD22 LEU A 29 4.638 11.660 -5.599 1.00 72.13 H new ATOM 0 HD23 LEU A 29 6.339 11.928 -5.149 1.00 72.13 H new ATOM 439 N VAL A 30 6.207 9.029 -0.975 1.00 72.01 N ATOM 440 CA VAL A 30 6.088 8.580 0.406 1.00 31.01 C ATOM 441 C VAL A 30 7.356 7.827 0.820 1.00 45.32 C ATOM 442 O VAL A 30 8.281 7.671 0.019 1.00 5.25 O ATOM 443 CB VAL A 30 4.774 7.781 0.575 1.00 62.03 C ATOM 444 CG1 VAL A 30 3.603 8.748 0.748 1.00 44.32 C ATOM 445 CG2 VAL A 30 4.429 6.870 -0.610 1.00 71.03 C ATOM 0 H VAL A 30 6.501 8.293 -1.617 1.00 72.01 H new ATOM 0 HA VAL A 30 6.015 9.424 1.092 1.00 31.01 H new ATOM 0 HB VAL A 30 4.935 7.150 1.449 1.00 62.03 H new ATOM 0 HG11 VAL A 30 2.679 8.183 0.867 1.00 44.32 H new ATOM 0 HG12 VAL A 30 3.768 9.364 1.632 1.00 44.32 H new ATOM 0 HG13 VAL A 30 3.526 9.388 -0.131 1.00 44.32 H new ATOM 0 HG21 VAL A 30 3.494 6.348 -0.408 1.00 71.03 H new ATOM 0 HG22 VAL A 30 4.321 7.472 -1.512 1.00 71.03 H new ATOM 0 HG23 VAL A 30 5.227 6.142 -0.753 1.00 71.03 H new ATOM 455 N ALA A 31 7.415 7.362 2.069 1.00 73.22 N ATOM 456 CA ALA A 31 8.464 6.488 2.574 1.00 65.34 C ATOM 457 C ALA A 31 7.833 5.212 3.115 1.00 53.41 C ATOM 458 O ALA A 31 6.631 5.178 3.404 1.00 32.34 O ATOM 459 CB ALA A 31 9.234 7.190 3.690 1.00 72.52 C ATOM 0 H ALA A 31 6.713 7.592 2.773 1.00 73.22 H new ATOM 0 HA ALA A 31 9.154 6.245 1.766 1.00 65.34 H new ATOM 0 HB1 ALA A 31 10.017 6.530 4.063 1.00 72.52 H new ATOM 0 HB2 ALA A 31 9.684 8.104 3.302 1.00 72.52 H new ATOM 0 HB3 ALA A 31 8.551 7.438 4.503 1.00 72.52 H new ATOM 465 N HIS A 32 8.666 4.189 3.319 1.00 54.40 N ATOM 466 CA HIS A 32 8.244 2.849 3.708 1.00 12.15 C ATOM 467 C HIS A 32 7.480 2.794 5.043 1.00 34.41 C ATOM 468 O HIS A 32 6.853 1.769 5.331 1.00 43.21 O ATOM 469 CB HIS A 32 9.460 1.908 3.711 1.00 74.43 C ATOM 470 CG HIS A 32 10.346 2.020 4.930 1.00 10.32 C ATOM 471 ND1 HIS A 32 10.437 1.078 5.930 1.00 45.43 N ATOM 472 CD2 HIS A 32 11.196 3.048 5.253 1.00 22.14 C ATOM 473 CE1 HIS A 32 11.306 1.532 6.842 1.00 65.23 C ATOM 474 NE2 HIS A 32 11.803 2.726 6.476 1.00 14.43 N ATOM 0 H HIS A 32 9.677 4.276 3.215 1.00 54.40 H new ATOM 0 HA HIS A 32 7.522 2.513 2.963 1.00 12.15 H new ATOM 0 HB2 HIS A 32 9.106 0.880 3.630 1.00 74.43 H new ATOM 0 HB3 HIS A 32 10.060 2.110 2.824 1.00 74.43 H new ATOM 0 HD2 HIS A 32 11.366 3.942 4.672 1.00 22.14 H new ATOM 0 HE1 HIS A 32 11.572 1.009 7.749 1.00 65.23 H new ATOM 0 HE2 HIS A 32 12.486 3.286 6.986 1.00 14.43 H new ATOM 482 N SER A 33 7.481 3.874 5.831 1.00 3.32 N ATOM 483 CA SER A 33 6.853 3.952 7.141 1.00 32.24 C ATOM 484 C SER A 33 6.002 5.222 7.313 1.00 65.14 C ATOM 485 O SER A 33 5.724 5.639 8.437 1.00 31.45 O ATOM 486 CB SER A 33 7.938 3.785 8.210 1.00 3.45 C ATOM 487 OG SER A 33 7.398 3.174 9.362 1.00 31.12 O ATOM 0 H SER A 33 7.937 4.745 5.559 1.00 3.32 H new ATOM 0 HA SER A 33 6.134 3.140 7.252 1.00 32.24 H new ATOM 0 HB2 SER A 33 8.755 3.180 7.818 1.00 3.45 H new ATOM 0 HB3 SER A 33 8.357 4.758 8.468 1.00 3.45 H new ATOM 0 HG SER A 33 8.101 3.071 10.037 1.00 31.12 H new ATOM 493 N ASP A 34 5.518 5.829 6.222 1.00 50.02 N ATOM 494 CA ASP A 34 4.521 6.914 6.291 1.00 44.11 C ATOM 495 C ASP A 34 3.118 6.369 6.651 1.00 74.31 C ATOM 496 O ASP A 34 2.093 6.853 6.173 1.00 43.50 O ATOM 497 CB ASP A 34 4.514 7.730 4.983 1.00 61.11 C ATOM 498 CG ASP A 34 4.173 9.204 5.236 1.00 54.22 C ATOM 499 OD1 ASP A 34 3.206 9.510 5.965 1.00 74.03 O ATOM 500 OD2 ASP A 34 4.888 10.077 4.691 1.00 72.40 O ATOM 0 H ASP A 34 5.801 5.587 5.272 1.00 50.02 H new ATOM 0 HA ASP A 34 4.807 7.592 7.095 1.00 44.11 H new ATOM 0 HB2 ASP A 34 5.491 7.659 4.505 1.00 61.11 H new ATOM 0 HB3 ASP A 34 3.789 7.302 4.291 1.00 61.11 H new ATOM 505 N LEU A 35 3.052 5.278 7.425 1.00 44.41 N ATOM 506 CA LEU A 35 1.896 4.404 7.620 1.00 5.25 C ATOM 507 C LEU A 35 1.570 4.277 9.110 1.00 44.31 C ATOM 508 O LEU A 35 2.189 4.942 9.943 1.00 31.31 O ATOM 509 CB LEU A 35 2.144 3.041 6.944 1.00 12.13 C ATOM 510 CG LEU A 35 2.318 3.123 5.414 1.00 11.32 C ATOM 511 CD1 LEU A 35 2.361 1.709 4.826 1.00 1.22 C ATOM 512 CD2 LEU A 35 1.178 3.892 4.734 1.00 12.15 C ATOM 0 H LEU A 35 3.859 4.965 7.965 1.00 44.41 H new ATOM 0 HA LEU A 35 1.019 4.843 7.143 1.00 5.25 H new ATOM 0 HB2 LEU A 35 3.036 2.589 7.377 1.00 12.13 H new ATOM 0 HB3 LEU A 35 1.309 2.378 7.170 1.00 12.13 H new ATOM 0 HG LEU A 35 3.250 3.657 5.228 1.00 11.32 H new ATOM 0 HD11 LEU A 35 2.484 1.768 3.745 1.00 1.22 H new ATOM 0 HD12 LEU A 35 3.199 1.161 5.257 1.00 1.22 H new ATOM 0 HD13 LEU A 35 1.431 1.190 5.057 1.00 1.22 H new ATOM 0 HD21 LEU A 35 1.349 3.920 3.658 1.00 12.15 H new ATOM 0 HD22 LEU A 35 0.230 3.393 4.938 1.00 12.15 H new ATOM 0 HD23 LEU A 35 1.143 4.910 5.123 1.00 12.15 H new ATOM 524 N ASP A 36 0.569 3.469 9.453 1.00 61.30 N ATOM 525 CA ASP A 36 0.212 3.105 10.821 1.00 64.22 C ATOM 526 C ASP A 36 -0.082 1.609 10.823 1.00 44.41 C ATOM 527 O ASP A 36 -0.369 1.025 9.775 1.00 13.35 O ATOM 528 CB ASP A 36 -1.045 3.836 11.320 1.00 21.42 C ATOM 529 CG ASP A 36 -0.845 5.297 11.704 1.00 3.35 C ATOM 530 OD1 ASP A 36 -0.805 6.172 10.814 1.00 3.13 O ATOM 531 OD2 ASP A 36 -0.840 5.610 12.919 1.00 41.44 O ATOM 0 H ASP A 36 -0.038 3.034 8.759 1.00 61.30 H new ATOM 0 HA ASP A 36 1.036 3.381 11.479 1.00 64.22 H new ATOM 0 HB2 ASP A 36 -1.807 3.784 10.542 1.00 21.42 H new ATOM 0 HB3 ASP A 36 -1.436 3.301 12.186 1.00 21.42 H new ATOM 536 N GLU A 37 -0.085 1.013 12.010 1.00 13.21 N ATOM 537 CA GLU A 37 -0.251 -0.420 12.243 1.00 74.40 C ATOM 538 C GLU A 37 -1.548 -0.945 11.616 1.00 25.32 C ATOM 539 O GLU A 37 -1.545 -2.022 11.023 1.00 72.30 O ATOM 540 CB GLU A 37 -0.187 -0.677 13.756 1.00 24.33 C ATOM 541 CG GLU A 37 -0.132 -2.153 14.164 1.00 51.24 C ATOM 542 CD GLU A 37 0.278 -2.252 15.637 1.00 65.12 C ATOM 543 OE1 GLU A 37 1.489 -2.099 15.912 1.00 12.41 O ATOM 544 OE2 GLU A 37 -0.575 -2.442 16.531 1.00 10.32 O ATOM 0 H GLU A 37 0.033 1.538 12.876 1.00 13.21 H new ATOM 0 HA GLU A 37 0.555 -0.970 11.757 1.00 74.40 H new ATOM 0 HB2 GLU A 37 0.692 -0.172 14.157 1.00 24.33 H new ATOM 0 HB3 GLU A 37 -1.059 -0.219 14.224 1.00 24.33 H new ATOM 0 HG2 GLU A 37 -1.104 -2.621 14.012 1.00 51.24 H new ATOM 0 HG3 GLU A 37 0.581 -2.690 13.538 1.00 51.24 H new ATOM 551 N ARG A 38 -2.631 -0.160 11.669 1.00 14.15 N ATOM 552 CA ARG A 38 -3.904 -0.484 11.013 1.00 31.15 C ATOM 553 C ARG A 38 -3.772 -0.745 9.514 1.00 22.02 C ATOM 554 O ARG A 38 -4.477 -1.597 8.970 1.00 31.24 O ATOM 555 CB ARG A 38 -4.984 0.571 11.290 1.00 3.52 C ATOM 556 CG ARG A 38 -4.501 1.998 11.036 1.00 45.23 C ATOM 557 CD ARG A 38 -5.668 2.982 11.121 1.00 45.53 C ATOM 558 NE ARG A 38 -5.234 4.383 10.951 1.00 32.32 N ATOM 559 CZ ARG A 38 -5.926 5.343 10.324 1.00 24.25 C ATOM 560 NH1 ARG A 38 -7.079 5.072 9.727 1.00 1.31 N ATOM 561 NH2 ARG A 38 -5.471 6.587 10.300 1.00 23.24 N ATOM 0 H ARG A 38 -2.649 0.726 12.173 1.00 14.15 H new ATOM 0 HA ARG A 38 -4.222 -1.424 11.465 1.00 31.15 H new ATOM 0 HB2 ARG A 38 -5.851 0.369 10.661 1.00 3.52 H new ATOM 0 HB3 ARG A 38 -5.313 0.483 12.325 1.00 3.52 H new ATOM 0 HG2 ARG A 38 -3.738 2.265 11.767 1.00 45.23 H new ATOM 0 HG3 ARG A 38 -4.036 2.061 10.052 1.00 45.23 H new ATOM 0 HD2 ARG A 38 -6.404 2.737 10.355 1.00 45.53 H new ATOM 0 HD3 ARG A 38 -6.163 2.872 12.086 1.00 45.53 H new ATOM 0 HE ARG A 38 -4.329 4.642 11.345 1.00 32.32 H new ATOM 0 HH11 ARG A 38 -7.450 4.122 9.742 1.00 1.31 H new ATOM 0 HH12 ARG A 38 -7.595 5.814 9.253 1.00 1.31 H new ATOM 0 HH21 ARG A 38 -4.590 6.817 10.760 1.00 23.24 H new ATOM 0 HH22 ARG A 38 -6.001 7.315 9.821 1.00 23.24 H new ATOM 575 N ALA A 39 -2.894 -0.006 8.840 1.00 45.33 N ATOM 576 CA ALA A 39 -2.658 -0.160 7.416 1.00 72.41 C ATOM 577 C ALA A 39 -1.771 -1.383 7.177 1.00 44.41 C ATOM 578 O ALA A 39 -2.005 -2.138 6.239 1.00 34.21 O ATOM 579 CB ALA A 39 -2.018 1.117 6.858 1.00 2.44 C ATOM 0 H ALA A 39 -2.325 0.720 9.274 1.00 45.33 H new ATOM 0 HA ALA A 39 -3.602 -0.318 6.895 1.00 72.41 H new ATOM 0 HB1 ALA A 39 -1.842 0.999 5.789 1.00 2.44 H new ATOM 0 HB2 ALA A 39 -2.687 1.962 7.024 1.00 2.44 H new ATOM 0 HB3 ALA A 39 -1.070 1.300 7.364 1.00 2.44 H new ATOM 585 N ILE A 40 -0.756 -1.594 8.018 1.00 72.00 N ATOM 586 CA ILE A 40 0.140 -2.740 7.910 1.00 23.33 C ATOM 587 C ILE A 40 -0.647 -4.044 8.058 1.00 33.21 C ATOM 588 O ILE A 40 -0.450 -4.980 7.280 1.00 5.43 O ATOM 589 CB ILE A 40 1.277 -2.601 8.951 1.00 13.23 C ATOM 590 CG1 ILE A 40 2.090 -1.297 8.772 1.00 12.13 C ATOM 591 CG2 ILE A 40 2.201 -3.822 8.905 1.00 62.42 C ATOM 592 CD1 ILE A 40 2.510 -0.975 7.332 1.00 22.05 C ATOM 0 H ILE A 40 -0.534 -0.971 8.795 1.00 72.00 H new ATOM 0 HA ILE A 40 0.601 -2.767 6.923 1.00 23.33 H new ATOM 0 HB ILE A 40 0.805 -2.548 9.932 1.00 13.23 H new ATOM 0 HG12 ILE A 40 1.499 -0.465 9.155 1.00 12.13 H new ATOM 0 HG13 ILE A 40 2.987 -1.361 9.388 1.00 12.13 H new ATOM 0 HG21 ILE A 40 2.994 -3.706 9.644 1.00 62.42 H new ATOM 0 HG22 ILE A 40 1.627 -4.721 9.127 1.00 62.42 H new ATOM 0 HG23 ILE A 40 2.641 -3.908 7.911 1.00 62.42 H new ATOM 0 HD11 ILE A 40 3.074 -0.042 7.317 1.00 22.05 H new ATOM 0 HD12 ILE A 40 3.133 -1.782 6.946 1.00 22.05 H new ATOM 0 HD13 ILE A 40 1.622 -0.872 6.708 1.00 22.05 H new ATOM 604 N GLU A 41 -1.554 -4.095 9.029 1.00 2.31 N ATOM 605 CA GLU A 41 -2.389 -5.251 9.282 1.00 61.13 C ATOM 606 C GLU A 41 -3.314 -5.494 8.088 1.00 44.50 C ATOM 607 O GLU A 41 -3.330 -6.591 7.528 1.00 11.23 O ATOM 608 CB GLU A 41 -3.142 -5.006 10.592 1.00 65.31 C ATOM 609 CG GLU A 41 -3.820 -6.275 11.108 1.00 10.33 C ATOM 610 CD GLU A 41 -3.856 -6.241 12.632 1.00 65.21 C ATOM 611 OE1 GLU A 41 -2.860 -6.683 13.256 1.00 51.21 O ATOM 612 OE2 GLU A 41 -4.864 -5.765 13.207 1.00 32.04 O ATOM 0 H GLU A 41 -1.727 -3.320 9.668 1.00 2.31 H new ATOM 0 HA GLU A 41 -1.798 -6.160 9.395 1.00 61.13 H new ATOM 0 HB2 GLU A 41 -2.448 -4.634 11.345 1.00 65.31 H new ATOM 0 HB3 GLU A 41 -3.892 -4.230 10.439 1.00 65.31 H new ATOM 0 HG2 GLU A 41 -4.832 -6.348 10.710 1.00 10.33 H new ATOM 0 HG3 GLU A 41 -3.278 -7.156 10.765 1.00 10.33 H new ATOM 619 N ALA A 42 -4.026 -4.452 7.645 1.00 10.14 N ATOM 620 CA ALA A 42 -4.939 -4.556 6.519 1.00 5.12 C ATOM 621 C ALA A 42 -4.227 -4.926 5.213 1.00 45.14 C ATOM 622 O ALA A 42 -4.853 -5.592 4.391 1.00 45.13 O ATOM 623 CB ALA A 42 -5.720 -3.253 6.368 1.00 23.22 C ATOM 0 H ALA A 42 -3.981 -3.521 8.059 1.00 10.14 H new ATOM 0 HA ALA A 42 -5.632 -5.371 6.729 1.00 5.12 H new ATOM 0 HB1 ALA A 42 -6.404 -3.334 5.523 1.00 23.22 H new ATOM 0 HB2 ALA A 42 -6.289 -3.062 7.278 1.00 23.22 H new ATOM 0 HB3 ALA A 42 -5.026 -2.431 6.195 1.00 23.22 H new ATOM 629 N LEU A 43 -2.956 -4.543 5.010 1.00 32.23 N ATOM 630 CA LEU A 43 -2.147 -4.997 3.875 1.00 13.23 C ATOM 631 C LEU A 43 -1.994 -6.514 3.915 1.00 50.21 C ATOM 632 O LEU A 43 -2.135 -7.164 2.878 1.00 21.12 O ATOM 633 CB LEU A 43 -0.737 -4.360 3.859 1.00 14.22 C ATOM 634 CG LEU A 43 -0.580 -3.092 3.005 1.00 51.14 C ATOM 635 CD1 LEU A 43 0.820 -2.499 3.206 1.00 14.34 C ATOM 636 CD2 LEU A 43 -0.814 -3.330 1.502 1.00 10.45 C ATOM 0 H LEU A 43 -2.461 -3.906 5.634 1.00 32.23 H new ATOM 0 HA LEU A 43 -2.672 -4.685 2.972 1.00 13.23 H new ATOM 0 HB2 LEU A 43 -0.457 -4.120 4.885 1.00 14.22 H new ATOM 0 HB3 LEU A 43 -0.027 -5.106 3.501 1.00 14.22 H new ATOM 0 HG LEU A 43 -1.350 -2.399 3.343 1.00 51.14 H new ATOM 0 HD11 LEU A 43 0.925 -1.600 2.598 1.00 14.34 H new ATOM 0 HD12 LEU A 43 0.960 -2.245 4.257 1.00 14.34 H new ATOM 0 HD13 LEU A 43 1.571 -3.230 2.906 1.00 14.34 H new ATOM 0 HD21 LEU A 43 -0.687 -2.392 0.961 1.00 10.45 H new ATOM 0 HD22 LEU A 43 -0.095 -4.062 1.133 1.00 10.45 H new ATOM 0 HD23 LEU A 43 -1.826 -3.704 1.346 1.00 10.45 H new ATOM 648 N LYS A 44 -1.671 -7.083 5.083 1.00 71.31 N ATOM 649 CA LYS A 44 -1.537 -8.531 5.220 1.00 14.45 C ATOM 650 C LYS A 44 -2.871 -9.218 4.936 1.00 43.22 C ATOM 651 O LYS A 44 -2.906 -10.276 4.308 1.00 13.44 O ATOM 652 CB LYS A 44 -0.995 -8.932 6.609 1.00 54.52 C ATOM 653 CG LYS A 44 0.485 -9.335 6.538 1.00 61.12 C ATOM 654 CD LYS A 44 1.469 -8.302 7.090 1.00 51.12 C ATOM 655 CE LYS A 44 1.794 -8.663 8.545 1.00 3.53 C ATOM 656 NZ LYS A 44 2.871 -7.854 9.161 1.00 53.13 N ATOM 0 H LYS A 44 -1.499 -6.561 5.942 1.00 71.31 H new ATOM 0 HA LYS A 44 -0.807 -8.866 4.483 1.00 14.45 H new ATOM 0 HB2 LYS A 44 -1.114 -8.099 7.302 1.00 54.52 H new ATOM 0 HB3 LYS A 44 -1.581 -9.762 7.004 1.00 54.52 H new ATOM 0 HG2 LYS A 44 0.618 -10.268 7.086 1.00 61.12 H new ATOM 0 HG3 LYS A 44 0.740 -9.537 5.498 1.00 61.12 H new ATOM 0 HD2 LYS A 44 2.380 -8.289 6.491 1.00 51.12 H new ATOM 0 HD3 LYS A 44 1.038 -7.302 7.036 1.00 51.12 H new ATOM 0 HE2 LYS A 44 0.889 -8.553 9.143 1.00 3.53 H new ATOM 0 HE3 LYS A 44 2.079 -9.714 8.589 1.00 3.53 H new ATOM 0 HZ1 LYS A 44 3.245 -8.351 9.995 1.00 53.13 H new ATOM 0 HZ2 LYS A 44 3.636 -7.712 8.471 1.00 53.13 H new ATOM 0 HZ3 LYS A 44 2.490 -6.931 9.450 1.00 53.13 H new ATOM 670 N GLU A 45 -3.983 -8.661 5.412 1.00 3.41 N ATOM 671 CA GLU A 45 -5.336 -9.162 5.158 1.00 25.32 C ATOM 672 C GLU A 45 -5.831 -8.800 3.737 1.00 25.13 C ATOM 673 O GLU A 45 -6.981 -8.382 3.557 1.00 62.14 O ATOM 674 CB GLU A 45 -6.304 -8.607 6.210 1.00 13.42 C ATOM 675 CG GLU A 45 -5.986 -8.892 7.687 1.00 62.40 C ATOM 676 CD GLU A 45 -7.036 -8.264 8.618 1.00 62.01 C ATOM 677 OE1 GLU A 45 -7.361 -7.066 8.460 1.00 2.54 O ATOM 678 OE2 GLU A 45 -7.606 -8.977 9.484 1.00 53.50 O ATOM 0 H GLU A 45 -3.970 -7.828 6.000 1.00 3.41 H new ATOM 0 HA GLU A 45 -5.304 -10.249 5.226 1.00 25.32 H new ATOM 0 HB2 GLU A 45 -6.358 -7.526 6.080 1.00 13.42 H new ATOM 0 HB3 GLU A 45 -7.296 -9.004 5.997 1.00 13.42 H new ATOM 0 HG2 GLU A 45 -5.949 -9.969 7.852 1.00 62.40 H new ATOM 0 HG3 GLU A 45 -4.999 -8.498 7.931 1.00 62.40 H new ATOM 685 N PHE A 46 -4.985 -8.949 2.717 1.00 1.42 N ATOM 686 CA PHE A 46 -5.414 -9.000 1.327 1.00 24.22 C ATOM 687 C PHE A 46 -4.616 -10.093 0.618 1.00 72.14 C ATOM 688 O PHE A 46 -3.450 -10.326 0.943 1.00 24.43 O ATOM 689 CB PHE A 46 -5.219 -7.651 0.620 1.00 54.41 C ATOM 690 CG PHE A 46 -6.292 -6.604 0.870 1.00 32.32 C ATOM 691 CD1 PHE A 46 -7.615 -6.821 0.435 1.00 61.30 C ATOM 692 CD2 PHE A 46 -5.962 -5.391 1.501 1.00 63.43 C ATOM 693 CE1 PHE A 46 -8.594 -5.825 0.617 1.00 22.32 C ATOM 694 CE2 PHE A 46 -6.938 -4.394 1.675 1.00 31.32 C ATOM 695 CZ PHE A 46 -8.254 -4.605 1.228 1.00 72.42 C ATOM 0 H PHE A 46 -3.976 -9.038 2.838 1.00 1.42 H new ATOM 0 HA PHE A 46 -6.480 -9.224 1.293 1.00 24.22 H new ATOM 0 HB2 PHE A 46 -4.258 -7.238 0.928 1.00 54.41 H new ATOM 0 HB3 PHE A 46 -5.159 -7.832 -0.453 1.00 54.41 H new ATOM 0 HD1 PHE A 46 -7.879 -7.755 -0.040 1.00 61.30 H new ATOM 0 HD2 PHE A 46 -4.955 -5.225 1.853 1.00 63.43 H new ATOM 0 HE1 PHE A 46 -9.608 -5.999 0.287 1.00 22.32 H new ATOM 0 HE2 PHE A 46 -6.676 -3.462 2.154 1.00 31.32 H new ATOM 0 HZ PHE A 46 -9.000 -3.834 1.353 1.00 72.42 H new ATOM 705 N ASN A 47 -5.240 -10.709 -0.388 1.00 51.22 N ATOM 706 CA ASN A 47 -4.603 -11.580 -1.368 1.00 41.50 C ATOM 707 C ASN A 47 -3.690 -10.779 -2.269 1.00 30.42 C ATOM 708 O ASN A 47 -3.875 -9.577 -2.415 1.00 43.52 O ATOM 709 CB ASN A 47 -5.624 -12.280 -2.281 1.00 73.12 C ATOM 710 CG ASN A 47 -6.690 -11.379 -2.894 1.00 34.15 C ATOM 711 OD1 ASN A 47 -7.386 -10.656 -2.183 1.00 31.42 O ATOM 712 ND2 ASN A 47 -6.928 -11.471 -4.192 1.00 52.52 N ATOM 0 H ASN A 47 -6.243 -10.608 -0.545 1.00 51.22 H new ATOM 0 HA ASN A 47 -4.052 -12.325 -0.795 1.00 41.50 H new ATOM 0 HB2 ASN A 47 -5.083 -12.773 -3.089 1.00 73.12 H new ATOM 0 HB3 ASN A 47 -6.122 -13.061 -1.707 1.00 73.12 H new ATOM 0 HD21 ASN A 47 -7.693 -10.940 -4.609 1.00 52.52 H new ATOM 0 HD22 ASN A 47 -6.347 -12.073 -4.776 1.00 52.52 H new ATOM 719 N GLU A 48 -2.810 -11.492 -2.967 1.00 34.22 N ATOM 720 CA GLU A 48 -1.813 -10.999 -3.886 1.00 32.01 C ATOM 721 C GLU A 48 -2.423 -9.992 -4.863 1.00 33.31 C ATOM 722 O GLU A 48 -2.155 -8.794 -4.783 1.00 61.22 O ATOM 723 CB GLU A 48 -1.194 -12.218 -4.599 1.00 63.43 C ATOM 724 CG GLU A 48 0.150 -11.822 -5.184 1.00 25.03 C ATOM 725 CD GLU A 48 0.769 -12.942 -6.028 1.00 31.13 C ATOM 726 OE1 GLU A 48 0.277 -13.158 -7.158 1.00 24.34 O ATOM 727 OE2 GLU A 48 1.756 -13.560 -5.558 1.00 3.13 O ATOM 0 H GLU A 48 -2.782 -12.509 -2.892 1.00 34.22 H new ATOM 0 HA GLU A 48 -1.028 -10.458 -3.357 1.00 32.01 H new ATOM 0 HB2 GLU A 48 -1.070 -13.042 -3.896 1.00 63.43 H new ATOM 0 HB3 GLU A 48 -1.859 -12.570 -5.388 1.00 63.43 H new ATOM 0 HG2 GLU A 48 0.028 -10.931 -5.800 1.00 25.03 H new ATOM 0 HG3 GLU A 48 0.833 -11.559 -4.376 1.00 25.03 H new ATOM 734 N ASP A 49 -3.252 -10.477 -5.791 1.00 72.02 N ATOM 735 CA ASP A 49 -3.775 -9.641 -6.868 1.00 74.12 C ATOM 736 C ASP A 49 -4.784 -8.622 -6.338 1.00 22.03 C ATOM 737 O ASP A 49 -4.977 -7.575 -6.957 1.00 11.21 O ATOM 738 CB ASP A 49 -4.410 -10.506 -7.970 1.00 21.14 C ATOM 739 CG ASP A 49 -4.040 -10.055 -9.387 1.00 62.13 C ATOM 740 OD1 ASP A 49 -2.963 -9.443 -9.594 1.00 63.33 O ATOM 741 OD2 ASP A 49 -4.699 -10.512 -10.343 1.00 52.40 O ATOM 0 H ASP A 49 -3.574 -11.445 -5.816 1.00 72.02 H new ATOM 0 HA ASP A 49 -2.938 -9.092 -7.299 1.00 74.12 H new ATOM 0 HB2 ASP A 49 -4.098 -11.542 -7.833 1.00 21.14 H new ATOM 0 HB3 ASP A 49 -5.494 -10.482 -7.861 1.00 21.14 H new ATOM 746 N GLY A 50 -5.400 -8.910 -5.179 1.00 61.23 N ATOM 747 CA GLY A 50 -6.321 -8.005 -4.517 1.00 22.23 C ATOM 748 C GLY A 50 -5.575 -6.772 -4.027 1.00 63.33 C ATOM 749 O GLY A 50 -5.848 -5.667 -4.493 1.00 70.43 O ATOM 0 H GLY A 50 -5.263 -9.789 -4.680 1.00 61.23 H new ATOM 0 HA2 GLY A 50 -7.114 -7.711 -5.205 1.00 22.23 H new ATOM 0 HA3 GLY A 50 -6.799 -8.509 -3.677 1.00 22.23 H new ATOM 753 N ALA A 51 -4.595 -6.979 -3.139 1.00 12.54 N ATOM 754 CA ALA A 51 -3.663 -5.982 -2.625 1.00 53.32 C ATOM 755 C ALA A 51 -3.054 -5.140 -3.746 1.00 12.54 C ATOM 756 O ALA A 51 -2.929 -3.931 -3.575 1.00 41.52 O ATOM 757 CB ALA A 51 -2.549 -6.681 -1.843 1.00 4.13 C ATOM 0 H ALA A 51 -4.426 -7.902 -2.740 1.00 12.54 H new ATOM 0 HA ALA A 51 -4.218 -5.310 -1.970 1.00 53.32 H new ATOM 0 HB1 ALA A 51 -1.852 -5.936 -1.459 1.00 4.13 H new ATOM 0 HB2 ALA A 51 -2.982 -7.237 -1.011 1.00 4.13 H new ATOM 0 HB3 ALA A 51 -2.018 -7.369 -2.502 1.00 4.13 H new ATOM 763 N LEU A 52 -2.693 -5.751 -4.876 1.00 23.21 N ATOM 764 CA LEU A 52 -2.097 -5.081 -6.029 1.00 52.11 C ATOM 765 C LEU A 52 -2.992 -3.969 -6.554 1.00 21.12 C ATOM 766 O LEU A 52 -2.504 -2.870 -6.802 1.00 45.32 O ATOM 767 CB LEU A 52 -1.856 -6.099 -7.153 1.00 72.11 C ATOM 768 CG LEU A 52 -0.389 -6.427 -7.402 1.00 44.31 C ATOM 769 CD1 LEU A 52 0.436 -5.198 -7.778 1.00 12.41 C ATOM 770 CD2 LEU A 52 0.258 -7.102 -6.199 1.00 41.50 C ATOM 0 H LEU A 52 -2.811 -6.754 -5.016 1.00 23.21 H new ATOM 0 HA LEU A 52 -1.153 -4.642 -5.705 1.00 52.11 H new ATOM 0 HB2 LEU A 52 -2.386 -7.021 -6.912 1.00 72.11 H new ATOM 0 HB3 LEU A 52 -2.291 -5.713 -8.075 1.00 72.11 H new ATOM 0 HG LEU A 52 -0.391 -7.116 -8.246 1.00 44.31 H new ATOM 0 HD11 LEU A 52 1.472 -5.492 -7.943 1.00 12.41 H new ATOM 0 HD12 LEU A 52 0.035 -4.755 -8.690 1.00 12.41 H new ATOM 0 HD13 LEU A 52 0.391 -4.468 -6.970 1.00 12.41 H new ATOM 0 HD21 LEU A 52 1.303 -7.318 -6.421 1.00 41.50 H new ATOM 0 HD22 LEU A 52 0.200 -6.440 -5.335 1.00 41.50 H new ATOM 0 HD23 LEU A 52 -0.265 -8.032 -5.979 1.00 41.50 H new ATOM 782 N ALA A 53 -4.288 -4.237 -6.721 1.00 24.31 N ATOM 783 CA ALA A 53 -5.238 -3.232 -7.178 1.00 24.43 C ATOM 784 C ALA A 53 -5.207 -2.025 -6.241 1.00 51.30 C ATOM 785 O ALA A 53 -5.079 -0.884 -6.681 1.00 73.32 O ATOM 786 CB ALA A 53 -6.640 -3.844 -7.244 1.00 10.13 C ATOM 0 H ALA A 53 -4.703 -5.152 -6.544 1.00 24.31 H new ATOM 0 HA ALA A 53 -4.963 -2.893 -8.177 1.00 24.43 H new ATOM 0 HB1 ALA A 53 -7.350 -3.091 -7.586 1.00 10.13 H new ATOM 0 HB2 ALA A 53 -6.638 -4.683 -7.939 1.00 10.13 H new ATOM 0 HB3 ALA A 53 -6.931 -4.194 -6.254 1.00 10.13 H new ATOM 792 N VAL A 54 -5.223 -2.287 -4.933 1.00 45.40 N ATOM 793 CA VAL A 54 -5.140 -1.255 -3.911 1.00 52.54 C ATOM 794 C VAL A 54 -3.855 -0.419 -4.074 1.00 74.44 C ATOM 795 O VAL A 54 -3.876 0.798 -3.892 1.00 2.51 O ATOM 796 CB VAL A 54 -5.242 -1.887 -2.503 1.00 70.44 C ATOM 797 CG1 VAL A 54 -5.689 -0.851 -1.482 1.00 11.12 C ATOM 798 CG2 VAL A 54 -6.213 -3.072 -2.371 1.00 25.31 C ATOM 0 H VAL A 54 -5.295 -3.232 -4.555 1.00 45.40 H new ATOM 0 HA VAL A 54 -5.982 -0.573 -4.032 1.00 52.54 H new ATOM 0 HB VAL A 54 -4.234 -2.261 -2.323 1.00 70.44 H new ATOM 0 HG11 VAL A 54 -5.755 -1.315 -0.498 1.00 11.12 H new ATOM 0 HG12 VAL A 54 -4.967 -0.035 -1.451 1.00 11.12 H new ATOM 0 HG13 VAL A 54 -6.666 -0.460 -1.765 1.00 11.12 H new ATOM 0 HG21 VAL A 54 -6.205 -3.436 -1.344 1.00 25.31 H new ATOM 0 HG22 VAL A 54 -7.220 -2.748 -2.633 1.00 25.31 H new ATOM 0 HG23 VAL A 54 -5.903 -3.873 -3.042 1.00 25.31 H new ATOM 808 N LEU A 55 -2.732 -1.045 -4.444 1.00 70.22 N ATOM 809 CA LEU A 55 -1.458 -0.352 -4.625 1.00 62.42 C ATOM 810 C LEU A 55 -1.541 0.580 -5.820 1.00 65.31 C ATOM 811 O LEU A 55 -1.089 1.719 -5.733 1.00 11.54 O ATOM 812 CB LEU A 55 -0.278 -1.308 -4.871 1.00 73.40 C ATOM 813 CG LEU A 55 0.084 -2.299 -3.756 1.00 64.03 C ATOM 814 CD1 LEU A 55 1.486 -2.823 -4.066 1.00 64.04 C ATOM 815 CD2 LEU A 55 0.032 -1.682 -2.354 1.00 30.22 C ATOM 0 H LEU A 55 -2.684 -2.048 -4.626 1.00 70.22 H new ATOM 0 HA LEU A 55 -1.278 0.191 -3.697 1.00 62.42 H new ATOM 0 HB2 LEU A 55 -0.494 -1.882 -5.772 1.00 73.40 H new ATOM 0 HB3 LEU A 55 0.604 -0.704 -5.082 1.00 73.40 H new ATOM 0 HG LEU A 55 -0.653 -3.102 -3.740 1.00 64.03 H new ATOM 0 HD11 LEU A 55 1.787 -3.534 -3.297 1.00 64.04 H new ATOM 0 HD12 LEU A 55 1.483 -3.319 -5.037 1.00 64.04 H new ATOM 0 HD13 LEU A 55 2.189 -1.991 -4.086 1.00 64.04 H new ATOM 0 HD21 LEU A 55 0.299 -2.437 -1.614 1.00 30.22 H new ATOM 0 HD22 LEU A 55 0.736 -0.852 -2.295 1.00 30.22 H new ATOM 0 HD23 LEU A 55 -0.976 -1.318 -2.154 1.00 30.22 H new ATOM 827 N GLN A 56 -2.097 0.095 -6.931 1.00 34.42 N ATOM 828 CA GLN A 56 -2.321 0.901 -8.114 1.00 62.24 C ATOM 829 C GLN A 56 -3.162 2.118 -7.734 1.00 30.12 C ATOM 830 O GLN A 56 -2.789 3.239 -8.069 1.00 53.11 O ATOM 831 CB GLN A 56 -2.991 0.046 -9.198 1.00 11.35 C ATOM 832 CG GLN A 56 -3.239 0.820 -10.498 1.00 62.34 C ATOM 833 CD GLN A 56 -4.370 0.165 -11.275 1.00 13.42 C ATOM 834 OE1 GLN A 56 -5.541 0.314 -10.926 1.00 11.53 O ATOM 835 NE2 GLN A 56 -4.070 -0.555 -12.339 1.00 70.00 N ATOM 0 H GLN A 56 -2.403 -0.873 -7.028 1.00 34.42 H new ATOM 0 HA GLN A 56 -1.376 1.260 -8.521 1.00 62.24 H new ATOM 0 HB2 GLN A 56 -2.364 -0.820 -9.410 1.00 11.35 H new ATOM 0 HB3 GLN A 56 -3.940 -0.333 -8.820 1.00 11.35 H new ATOM 0 HG2 GLN A 56 -3.491 1.856 -10.273 1.00 62.34 H new ATOM 0 HG3 GLN A 56 -2.332 0.837 -11.102 1.00 62.34 H new ATOM 0 HE21 GLN A 56 -3.096 -0.671 -12.618 1.00 70.00 H new ATOM 0 HE22 GLN A 56 -4.812 -0.996 -12.883 1.00 70.00 H new ATOM 844 N GLN A 57 -4.278 1.917 -7.029 1.00 71.01 N ATOM 845 CA GLN A 57 -5.193 3.013 -6.722 1.00 10.31 C ATOM 846 C GLN A 57 -4.549 4.053 -5.798 1.00 10.21 C ATOM 847 O GLN A 57 -4.889 5.234 -5.850 1.00 74.31 O ATOM 848 CB GLN A 57 -6.474 2.426 -6.129 1.00 51.14 C ATOM 849 CG GLN A 57 -7.662 3.398 -6.198 1.00 41.23 C ATOM 850 CD GLN A 57 -9.001 2.666 -6.241 1.00 3.53 C ATOM 851 OE1 GLN A 57 -9.521 2.349 -7.311 1.00 13.33 O ATOM 852 NE2 GLN A 57 -9.601 2.382 -5.097 1.00 51.10 N ATOM 0 H GLN A 57 -4.567 1.010 -6.663 1.00 71.01 H new ATOM 0 HA GLN A 57 -5.438 3.549 -7.639 1.00 10.31 H new ATOM 0 HB2 GLN A 57 -6.729 1.510 -6.662 1.00 51.14 H new ATOM 0 HB3 GLN A 57 -6.295 2.151 -5.089 1.00 51.14 H new ATOM 0 HG2 GLN A 57 -7.639 4.060 -5.332 1.00 41.23 H new ATOM 0 HG3 GLN A 57 -7.564 4.027 -7.083 1.00 41.23 H new ATOM 0 HE21 GLN A 57 -9.166 2.647 -4.213 1.00 51.10 H new ATOM 0 HE22 GLN A 57 -10.499 1.898 -5.098 1.00 51.10 H new ATOM 861 N PHE A 58 -3.599 3.622 -4.969 1.00 12.13 N ATOM 862 CA PHE A 58 -2.797 4.506 -4.120 1.00 62.41 C ATOM 863 C PHE A 58 -1.674 5.227 -4.894 1.00 1.24 C ATOM 864 O PHE A 58 -1.354 6.380 -4.596 1.00 22.05 O ATOM 865 CB PHE A 58 -2.223 3.696 -2.953 1.00 4.52 C ATOM 866 CG PHE A 58 -1.453 4.528 -1.945 1.00 4.33 C ATOM 867 CD1 PHE A 58 -2.139 5.367 -1.044 1.00 25.33 C ATOM 868 CD2 PHE A 58 -0.049 4.456 -1.892 1.00 43.42 C ATOM 869 CE1 PHE A 58 -1.429 6.128 -0.098 1.00 43.24 C ATOM 870 CE2 PHE A 58 0.659 5.208 -0.939 1.00 53.34 C ATOM 871 CZ PHE A 58 -0.028 6.043 -0.042 1.00 2.15 C ATOM 0 H PHE A 58 -3.361 2.636 -4.866 1.00 12.13 H new ATOM 0 HA PHE A 58 -3.452 5.291 -3.743 1.00 62.41 H new ATOM 0 HB2 PHE A 58 -3.040 3.187 -2.441 1.00 4.52 H new ATOM 0 HB3 PHE A 58 -1.565 2.923 -3.350 1.00 4.52 H new ATOM 0 HD1 PHE A 58 -3.217 5.426 -1.080 1.00 25.33 H new ATOM 0 HD2 PHE A 58 0.485 3.822 -2.584 1.00 43.42 H new ATOM 0 HE1 PHE A 58 -1.960 6.776 0.584 1.00 43.24 H new ATOM 0 HE2 PHE A 58 1.736 5.144 -0.896 1.00 53.34 H new ATOM 0 HZ PHE A 58 0.520 6.619 0.689 1.00 2.15 H new ATOM 881 N LYS A 59 -1.076 4.590 -5.906 1.00 65.00 N ATOM 882 CA LYS A 59 -0.172 5.263 -6.849 1.00 14.25 C ATOM 883 C LYS A 59 -0.932 6.336 -7.626 1.00 72.00 C ATOM 884 O LYS A 59 -0.383 7.396 -7.913 1.00 24.03 O ATOM 885 CB LYS A 59 0.454 4.244 -7.821 1.00 63.00 C ATOM 886 CG LYS A 59 1.847 3.760 -7.395 1.00 61.03 C ATOM 887 CD LYS A 59 3.013 4.583 -7.964 1.00 65.03 C ATOM 888 CE LYS A 59 3.306 5.896 -7.221 1.00 70.41 C ATOM 889 NZ LYS A 59 4.104 6.783 -8.079 1.00 62.22 N ATOM 0 H LYS A 59 -1.203 3.596 -6.096 1.00 65.00 H new ATOM 0 HA LYS A 59 0.631 5.736 -6.284 1.00 14.25 H new ATOM 0 HB2 LYS A 59 -0.209 3.383 -7.908 1.00 63.00 H new ATOM 0 HB3 LYS A 59 0.523 4.695 -8.811 1.00 63.00 H new ATOM 0 HG2 LYS A 59 1.905 3.776 -6.307 1.00 61.03 H new ATOM 0 HG3 LYS A 59 1.967 2.722 -7.705 1.00 61.03 H new ATOM 0 HD2 LYS A 59 3.912 3.967 -7.951 1.00 65.03 H new ATOM 0 HD3 LYS A 59 2.800 4.814 -9.008 1.00 65.03 H new ATOM 0 HE2 LYS A 59 2.372 6.385 -6.945 1.00 70.41 H new ATOM 0 HE3 LYS A 59 3.843 5.689 -6.295 1.00 70.41 H new ATOM 0 HZ1 LYS A 59 5.073 6.845 -7.708 1.00 62.22 H new ATOM 0 HZ2 LYS A 59 4.127 6.401 -9.046 1.00 62.22 H new ATOM 0 HZ3 LYS A 59 3.677 7.731 -8.091 1.00 62.22 H new ATOM 903 N ASP A 60 -2.178 6.043 -7.971 1.00 74.22 N ATOM 904 CA ASP A 60 -3.089 6.834 -8.775 1.00 52.20 C ATOM 905 C ASP A 60 -3.787 7.877 -7.901 1.00 52.21 C ATOM 906 O ASP A 60 -5.018 7.942 -7.837 1.00 22.25 O ATOM 907 CB ASP A 60 -4.053 5.857 -9.473 1.00 51.14 C ATOM 908 CG ASP A 60 -4.938 6.519 -10.523 1.00 74.41 C ATOM 909 OD1 ASP A 60 -4.451 7.431 -11.227 1.00 52.30 O ATOM 910 OD2 ASP A 60 -6.095 6.064 -10.700 1.00 25.32 O ATOM 0 H ASP A 60 -2.611 5.171 -7.668 1.00 74.22 H new ATOM 0 HA ASP A 60 -2.569 7.404 -9.545 1.00 52.20 H new ATOM 0 HB2 ASP A 60 -3.474 5.064 -9.946 1.00 51.14 H new ATOM 0 HB3 ASP A 60 -4.686 5.385 -8.722 1.00 51.14 H new ATOM 915 N SER A 61 -3.005 8.665 -7.160 1.00 61.32 N ATOM 916 CA SER A 61 -3.474 9.827 -6.418 1.00 23.03 C ATOM 917 C SER A 61 -2.365 10.869 -6.302 1.00 71.30 C ATOM 918 O SER A 61 -1.190 10.617 -6.593 1.00 70.03 O ATOM 919 CB SER A 61 -3.971 9.441 -5.021 1.00 5.35 C ATOM 920 OG SER A 61 -4.513 8.133 -4.964 1.00 13.41 O ATOM 0 H SER A 61 -2.003 8.505 -7.060 1.00 61.32 H new ATOM 0 HA SER A 61 -4.312 10.252 -6.971 1.00 23.03 H new ATOM 0 HB2 SER A 61 -3.144 9.516 -4.315 1.00 5.35 H new ATOM 0 HB3 SER A 61 -4.729 10.156 -4.702 1.00 5.35 H new ATOM 0 HG SER A 61 -4.370 7.759 -4.070 1.00 13.41 H new ATOM 926 N ASP A 62 -2.747 12.040 -5.808 1.00 41.11 N ATOM 927 CA ASP A 62 -1.955 13.249 -5.793 1.00 13.41 C ATOM 928 C ASP A 62 -1.529 13.515 -4.356 1.00 52.53 C ATOM 929 O ASP A 62 -2.088 14.359 -3.648 1.00 73.21 O ATOM 930 CB ASP A 62 -2.777 14.396 -6.390 1.00 24.04 C ATOM 931 CG ASP A 62 -2.620 14.468 -7.899 1.00 54.12 C ATOM 932 OD1 ASP A 62 -1.491 14.752 -8.370 1.00 33.11 O ATOM 933 OD2 ASP A 62 -3.634 14.409 -8.628 1.00 44.22 O ATOM 0 H ASP A 62 -3.667 12.172 -5.387 1.00 41.11 H new ATOM 0 HA ASP A 62 -1.056 13.152 -6.401 1.00 13.41 H new ATOM 0 HB2 ASP A 62 -3.829 14.260 -6.139 1.00 24.04 H new ATOM 0 HB3 ASP A 62 -2.463 15.340 -5.945 1.00 24.04 H new ATOM 938 N LEU A 63 -0.524 12.770 -3.897 1.00 72.44 N ATOM 939 CA LEU A 63 -0.013 12.797 -2.527 1.00 72.41 C ATOM 940 C LEU A 63 0.870 14.031 -2.294 1.00 71.33 C ATOM 941 O LEU A 63 1.975 13.931 -1.757 1.00 23.42 O ATOM 942 CB LEU A 63 0.741 11.489 -2.228 1.00 22.12 C ATOM 943 CG LEU A 63 -0.138 10.225 -2.286 1.00 74.41 C ATOM 944 CD1 LEU A 63 0.766 9.004 -2.127 1.00 44.30 C ATOM 945 CD2 LEU A 63 -1.204 10.216 -1.181 1.00 63.40 C ATOM 0 H LEU A 63 -0.025 12.107 -4.491 1.00 72.44 H new ATOM 0 HA LEU A 63 -0.852 12.873 -1.835 1.00 72.41 H new ATOM 0 HB2 LEU A 63 1.558 11.383 -2.942 1.00 22.12 H new ATOM 0 HB3 LEU A 63 1.190 11.560 -1.237 1.00 22.12 H new ATOM 0 HG LEU A 63 -0.658 10.208 -3.244 1.00 74.41 H new ATOM 0 HD11 LEU A 63 0.163 8.097 -2.165 1.00 44.30 H new ATOM 0 HD12 LEU A 63 1.499 8.986 -2.934 1.00 44.30 H new ATOM 0 HD13 LEU A 63 1.282 9.056 -1.169 1.00 44.30 H new ATOM 0 HD21 LEU A 63 -1.801 9.307 -1.259 1.00 63.40 H new ATOM 0 HD22 LEU A 63 -0.718 10.248 -0.206 1.00 63.40 H new ATOM 0 HD23 LEU A 63 -1.851 11.086 -1.293 1.00 63.40 H new ATOM 957 N SER A 64 0.368 15.205 -2.671 1.00 72.22 N ATOM 958 CA SER A 64 1.055 16.489 -2.626 1.00 64.12 C ATOM 959 C SER A 64 0.457 17.431 -1.569 1.00 2.52 C ATOM 960 O SER A 64 1.187 18.289 -1.069 1.00 1.23 O ATOM 961 CB SER A 64 1.037 17.092 -4.035 1.00 65.14 C ATOM 962 OG SER A 64 1.920 18.190 -4.156 1.00 1.55 O ATOM 0 H SER A 64 -0.581 15.288 -3.036 1.00 72.22 H new ATOM 0 HA SER A 64 2.089 16.341 -2.315 1.00 64.12 H new ATOM 0 HB2 SER A 64 1.311 16.326 -4.760 1.00 65.14 H new ATOM 0 HB3 SER A 64 0.024 17.413 -4.278 1.00 65.14 H new ATOM 0 HG SER A 64 1.879 18.544 -5.069 1.00 1.55 H new ATOM 968 N HIS A 65 -0.797 17.226 -1.141 1.00 45.32 N ATOM 969 CA HIS A 65 -1.447 18.008 -0.078 1.00 12.11 C ATOM 970 C HIS A 65 -2.105 17.101 0.977 1.00 51.53 C ATOM 971 O HIS A 65 -2.970 17.538 1.741 1.00 64.10 O ATOM 972 CB HIS A 65 -2.471 18.981 -0.692 1.00 24.33 C ATOM 973 CG HIS A 65 -1.948 19.781 -1.859 1.00 71.34 C ATOM 974 ND1 HIS A 65 -2.434 19.734 -3.146 1.00 2.22 N ATOM 975 CD2 HIS A 65 -0.889 20.648 -1.846 1.00 22.42 C ATOM 976 CE1 HIS A 65 -1.686 20.560 -3.893 1.00 24.33 C ATOM 977 NE2 HIS A 65 -0.724 21.131 -3.149 1.00 3.12 N ATOM 0 H HIS A 65 -1.399 16.500 -1.530 1.00 45.32 H new ATOM 0 HA HIS A 65 -0.679 18.586 0.436 1.00 12.11 H new ATOM 0 HB2 HIS A 65 -3.343 18.414 -1.018 1.00 24.33 H new ATOM 0 HB3 HIS A 65 -2.809 19.669 0.082 1.00 24.33 H new ATOM 0 HD2 HIS A 65 -0.290 20.911 -0.987 1.00 22.42 H new ATOM 0 HE1 HIS A 65 -1.836 20.741 -4.947 1.00 24.33 H new ATOM 0 HE2 HIS A 65 -0.013 21.788 -3.471 1.00 3.12 H new ATOM 985 N VAL A 66 -1.737 15.822 1.006 1.00 63.41 N ATOM 986 CA VAL A 66 -2.284 14.828 1.911 1.00 25.03 C ATOM 987 C VAL A 66 -1.416 14.822 3.170 1.00 41.22 C ATOM 988 O VAL A 66 -0.308 14.277 3.172 1.00 13.51 O ATOM 989 CB VAL A 66 -2.345 13.461 1.201 1.00 11.15 C ATOM 990 CG1 VAL A 66 -2.811 12.360 2.163 1.00 61.02 C ATOM 991 CG2 VAL A 66 -3.307 13.514 0.002 1.00 54.51 C ATOM 0 H VAL A 66 -1.028 15.443 0.379 1.00 63.41 H new ATOM 0 HA VAL A 66 -3.307 15.061 2.206 1.00 25.03 H new ATOM 0 HB VAL A 66 -1.338 13.230 0.852 1.00 11.15 H new ATOM 0 HG11 VAL A 66 -2.845 11.407 1.636 1.00 61.02 H new ATOM 0 HG12 VAL A 66 -2.115 12.288 2.998 1.00 61.02 H new ATOM 0 HG13 VAL A 66 -3.805 12.602 2.539 1.00 61.02 H new ATOM 0 HG21 VAL A 66 -3.335 12.539 -0.485 1.00 54.51 H new ATOM 0 HG22 VAL A 66 -4.307 13.776 0.349 1.00 54.51 H new ATOM 0 HG23 VAL A 66 -2.962 14.265 -0.709 1.00 54.51 H new ATOM 1001 N GLN A 67 -1.929 15.403 4.256 1.00 43.52 N ATOM 1002 CA GLN A 67 -1.256 15.383 5.552 1.00 34.03 C ATOM 1003 C GLN A 67 -0.996 13.963 6.061 1.00 21.15 C ATOM 1004 O GLN A 67 0.013 13.728 6.719 1.00 21.13 O ATOM 1005 CB GLN A 67 -2.028 16.197 6.613 1.00 13.31 C ATOM 1006 CG GLN A 67 -3.454 15.722 6.969 1.00 45.34 C ATOM 1007 CD GLN A 67 -4.420 15.904 5.804 1.00 65.23 C ATOM 1008 OE1 GLN A 67 -4.635 17.024 5.353 1.00 32.32 O ATOM 1009 NE2 GLN A 67 -4.973 14.835 5.257 1.00 13.25 N ATOM 0 H GLN A 67 -2.820 15.899 4.260 1.00 43.52 H new ATOM 0 HA GLN A 67 -0.288 15.857 5.390 1.00 34.03 H new ATOM 0 HB2 GLN A 67 -1.436 16.205 7.529 1.00 13.31 H new ATOM 0 HB3 GLN A 67 -2.092 17.228 6.266 1.00 13.31 H new ATOM 0 HG2 GLN A 67 -3.426 14.671 7.256 1.00 45.34 H new ATOM 0 HG3 GLN A 67 -3.817 16.279 7.833 1.00 45.34 H new ATOM 0 HE21 GLN A 67 -4.785 13.910 5.643 1.00 13.25 H new ATOM 0 HE22 GLN A 67 -5.588 14.936 4.449 1.00 13.25 H new ATOM 1018 N ASN A 68 -1.902 13.017 5.799 1.00 11.43 N ATOM 1019 CA ASN A 68 -1.875 11.686 6.393 1.00 30.02 C ATOM 1020 C ASN A 68 -1.985 10.602 5.334 1.00 32.42 C ATOM 1021 O ASN A 68 -3.035 9.989 5.134 1.00 42.30 O ATOM 1022 CB ASN A 68 -2.807 11.530 7.566 1.00 34.35 C ATOM 1023 CG ASN A 68 -4.240 11.826 7.273 1.00 42.12 C ATOM 1024 OD1 ASN A 68 -4.692 12.152 6.178 1.00 14.42 O ATOM 1025 ND2 ASN A 68 -5.007 11.760 8.315 1.00 30.05 N ATOM 0 H ASN A 68 -2.683 13.160 5.159 1.00 11.43 H new ATOM 0 HA ASN A 68 -0.892 11.553 6.844 1.00 30.02 H new ATOM 0 HB2 ASN A 68 -2.731 10.509 7.939 1.00 34.35 H new ATOM 0 HB3 ASN A 68 -2.472 12.188 8.368 1.00 34.35 H new ATOM 0 HD21 ASN A 68 -6.000 11.980 8.232 1.00 30.05 H new ATOM 0 HD22 ASN A 68 -4.618 11.488 9.218 1.00 30.05 H new ATOM 1032 N LYS A 69 -0.853 10.347 4.674 1.00 1.14 N ATOM 1033 CA LYS A 69 -0.678 9.311 3.653 1.00 41.14 C ATOM 1034 C LYS A 69 -1.242 7.978 4.143 1.00 71.41 C ATOM 1035 O LYS A 69 -1.904 7.252 3.408 1.00 43.43 O ATOM 1036 CB LYS A 69 0.821 9.128 3.348 1.00 65.42 C ATOM 1037 CG LYS A 69 1.681 10.398 3.270 1.00 50.43 C ATOM 1038 CD LYS A 69 1.462 11.276 2.037 1.00 63.02 C ATOM 1039 CE LYS A 69 2.736 12.124 1.904 1.00 63.00 C ATOM 1040 NZ LYS A 69 2.701 13.120 0.821 1.00 72.41 N ATOM 0 H LYS A 69 0.001 10.878 4.843 1.00 1.14 H new ATOM 0 HA LYS A 69 -1.209 9.623 2.754 1.00 41.14 H new ATOM 0 HB2 LYS A 69 1.245 8.479 4.114 1.00 65.42 H new ATOM 0 HB3 LYS A 69 0.911 8.600 2.398 1.00 65.42 H new ATOM 0 HG2 LYS A 69 1.489 10.999 4.159 1.00 50.43 H new ATOM 0 HG3 LYS A 69 2.731 10.106 3.303 1.00 50.43 H new ATOM 0 HD2 LYS A 69 1.300 10.668 1.147 1.00 63.02 H new ATOM 0 HD3 LYS A 69 0.581 11.907 2.156 1.00 63.02 H new ATOM 0 HE2 LYS A 69 2.913 12.640 2.848 1.00 63.00 H new ATOM 0 HE3 LYS A 69 3.584 11.459 1.740 1.00 63.00 H new ATOM 0 HZ1 LYS A 69 3.562 13.702 0.857 1.00 72.41 H new ATOM 0 HZ2 LYS A 69 2.650 12.633 -0.097 1.00 72.41 H new ATOM 0 HZ3 LYS A 69 1.866 13.729 0.937 1.00 72.41 H new ATOM 1054 N SER A 70 -0.997 7.691 5.412 1.00 34.35 N ATOM 1055 CA SER A 70 -1.442 6.546 6.178 1.00 72.23 C ATOM 1056 C SER A 70 -2.958 6.407 6.138 1.00 64.14 C ATOM 1057 O SER A 70 -3.477 5.393 5.679 1.00 43.13 O ATOM 1058 CB SER A 70 -0.946 6.736 7.610 1.00 43.10 C ATOM 1059 OG SER A 70 -1.189 8.062 8.058 1.00 10.35 O ATOM 0 H SER A 70 -0.427 8.316 5.982 1.00 34.35 H new ATOM 0 HA SER A 70 -1.037 5.628 5.752 1.00 72.23 H new ATOM 0 HB2 SER A 70 -1.447 6.027 8.270 1.00 43.10 H new ATOM 0 HB3 SER A 70 0.121 6.520 7.661 1.00 43.10 H new ATOM 0 HG SER A 70 -0.865 8.161 8.978 1.00 10.35 H new ATOM 1065 N ALA A 71 -3.680 7.412 6.634 1.00 52.21 N ATOM 1066 CA ALA A 71 -5.130 7.376 6.700 1.00 10.41 C ATOM 1067 C ALA A 71 -5.748 7.363 5.304 1.00 2.32 C ATOM 1068 O ALA A 71 -6.815 6.772 5.126 1.00 72.10 O ATOM 1069 CB ALA A 71 -5.653 8.558 7.515 1.00 41.14 C ATOM 0 H ALA A 71 -3.270 8.271 7.000 1.00 52.21 H new ATOM 0 HA ALA A 71 -5.424 6.452 7.199 1.00 10.41 H new ATOM 0 HB1 ALA A 71 -6.742 8.518 7.556 1.00 41.14 H new ATOM 0 HB2 ALA A 71 -5.250 8.509 8.526 1.00 41.14 H new ATOM 0 HB3 ALA A 71 -5.341 9.491 7.045 1.00 41.14 H new ATOM 1075 N PHE A 72 -5.071 7.971 4.326 1.00 64.23 N ATOM 1076 CA PHE A 72 -5.471 7.925 2.925 1.00 10.32 C ATOM 1077 C PHE A 72 -5.408 6.467 2.449 1.00 51.41 C ATOM 1078 O PHE A 72 -6.408 5.910 1.995 1.00 41.40 O ATOM 1079 CB PHE A 72 -4.577 8.879 2.114 1.00 71.13 C ATOM 1080 CG PHE A 72 -5.139 9.320 0.776 1.00 72.12 C ATOM 1081 CD1 PHE A 72 -5.108 8.451 -0.330 1.00 45.24 C ATOM 1082 CD2 PHE A 72 -5.643 10.627 0.617 1.00 71.22 C ATOM 1083 CE1 PHE A 72 -5.582 8.885 -1.580 1.00 32.25 C ATOM 1084 CE2 PHE A 72 -6.093 11.067 -0.641 1.00 2.31 C ATOM 1085 CZ PHE A 72 -6.068 10.191 -1.742 1.00 3.55 C ATOM 0 H PHE A 72 -4.223 8.513 4.490 1.00 64.23 H new ATOM 0 HA PHE A 72 -6.497 8.266 2.783 1.00 10.32 H new ATOM 0 HB2 PHE A 72 -4.381 9.766 2.717 1.00 71.13 H new ATOM 0 HB3 PHE A 72 -3.617 8.392 1.943 1.00 71.13 H new ATOM 0 HD1 PHE A 72 -4.720 7.449 -0.218 1.00 45.24 H new ATOM 0 HD2 PHE A 72 -5.684 11.294 1.466 1.00 71.22 H new ATOM 0 HE1 PHE A 72 -5.572 8.208 -2.422 1.00 32.25 H new ATOM 0 HE2 PHE A 72 -6.457 12.076 -0.762 1.00 2.31 H new ATOM 0 HZ PHE A 72 -6.421 10.523 -2.707 1.00 3.55 H new ATOM 1095 N LEU A 73 -4.266 5.803 2.663 1.00 3.31 N ATOM 1096 CA LEU A 73 -4.029 4.404 2.309 1.00 74.13 C ATOM 1097 C LEU A 73 -5.078 3.514 2.979 1.00 61.34 C ATOM 1098 O LEU A 73 -5.683 2.652 2.341 1.00 53.21 O ATOM 1099 CB LEU A 73 -2.600 3.989 2.731 1.00 32.04 C ATOM 1100 CG LEU A 73 -2.206 2.599 2.189 1.00 64.34 C ATOM 1101 CD1 LEU A 73 -1.859 2.632 0.702 1.00 11.22 C ATOM 1102 CD2 LEU A 73 -0.978 2.019 2.891 1.00 62.33 C ATOM 0 H LEU A 73 -3.457 6.242 3.102 1.00 3.31 H new ATOM 0 HA LEU A 73 -4.115 4.283 1.229 1.00 74.13 H new ATOM 0 HB2 LEU A 73 -1.888 4.731 2.371 1.00 32.04 H new ATOM 0 HB3 LEU A 73 -2.533 3.984 3.819 1.00 32.04 H new ATOM 0 HG LEU A 73 -3.086 1.983 2.374 1.00 64.34 H new ATOM 0 HD11 LEU A 73 -1.589 1.630 0.369 1.00 11.22 H new ATOM 0 HD12 LEU A 73 -2.721 2.982 0.135 1.00 11.22 H new ATOM 0 HD13 LEU A 73 -1.019 3.307 0.539 1.00 11.22 H new ATOM 0 HD21 LEU A 73 -0.746 1.041 2.470 1.00 62.33 H new ATOM 0 HD22 LEU A 73 -0.128 2.686 2.748 1.00 62.33 H new ATOM 0 HD23 LEU A 73 -1.183 1.916 3.957 1.00 62.33 H new ATOM 1114 N CYS A 74 -5.308 3.734 4.271 1.00 12.21 N ATOM 1115 CA CYS A 74 -6.287 2.998 5.062 1.00 70.43 C ATOM 1116 C CYS A 74 -7.719 3.194 4.531 1.00 72.42 C ATOM 1117 O CYS A 74 -8.569 2.319 4.713 1.00 10.13 O ATOM 1118 CB CYS A 74 -6.182 3.437 6.533 1.00 52.22 C ATOM 1119 SG CYS A 74 -6.022 1.995 7.620 1.00 45.53 S ATOM 0 H CYS A 74 -4.808 4.444 4.807 1.00 12.21 H new ATOM 0 HA CYS A 74 -6.066 1.934 4.982 1.00 70.43 H new ATOM 0 HB2 CYS A 74 -5.321 4.093 6.662 1.00 52.22 H new ATOM 0 HB3 CYS A 74 -7.066 4.012 6.810 1.00 52.22 H new ATOM 0 HG CYS A 74 -7.112 1.851 8.313 1.00 45.53 H new ATOM 1125 N GLY A 75 -7.997 4.325 3.877 1.00 44.13 N ATOM 1126 CA GLY A 75 -9.276 4.641 3.258 1.00 71.12 C ATOM 1127 C GLY A 75 -9.454 3.806 2.000 1.00 71.14 C ATOM 1128 O GLY A 75 -10.425 3.053 1.889 1.00 33.01 O ATOM 0 H GLY A 75 -7.309 5.069 3.763 1.00 44.13 H new ATOM 0 HA2 GLY A 75 -10.089 4.442 3.957 1.00 71.12 H new ATOM 0 HA3 GLY A 75 -9.320 5.702 3.012 1.00 71.12 H new ATOM 1132 N VAL A 76 -8.484 3.884 1.083 1.00 12.14 N ATOM 1133 CA VAL A 76 -8.471 3.111 -0.155 1.00 64.33 C ATOM 1134 C VAL A 76 -8.664 1.620 0.167 1.00 53.21 C ATOM 1135 O VAL A 76 -9.556 0.987 -0.397 1.00 62.12 O ATOM 1136 CB VAL A 76 -7.185 3.414 -0.958 1.00 74.14 C ATOM 1137 CG1 VAL A 76 -7.103 2.581 -2.245 1.00 43.21 C ATOM 1138 CG2 VAL A 76 -7.095 4.892 -1.358 1.00 50.32 C ATOM 0 H VAL A 76 -7.675 4.497 1.185 1.00 12.14 H new ATOM 0 HA VAL A 76 -9.303 3.402 -0.797 1.00 64.33 H new ATOM 0 HB VAL A 76 -6.360 3.156 -0.294 1.00 74.14 H new ATOM 0 HG11 VAL A 76 -6.184 2.825 -2.779 1.00 43.21 H new ATOM 0 HG12 VAL A 76 -7.105 1.521 -1.993 1.00 43.21 H new ATOM 0 HG13 VAL A 76 -7.961 2.805 -2.879 1.00 43.21 H new ATOM 0 HG21 VAL A 76 -6.177 5.061 -1.920 1.00 50.32 H new ATOM 0 HG22 VAL A 76 -7.953 5.154 -1.977 1.00 50.32 H new ATOM 0 HG23 VAL A 76 -7.091 5.512 -0.461 1.00 50.32 H new ATOM 1148 N MET A 77 -7.926 1.057 1.134 1.00 63.02 N ATOM 1149 CA MET A 77 -8.118 -0.332 1.573 1.00 13.13 C ATOM 1150 C MET A 77 -9.582 -0.616 1.880 1.00 24.31 C ATOM 1151 O MET A 77 -10.141 -1.595 1.386 1.00 13.25 O ATOM 1152 CB MET A 77 -7.350 -0.629 2.863 1.00 41.51 C ATOM 1153 CG MET A 77 -5.845 -0.666 2.689 1.00 62.13 C ATOM 1154 SD MET A 77 -5.001 -0.433 4.265 1.00 54.11 S ATOM 1155 CE MET A 77 -3.351 -0.784 3.677 1.00 45.24 C ATOM 0 H MET A 77 -7.183 1.548 1.631 1.00 63.02 H new ATOM 0 HA MET A 77 -7.756 -0.953 0.753 1.00 13.13 H new ATOM 0 HB2 MET A 77 -7.601 0.128 3.606 1.00 41.51 H new ATOM 0 HB3 MET A 77 -7.683 -1.588 3.260 1.00 41.51 H new ATOM 0 HG2 MET A 77 -5.550 -1.620 2.253 1.00 62.13 H new ATOM 0 HG3 MET A 77 -5.538 0.112 1.990 1.00 62.13 H new ATOM 0 HE1 MET A 77 -2.624 -0.478 4.429 1.00 45.24 H new ATOM 0 HE2 MET A 77 -3.251 -1.853 3.490 1.00 45.24 H new ATOM 0 HE3 MET A 77 -3.170 -0.236 2.753 1.00 45.24 H new ATOM 1165 N LYS A 78 -10.192 0.222 2.718 1.00 21.35 N ATOM 1166 CA LYS A 78 -11.518 -0.028 3.234 1.00 61.21 C ATOM 1167 C LYS A 78 -12.547 -0.066 2.112 1.00 33.03 C ATOM 1168 O LYS A 78 -13.432 -0.912 2.171 1.00 32.35 O ATOM 1169 CB LYS A 78 -11.820 1.008 4.319 1.00 42.23 C ATOM 1170 CG LYS A 78 -13.129 0.694 5.049 1.00 42.10 C ATOM 1171 CD LYS A 78 -14.322 1.517 4.536 1.00 41.23 C ATOM 1172 CE LYS A 78 -14.808 2.476 5.624 1.00 53.54 C ATOM 1173 NZ LYS A 78 -15.404 1.751 6.765 1.00 3.32 N ATOM 0 H LYS A 78 -9.773 1.090 3.052 1.00 21.35 H new ATOM 0 HA LYS A 78 -11.572 -1.015 3.694 1.00 61.21 H new ATOM 0 HB2 LYS A 78 -11.000 1.034 5.036 1.00 42.23 H new ATOM 0 HB3 LYS A 78 -11.882 1.999 3.870 1.00 42.23 H new ATOM 0 HG2 LYS A 78 -13.354 -0.367 4.938 1.00 42.10 H new ATOM 0 HG3 LYS A 78 -12.997 0.883 6.114 1.00 42.10 H new ATOM 0 HD2 LYS A 78 -14.031 2.079 3.649 1.00 41.23 H new ATOM 0 HD3 LYS A 78 -15.132 0.851 4.240 1.00 41.23 H new ATOM 0 HE2 LYS A 78 -13.973 3.082 5.974 1.00 53.54 H new ATOM 0 HE3 LYS A 78 -15.544 3.161 5.203 1.00 53.54 H new ATOM 0 HZ1 LYS A 78 -16.051 2.383 7.278 1.00 3.32 H new ATOM 0 HZ2 LYS A 78 -15.931 0.926 6.415 1.00 3.32 H new ATOM 0 HZ3 LYS A 78 -14.650 1.433 7.407 1.00 3.32 H new ATOM 1187 N THR A 79 -12.446 0.784 1.084 1.00 4.45 N ATOM 1188 CA THR A 79 -13.405 0.723 -0.013 1.00 74.32 C ATOM 1189 C THR A 79 -13.242 -0.577 -0.823 1.00 45.53 C ATOM 1190 O THR A 79 -14.236 -1.082 -1.336 1.00 21.32 O ATOM 1191 CB THR A 79 -13.418 2.031 -0.833 1.00 22.15 C ATOM 1192 OG1 THR A 79 -14.632 2.170 -1.547 1.00 41.20 O ATOM 1193 CG2 THR A 79 -12.263 2.232 -1.812 1.00 13.34 C ATOM 0 H THR A 79 -11.728 1.503 0.993 1.00 4.45 H new ATOM 0 HA THR A 79 -14.414 0.663 0.394 1.00 74.32 H new ATOM 0 HB THR A 79 -13.302 2.799 -0.069 1.00 22.15 H new ATOM 0 HG1 THR A 79 -14.617 3.006 -2.057 1.00 41.20 H new ATOM 0 HG21 THR A 79 -12.384 3.185 -2.327 1.00 13.34 H new ATOM 0 HG22 THR A 79 -11.319 2.232 -1.266 1.00 13.34 H new ATOM 0 HG23 THR A 79 -12.260 1.423 -2.542 1.00 13.34 H new ATOM 1201 N TYR A 80 -12.051 -1.190 -0.897 1.00 23.21 N ATOM 1202 CA TYR A 80 -11.907 -2.539 -1.460 1.00 14.13 C ATOM 1203 C TYR A 80 -12.506 -3.586 -0.513 1.00 21.02 C ATOM 1204 O TYR A 80 -13.285 -4.438 -0.941 1.00 52.32 O ATOM 1205 CB TYR A 80 -10.448 -2.887 -1.793 1.00 33.34 C ATOM 1206 CG TYR A 80 -9.918 -2.253 -3.063 1.00 53.13 C ATOM 1207 CD1 TYR A 80 -10.089 -2.869 -4.319 1.00 74.31 C ATOM 1208 CD2 TYR A 80 -9.185 -1.062 -2.974 1.00 72.33 C ATOM 1209 CE1 TYR A 80 -9.506 -2.307 -5.471 1.00 62.04 C ATOM 1210 CE2 TYR A 80 -8.595 -0.502 -4.112 1.00 53.34 C ATOM 1211 CZ TYR A 80 -8.733 -1.127 -5.366 1.00 61.21 C ATOM 1212 OH TYR A 80 -8.138 -0.544 -6.436 1.00 64.10 O ATOM 0 H TYR A 80 -11.177 -0.774 -0.575 1.00 23.21 H new ATOM 0 HA TYR A 80 -12.459 -2.550 -2.400 1.00 14.13 H new ATOM 0 HB2 TYR A 80 -9.817 -2.580 -0.959 1.00 33.34 H new ATOM 0 HB3 TYR A 80 -10.358 -3.970 -1.879 1.00 33.34 H new ATOM 0 HD1 TYR A 80 -10.670 -3.776 -4.398 1.00 74.31 H new ATOM 0 HD2 TYR A 80 -9.075 -0.572 -2.018 1.00 72.33 H new ATOM 0 HE1 TYR A 80 -9.649 -2.776 -6.433 1.00 62.04 H new ATOM 0 HE2 TYR A 80 -8.030 0.415 -4.028 1.00 53.34 H new ATOM 0 HH TYR A 80 -8.800 -0.018 -6.932 1.00 64.10 H new ATOM 1222 N ARG A 81 -12.216 -3.527 0.795 1.00 3.24 N ATOM 1223 CA ARG A 81 -12.734 -4.470 1.811 1.00 51.51 C ATOM 1224 C ARG A 81 -14.227 -4.256 2.128 1.00 62.12 C ATOM 1225 O ARG A 81 -14.709 -4.595 3.214 1.00 4.33 O ATOM 1226 CB ARG A 81 -11.836 -4.456 3.076 1.00 62.43 C ATOM 1227 CG ARG A 81 -11.683 -5.854 3.723 1.00 34.24 C ATOM 1228 CD ARG A 81 -12.487 -6.100 5.014 1.00 65.13 C ATOM 1229 NE ARG A 81 -11.741 -5.725 6.233 1.00 52.12 N ATOM 1230 CZ ARG A 81 -11.790 -6.378 7.410 1.00 24.45 C ATOM 1231 NH1 ARG A 81 -12.582 -7.430 7.592 1.00 73.13 N ATOM 1232 NH2 ARG A 81 -11.034 -5.987 8.427 1.00 22.14 N ATOM 0 H ARG A 81 -11.605 -2.812 1.189 1.00 3.24 H new ATOM 0 HA ARG A 81 -12.683 -5.472 1.384 1.00 51.51 H new ATOM 0 HB2 ARG A 81 -10.850 -4.074 2.811 1.00 62.43 H new ATOM 0 HB3 ARG A 81 -12.259 -3.767 3.807 1.00 62.43 H new ATOM 0 HG2 ARG A 81 -11.976 -6.605 2.989 1.00 34.24 H new ATOM 0 HG3 ARG A 81 -10.627 -6.017 3.941 1.00 34.24 H new ATOM 0 HD2 ARG A 81 -13.416 -5.531 4.972 1.00 65.13 H new ATOM 0 HD3 ARG A 81 -12.761 -7.153 5.071 1.00 65.13 H new ATOM 0 HE ARG A 81 -11.139 -4.903 6.179 1.00 52.12 H new ATOM 0 HH11 ARG A 81 -13.173 -7.762 6.829 1.00 73.13 H new ATOM 0 HH12 ARG A 81 -12.599 -7.906 8.494 1.00 73.13 H new ATOM 0 HH21 ARG A 81 -10.410 -5.187 8.321 1.00 22.14 H new ATOM 0 HH22 ARG A 81 -11.076 -6.486 9.315 1.00 22.14 H new ATOM 1246 N GLN A 82 -14.966 -3.682 1.183 1.00 11.52 N ATOM 1247 CA GLN A 82 -16.411 -3.481 1.199 1.00 73.31 C ATOM 1248 C GLN A 82 -17.060 -3.906 -0.128 1.00 63.14 C ATOM 1249 O GLN A 82 -18.178 -3.466 -0.419 1.00 52.53 O ATOM 1250 CB GLN A 82 -16.705 -2.000 1.533 1.00 54.14 C ATOM 1251 CG GLN A 82 -17.311 -1.827 2.932 1.00 24.35 C ATOM 1252 CD GLN A 82 -18.787 -2.214 3.081 1.00 43.43 C ATOM 1253 OE1 GLN A 82 -19.351 -2.017 4.152 1.00 14.44 O ATOM 1254 NE2 GLN A 82 -19.451 -2.736 2.059 1.00 70.03 N ATOM 0 H GLN A 82 -14.542 -3.321 0.328 1.00 11.52 H new ATOM 0 HA GLN A 82 -16.852 -4.115 1.968 1.00 73.31 H new ATOM 0 HB2 GLN A 82 -15.782 -1.425 1.466 1.00 54.14 H new ATOM 0 HB3 GLN A 82 -17.390 -1.591 0.790 1.00 54.14 H new ATOM 0 HG2 GLN A 82 -16.728 -2.422 3.634 1.00 24.35 H new ATOM 0 HG3 GLN A 82 -17.198 -0.784 3.228 1.00 24.35 H new ATOM 0 HE21 GLN A 82 -18.976 -2.897 1.171 1.00 70.03 H new ATOM 0 HE22 GLN A 82 -20.437 -2.976 2.161 1.00 70.03 H new ATOM 1263 N ARG A 83 -16.360 -4.662 -0.982 1.00 71.21 N ATOM 1264 CA ARG A 83 -16.820 -4.999 -2.334 1.00 13.15 C ATOM 1265 C ARG A 83 -16.611 -6.479 -2.634 1.00 41.34 C ATOM 1266 O ARG A 83 -16.204 -6.845 -3.736 1.00 33.22 O ATOM 1267 CB ARG A 83 -16.135 -4.086 -3.360 1.00 31.33 C ATOM 1268 CG ARG A 83 -16.577 -2.636 -3.154 1.00 74.01 C ATOM 1269 CD ARG A 83 -16.023 -1.721 -4.240 1.00 11.54 C ATOM 1270 NE ARG A 83 -16.657 -2.001 -5.537 1.00 30.02 N ATOM 1271 CZ ARG A 83 -17.865 -1.596 -5.947 1.00 25.24 C ATOM 1272 NH1 ARG A 83 -18.589 -0.752 -5.221 1.00 33.32 N ATOM 1273 NH2 ARG A 83 -18.338 -2.041 -7.102 1.00 34.01 N ATOM 0 H ARG A 83 -15.450 -5.061 -0.752 1.00 71.21 H new ATOM 0 HA ARG A 83 -17.894 -4.824 -2.401 1.00 13.15 H new ATOM 0 HB2 ARG A 83 -15.052 -4.162 -3.260 1.00 31.33 H new ATOM 0 HB3 ARG A 83 -16.385 -4.410 -4.370 1.00 31.33 H new ATOM 0 HG2 ARG A 83 -17.666 -2.583 -3.154 1.00 74.01 H new ATOM 0 HG3 ARG A 83 -16.241 -2.288 -2.177 1.00 74.01 H new ATOM 0 HD2 ARG A 83 -16.193 -0.680 -3.965 1.00 11.54 H new ATOM 0 HD3 ARG A 83 -14.945 -1.858 -4.321 1.00 11.54 H new ATOM 0 HE ARG A 83 -16.118 -2.564 -6.195 1.00 30.02 H new ATOM 0 HH11 ARG A 83 -18.226 -0.401 -4.335 1.00 33.32 H new ATOM 0 HH12 ARG A 83 -19.508 -0.455 -5.550 1.00 33.32 H new ATOM 0 HH21 ARG A 83 -17.783 -2.684 -7.667 1.00 34.01 H new ATOM 0 HH22 ARG A 83 -19.257 -1.740 -7.426 1.00 34.01 H new ATOM 1287 N GLU A 84 -16.834 -7.337 -1.649 1.00 53.33 N ATOM 1288 CA GLU A 84 -16.767 -8.770 -1.846 1.00 24.31 C ATOM 1289 C GLU A 84 -18.089 -9.232 -2.454 1.00 45.34 C ATOM 1290 O GLU A 84 -19.179 -8.870 -1.993 1.00 12.11 O ATOM 1291 CB GLU A 84 -16.452 -9.475 -0.529 1.00 71.04 C ATOM 1292 CG GLU A 84 -15.041 -9.124 -0.056 1.00 1.23 C ATOM 1293 CD GLU A 84 -14.665 -9.968 1.154 1.00 61.42 C ATOM 1294 OE1 GLU A 84 -14.255 -11.137 0.944 1.00 45.22 O ATOM 1295 OE2 GLU A 84 -14.709 -9.433 2.278 1.00 73.02 O ATOM 0 H GLU A 84 -17.065 -7.057 -0.696 1.00 53.33 H new ATOM 0 HA GLU A 84 -15.960 -9.027 -2.532 1.00 24.31 H new ATOM 0 HB2 GLU A 84 -17.179 -9.183 0.229 1.00 71.04 H new ATOM 0 HB3 GLU A 84 -16.541 -10.554 -0.657 1.00 71.04 H new ATOM 0 HG2 GLU A 84 -14.327 -9.293 -0.862 1.00 1.23 H new ATOM 0 HG3 GLU A 84 -14.988 -8.066 0.200 1.00 1.23 H new ATOM 1302 N LYS A 85 -17.986 -10.011 -3.522 1.00 64.04 N ATOM 1303 CA LYS A 85 -19.074 -10.485 -4.365 1.00 63.23 C ATOM 1304 C LYS A 85 -18.794 -11.958 -4.637 1.00 43.10 C ATOM 1305 O LYS A 85 -18.733 -12.702 -3.629 1.00 23.22 O ATOM 1306 CB LYS A 85 -19.147 -9.550 -5.591 1.00 65.32 C ATOM 1307 CG LYS A 85 -20.237 -9.782 -6.649 1.00 21.32 C ATOM 1308 CD LYS A 85 -21.696 -9.805 -6.163 1.00 65.10 C ATOM 1309 CE LYS A 85 -22.143 -11.092 -5.458 1.00 65.02 C ATOM 1310 NZ LYS A 85 -22.159 -12.283 -6.335 1.00 11.45 N ATOM 0 H LYS A 85 -17.080 -10.351 -3.843 1.00 64.04 H new ATOM 0 HA LYS A 85 -20.069 -10.445 -3.922 1.00 63.23 H new ATOM 0 HB2 LYS A 85 -19.262 -8.532 -5.220 1.00 65.32 H new ATOM 0 HB3 LYS A 85 -18.183 -9.598 -6.098 1.00 65.32 H new ATOM 0 HG2 LYS A 85 -20.145 -9.002 -7.405 1.00 21.32 H new ATOM 0 HG3 LYS A 85 -20.031 -10.731 -7.144 1.00 21.32 H new ATOM 0 HD2 LYS A 85 -21.845 -8.968 -5.481 1.00 65.10 H new ATOM 0 HD3 LYS A 85 -22.348 -9.637 -7.020 1.00 65.10 H new ATOM 0 HE2 LYS A 85 -21.478 -11.283 -4.616 1.00 65.02 H new ATOM 0 HE3 LYS A 85 -23.142 -10.942 -5.048 1.00 65.02 H new ATOM 0 HZ1 LYS A 85 -22.551 -13.093 -5.813 1.00 11.45 H new ATOM 0 HZ2 LYS A 85 -22.748 -12.091 -7.170 1.00 11.45 H new ATOM 0 HZ3 LYS A 85 -21.189 -12.503 -6.639 1.00 11.45 H new TER 1324 LYS A 85