USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 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 28 ASN : amide:sc= -0.21 K(o=-0.27,f=-1.7!) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.0613 K(o=-0.27,f=-1.6) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 166:sc= -1.15 (180deg=-0.506) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -7.69! C(o=-8.8!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.141 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5!) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= -1.23 (180deg=-1.27) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.736! USER MOD Single : A 15 ASN :FLIP amide:sc= -1.54 F(o=-2.8,f=-1.5) USER MOD Single : A 16 GLN : amide:sc= -9.06! C(o=-9.1!,f=-16!) USER MOD Single : A 19 GLN :FLIP amide:sc= -6.08! C(o=-9!,f=-6.1!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.102 USER MOD Single : A 30 GLN :FLIP amide:sc= -4.61! C(o=-5.9!,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0445) USER MOD Single : A 38 THR OG1 : rot 130:sc= -1.31 USER MOD Single : A 39 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -133:sc= -1.54 (180deg=-3.31!) USER MOD Single : A 45 ASN : amide:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 46 GLN :FLIP amide:sc= -14.1! C(o=-20!,f=-14!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0.047) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 136:sc= -4.27! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= 0.357 (180deg=0.198) USER MOD Single : A 66 SER OG : rot -156:sc= -0.736 USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -6.41! (180deg=-7.26!) USER MOD Single : A 72 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-3.7!) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= -0.448 (180deg=-1.43) USER MOD Single : A 77 GLN : amide:sc= -3.65! C(o=-3.7!,f=-6.2!) USER MOD Single : A 79 ASN :FLIP amide:sc= -4.05! C(o=-9.3!,f=-4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.525 64.602 4.348 1.00 0.00 N ATOM 2 CA GLY A 1 2.602 65.065 2.932 1.00 0.00 C ATOM 3 C GLY A 1 1.200 65.404 2.428 1.00 0.00 C ATOM 4 O GLY A 1 0.214 65.230 3.145 1.00 0.00 O ATOM 0 H1 GLY A 1 3.063 65.252 4.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.531 64.585 4.654 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.927 63.646 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.247 65.940 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.046 64.289 2.308 1.00 0.00 H new ATOM 10 N PRO A 2 1.096 65.882 1.215 1.00 0.00 N ATOM 11 CA PRO A 2 -0.216 66.251 0.610 1.00 0.00 C ATOM 12 C PRO A 2 -1.228 65.108 0.686 1.00 0.00 C ATOM 13 O PRO A 2 -2.302 65.261 1.268 1.00 0.00 O ATOM 14 CB PRO A 2 0.115 66.586 -0.847 1.00 0.00 C ATOM 15 CG PRO A 2 1.588 66.845 -0.895 1.00 0.00 C ATOM 16 CD PRO A 2 2.219 66.128 0.300 1.00 0.00 C ATOM 0 HA PRO A 2 -0.680 67.082 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.156 65.762 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.444 67.460 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.012 66.478 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.791 67.915 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.696 65.196 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.988 66.741 0.770 1.00 0.00 H new ATOM 24 N LEU A 3 -0.885 63.965 0.097 1.00 0.00 N ATOM 25 CA LEU A 3 -1.781 62.813 0.116 1.00 0.00 C ATOM 26 C LEU A 3 -1.654 62.081 1.452 1.00 0.00 C ATOM 27 O LEU A 3 -2.625 61.964 2.199 1.00 0.00 O ATOM 28 CB LEU A 3 -1.446 61.866 -1.050 1.00 0.00 C ATOM 29 CG LEU A 3 -2.584 60.860 -1.273 1.00 0.00 C ATOM 30 CD1 LEU A 3 -3.837 61.576 -1.803 1.00 0.00 C ATOM 31 CD2 LEU A 3 -2.131 59.825 -2.308 1.00 0.00 C ATOM 0 H LEU A 3 -0.004 63.813 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.809 63.156 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.281 62.444 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.519 61.333 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.824 60.378 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.634 60.849 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.162 62.324 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.604 62.064 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.931 59.104 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.893 60.328 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.246 59.306 -1.940 1.00 0.00 H new ATOM 43 N GLY A 4 -0.446 61.613 1.764 1.00 0.00 N ATOM 44 CA GLY A 4 -0.222 60.916 3.028 1.00 0.00 C ATOM 45 C GLY A 4 1.025 60.035 2.985 1.00 0.00 C ATOM 46 O GLY A 4 1.665 59.891 1.942 1.00 0.00 O ATOM 0 H GLY A 4 0.379 61.702 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.122 61.646 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.092 60.302 3.262 1.00 0.00 H new ATOM 50 N SER A 5 1.355 59.445 4.135 1.00 0.00 N ATOM 51 CA SER A 5 2.520 58.570 4.241 1.00 0.00 C ATOM 52 C SER A 5 2.200 57.187 3.693 1.00 0.00 C ATOM 53 O SER A 5 3.100 56.391 3.424 1.00 0.00 O ATOM 54 CB SER A 5 2.930 58.437 5.706 1.00 0.00 C ATOM 55 OG SER A 5 1.857 57.857 6.443 1.00 0.00 O ATOM 0 H SER A 5 0.832 59.558 5.004 1.00 0.00 H new ATOM 0 HA SER A 5 3.333 59.007 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.822 57.817 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.181 59.415 6.116 1.00 0.00 H new ATOM 0 HG SER A 5 2.117 57.768 7.384 1.00 0.00 H new ATOM 61 N MET A 6 0.911 56.917 3.530 1.00 0.00 N ATOM 62 CA MET A 6 0.457 55.633 3.017 1.00 0.00 C ATOM 63 C MET A 6 1.557 54.944 2.214 1.00 0.00 C ATOM 64 O MET A 6 1.970 55.439 1.166 1.00 0.00 O ATOM 65 CB MET A 6 -0.778 55.857 2.138 1.00 0.00 C ATOM 66 CG MET A 6 -1.953 56.251 3.033 1.00 0.00 C ATOM 67 SD MET A 6 -3.282 56.956 2.028 1.00 0.00 S ATOM 68 CE MET A 6 -4.253 57.628 3.398 1.00 0.00 C ATOM 0 H MET A 6 0.160 57.573 3.747 1.00 0.00 H new ATOM 0 HA MET A 6 0.202 54.985 3.856 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.583 56.640 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.015 54.950 1.581 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.318 55.378 3.574 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.626 56.975 3.779 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.143 58.121 3.006 1.00 0.00 H new ATOM 0 HE2 MET A 6 -4.551 56.818 4.065 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.652 58.350 3.950 1.00 0.00 H new ATOM 78 N ASN A 7 2.033 53.802 2.717 1.00 0.00 N ATOM 79 CA ASN A 7 3.089 53.058 2.032 1.00 0.00 C ATOM 80 C ASN A 7 3.247 51.659 2.622 1.00 0.00 C ATOM 81 O ASN A 7 3.193 51.476 3.838 1.00 0.00 O ATOM 82 CB ASN A 7 4.421 53.810 2.142 1.00 0.00 C ATOM 83 CG ASN A 7 4.988 53.699 3.557 1.00 0.00 C ATOM 84 OD1 ASN A 7 4.286 53.292 4.483 1.00 0.00 O ATOM 85 ND2 ASN A 7 6.228 54.048 3.780 1.00 0.00 N ATOM 0 H ASN A 7 1.708 53.378 3.586 1.00 0.00 H new ATOM 0 HA ASN A 7 2.806 52.964 0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.135 53.403 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.275 54.859 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.615 53.983 4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.809 54.385 3.012 1.00 0.00 H new ATOM 92 N LYS A 8 3.460 50.673 1.749 1.00 0.00 N ATOM 93 CA LYS A 8 3.643 49.297 2.198 1.00 0.00 C ATOM 94 C LYS A 8 5.118 49.041 2.503 1.00 0.00 C ATOM 95 O LYS A 8 5.965 49.900 2.262 1.00 0.00 O ATOM 96 CB LYS A 8 3.144 48.301 1.142 1.00 0.00 C ATOM 97 CG LYS A 8 1.640 48.491 0.932 1.00 0.00 C ATOM 98 CD LYS A 8 1.066 47.301 0.157 1.00 0.00 C ATOM 99 CE LYS A 8 -0.415 47.553 -0.131 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.885 48.707 0.685 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.509 50.802 0.738 1.00 0.00 H new ATOM 0 HA LYS A 8 3.056 49.153 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.675 48.454 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.351 47.280 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.139 48.584 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.455 49.416 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.612 47.163 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.185 46.384 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.561 47.759 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.000 46.664 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.900 48.860 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.727 48.507 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.357 49.561 0.415 1.00 0.00 H new ATOM 114 N PHE A 9 5.418 47.866 3.048 1.00 0.00 N ATOM 115 CA PHE A 9 6.794 47.525 3.398 1.00 0.00 C ATOM 116 C PHE A 9 7.613 47.173 2.161 1.00 0.00 C ATOM 117 O PHE A 9 7.101 46.605 1.196 1.00 0.00 O ATOM 118 CB PHE A 9 6.814 46.341 4.363 1.00 0.00 C ATOM 119 CG PHE A 9 6.298 46.776 5.717 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.172 47.357 6.645 1.00 0.00 C ATOM 121 CD2 PHE A 9 4.953 46.582 6.050 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.698 47.757 7.899 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.479 46.979 7.306 1.00 0.00 C ATOM 124 CZ PHE A 9 5.353 47.563 8.232 1.00 0.00 C ATOM 0 H PHE A 9 4.734 47.139 3.256 1.00 0.00 H new ATOM 0 HA PHE A 9 7.238 48.400 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.199 45.531 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.829 45.954 4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.213 47.496 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.281 46.126 5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.370 48.215 8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.439 46.835 7.561 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.989 47.864 9.203 1.00 0.00 H new ATOM 134 N THR A 10 8.888 47.538 2.199 1.00 0.00 N ATOM 135 CA THR A 10 9.782 47.282 1.079 1.00 0.00 C ATOM 136 C THR A 10 10.277 45.850 1.107 1.00 0.00 C ATOM 137 O THR A 10 10.278 45.203 2.154 1.00 0.00 O ATOM 138 CB THR A 10 10.990 48.214 1.153 1.00 0.00 C ATOM 139 OG1 THR A 10 11.857 47.770 2.185 1.00 0.00 O ATOM 140 CG2 THR A 10 10.519 49.637 1.447 1.00 0.00 C ATOM 0 H THR A 10 9.324 48.011 2.991 1.00 0.00 H new ATOM 0 HA THR A 10 9.227 47.457 0.157 1.00 0.00 H new ATOM 0 HB THR A 10 11.523 48.205 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.704 48.260 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.381 50.302 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.851 49.971 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.988 49.655 2.399 1.00 0.00 H new ATOM 148 N ASP A 11 10.707 45.362 -0.046 1.00 0.00 N ATOM 149 CA ASP A 11 11.214 44.007 -0.131 1.00 0.00 C ATOM 150 C ASP A 11 12.320 43.808 0.892 1.00 0.00 C ATOM 151 O ASP A 11 12.384 42.775 1.553 1.00 0.00 O ATOM 152 CB ASP A 11 11.754 43.747 -1.533 1.00 0.00 C ATOM 153 CG ASP A 11 10.609 43.783 -2.540 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.483 43.544 -2.135 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.875 44.054 -3.698 1.00 0.00 O1- ATOM 0 H ASP A 11 10.714 45.879 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 11 10.405 43.307 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.501 44.498 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.251 42.778 -1.568 1.00 0.00 H new ATOM 160 N ASP A 12 13.181 44.815 1.037 1.00 0.00 N ATOM 161 CA ASP A 12 14.264 44.725 2.010 1.00 0.00 C ATOM 162 C ASP A 12 13.685 44.629 3.414 1.00 0.00 C ATOM 163 O ASP A 12 14.096 43.785 4.210 1.00 0.00 O ATOM 164 CB ASP A 12 15.175 45.953 1.922 1.00 0.00 C ATOM 165 CG ASP A 12 15.902 45.983 0.579 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.071 44.927 -0.006 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.279 47.065 0.158 1.00 0.00 O1- ATOM 0 H ASP A 12 13.151 45.684 0.504 1.00 0.00 H new ATOM 0 HA ASP A 12 14.852 43.834 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.584 46.861 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.901 45.934 2.735 1.00 0.00 H new ATOM 172 N GLU A 13 12.709 45.485 3.704 1.00 0.00 N ATOM 173 CA GLU A 13 12.065 45.470 5.009 1.00 0.00 C ATOM 174 C GLU A 13 11.343 44.155 5.198 1.00 0.00 C ATOM 175 O GLU A 13 11.339 43.568 6.280 1.00 0.00 O ATOM 176 CB GLU A 13 11.045 46.602 5.103 1.00 0.00 C ATOM 177 CG GLU A 13 11.760 47.953 5.144 1.00 0.00 C ATOM 178 CD GLU A 13 12.636 48.045 6.386 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.348 47.344 7.342 1.00 0.00 O ATOM 180 OE2 GLU A 13 13.584 48.811 6.360 1.00 0.00 O1- ATOM 0 H GLU A 13 12.351 46.190 3.059 1.00 0.00 H new ATOM 0 HA GLU A 13 12.827 45.598 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.370 46.565 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.434 46.478 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.370 48.077 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.028 48.761 5.145 1.00 0.00 H new ATOM 187 N TRP A 14 10.730 43.700 4.122 1.00 0.00 N ATOM 188 CA TRP A 14 10.002 42.462 4.156 1.00 0.00 C ATOM 189 C TRP A 14 10.963 41.319 4.462 1.00 0.00 C ATOM 190 O TRP A 14 10.691 40.495 5.330 1.00 0.00 O ATOM 191 CB TRP A 14 9.303 42.261 2.815 1.00 0.00 C ATOM 192 CG TRP A 14 8.026 41.509 3.013 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.682 40.410 2.318 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.921 41.777 3.935 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.441 39.973 2.749 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.931 40.783 3.747 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.681 42.770 4.910 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.750 40.776 4.491 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.494 42.758 5.659 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.533 41.764 5.450 1.00 0.00 C ATOM 0 H TRP A 14 10.726 44.174 3.219 1.00 0.00 H new ATOM 0 HA TRP A 14 9.244 42.484 4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.098 43.227 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.955 41.714 2.134 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.278 39.943 1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.961 39.154 2.376 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.415 43.543 5.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.008 40.009 4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.322 43.522 6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.623 41.762 6.031 1.00 0.00 H new ATOM 211 N ASN A 15 12.090 41.267 3.752 1.00 0.00 N ATOM 212 CA ASN A 15 13.066 40.201 3.977 1.00 0.00 C ATOM 213 C ASN A 15 13.479 40.129 5.444 1.00 0.00 C ATOM 214 O ASN A 15 13.590 39.045 6.017 1.00 0.00 O ATOM 215 CB ASN A 15 14.316 40.461 3.138 1.00 0.00 C ATOM 216 CG ASN A 15 13.983 40.472 1.652 1.00 0.00 C ATOM 217 OD1 ASN A 15 14.494 41.404 0.890 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 13.242 39.616 1.171 1.00 0.00 N flip ATOM 0 H ASN A 15 12.347 41.938 3.028 1.00 0.00 H new ATOM 0 HA ASN A 15 12.599 39.258 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.757 41.416 3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.061 39.692 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.845 38.891 1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.024 39.632 0.175 1.00 0.00 H new ATOM 225 N GLN A 16 13.696 41.291 6.046 1.00 0.00 N ATOM 226 CA GLN A 16 14.090 41.337 7.448 1.00 0.00 C ATOM 227 C GLN A 16 12.960 40.788 8.304 1.00 0.00 C ATOM 228 O GLN A 16 13.185 40.008 9.230 1.00 0.00 O ATOM 229 CB GLN A 16 14.428 42.770 7.862 1.00 0.00 C ATOM 230 CG GLN A 16 15.857 43.091 7.423 1.00 0.00 C ATOM 231 CD GLN A 16 15.926 43.194 5.904 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.699 42.207 5.207 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.225 44.338 5.349 1.00 0.00 N ATOM 0 H GLN A 16 13.608 42.201 5.594 1.00 0.00 H new ATOM 0 HA GLN A 16 14.981 40.725 7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.728 43.469 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.332 42.883 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.183 44.028 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.537 42.315 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.412 45.154 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.271 44.415 4.333 1.00 0.00 H new ATOM 242 N LEU A 17 11.740 41.194 7.978 1.00 0.00 N ATOM 243 CA LEU A 17 10.573 40.730 8.708 1.00 0.00 C ATOM 244 C LEU A 17 10.448 39.214 8.596 1.00 0.00 C ATOM 245 O LEU A 17 10.043 38.547 9.547 1.00 0.00 O ATOM 246 CB LEU A 17 9.314 41.398 8.153 1.00 0.00 C ATOM 247 CG LEU A 17 8.082 40.874 8.896 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.100 41.359 10.348 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.823 41.397 8.204 1.00 0.00 C ATOM 0 H LEU A 17 11.536 41.841 7.216 1.00 0.00 H new ATOM 0 HA LEU A 17 10.687 40.996 9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.385 42.480 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.222 41.193 7.086 1.00 0.00 H new ATOM 0 HG LEU A 17 8.090 39.784 8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.220 40.981 10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.999 40.993 10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.093 42.449 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.941 41.028 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.825 42.487 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.804 41.049 7.171 1.00 0.00 H new ATOM 261 N LYS A 18 10.796 38.669 7.430 1.00 0.00 N ATOM 262 CA LYS A 18 10.714 37.228 7.224 1.00 0.00 C ATOM 263 C LYS A 18 11.626 36.474 8.178 1.00 0.00 C ATOM 264 O LYS A 18 11.212 35.487 8.786 1.00 0.00 O ATOM 265 CB LYS A 18 11.108 36.880 5.795 1.00 0.00 C ATOM 266 CG LYS A 18 10.067 37.424 4.831 1.00 0.00 C ATOM 267 CD LYS A 18 10.461 37.021 3.415 1.00 0.00 C ATOM 268 CE LYS A 18 9.545 37.710 2.412 1.00 0.00 C ATOM 269 NZ LYS A 18 8.780 36.676 1.666 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.133 39.198 6.625 1.00 0.00 H new ATOM 0 HA LYS A 18 9.683 36.931 7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.087 37.301 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.192 35.799 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.081 37.030 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.006 38.509 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.498 37.296 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.392 35.939 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.862 38.385 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.131 38.316 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.993 37.126 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.408 36.204 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.403 35.974 2.334 1.00 0.00 H new ATOM 283 N GLN A 19 12.871 36.928 8.302 1.00 0.00 N ATOM 284 CA GLN A 19 13.808 36.256 9.186 1.00 0.00 C ATOM 285 C GLN A 19 13.271 36.280 10.606 1.00 0.00 C ATOM 286 O GLN A 19 13.374 35.296 11.337 1.00 0.00 O ATOM 287 CB GLN A 19 15.183 36.931 9.122 1.00 0.00 C ATOM 288 CG GLN A 19 15.957 36.403 7.910 1.00 0.00 C ATOM 289 CD GLN A 19 15.063 36.404 6.674 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.257 35.399 6.463 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 15.100 37.345 5.880 1.00 0.00 N flip ATOM 0 H GLN A 19 13.245 37.741 7.812 1.00 0.00 H new ATOM 0 HA GLN A 19 13.923 35.221 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.066 38.012 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.740 36.732 10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.836 37.022 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.314 35.393 8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.731 38.129 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.500 37.340 5.055 1.00 0.00 H new ATOM 300 N ASP A 20 12.686 37.409 10.990 1.00 0.00 N ATOM 301 CA ASP A 20 12.124 37.547 12.325 1.00 0.00 C ATOM 302 C ASP A 20 10.998 36.542 12.545 1.00 0.00 C ATOM 303 O ASP A 20 10.930 35.894 13.588 1.00 0.00 O ATOM 304 CB ASP A 20 11.577 38.960 12.508 1.00 0.00 C ATOM 305 CG ASP A 20 12.706 39.976 12.397 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.796 39.672 12.850 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.464 41.040 11.857 1.00 0.00 O1- ATOM 0 H ASP A 20 12.590 38.235 10.400 1.00 0.00 H new ATOM 0 HA ASP A 20 12.914 37.356 13.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.817 39.165 11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.092 39.048 13.480 1.00 0.00 H new ATOM 312 N PHE A 21 10.117 36.404 11.558 1.00 0.00 N ATOM 313 CA PHE A 21 9.014 35.463 11.683 1.00 0.00 C ATOM 314 C PHE A 21 9.573 34.051 11.783 1.00 0.00 C ATOM 315 O PHE A 21 9.158 33.264 12.632 1.00 0.00 O ATOM 316 CB PHE A 21 8.065 35.591 10.491 1.00 0.00 C ATOM 317 CG PHE A 21 7.150 36.783 10.695 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.530 37.835 11.545 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.915 36.837 10.034 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.675 38.927 11.736 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.062 37.932 10.225 1.00 0.00 C ATOM 322 CZ PHE A 21 5.444 38.977 11.074 1.00 0.00 C ATOM 0 H PHE A 21 10.145 36.922 10.680 1.00 0.00 H new ATOM 0 HA PHE A 21 8.445 35.686 12.585 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.636 35.711 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.475 34.681 10.384 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.483 37.801 12.052 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.620 36.033 9.376 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.966 39.731 12.395 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.110 37.970 9.717 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.788 39.823 11.218 1.00 0.00 H new ATOM 332 N ILE A 22 10.558 33.756 10.943 1.00 0.00 N ATOM 333 CA ILE A 22 11.208 32.456 10.988 1.00 0.00 C ATOM 334 C ILE A 22 11.790 32.258 12.383 1.00 0.00 C ATOM 335 O ILE A 22 11.642 31.197 12.988 1.00 0.00 O ATOM 336 CB ILE A 22 12.313 32.385 9.926 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.676 32.445 8.539 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.108 31.079 10.058 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.772 32.571 7.479 1.00 0.00 C ATOM 0 H ILE A 22 10.919 34.392 10.232 1.00 0.00 H new ATOM 0 HA ILE A 22 10.487 31.666 10.777 1.00 0.00 H new ATOM 0 HB ILE A 22 12.993 33.225 10.069 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.084 31.548 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.995 33.294 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.887 31.048 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.565 31.030 11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.437 30.230 9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.318 32.614 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.345 33.481 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.435 31.708 7.537 1.00 0.00 H new ATOM 351 N SER A 23 12.448 33.299 12.887 1.00 0.00 N ATOM 352 CA SER A 23 13.038 33.242 14.217 1.00 0.00 C ATOM 353 C SER A 23 11.953 32.947 15.246 1.00 0.00 C ATOM 354 O SER A 23 12.122 32.102 16.121 1.00 0.00 O ATOM 355 CB SER A 23 13.715 34.572 14.552 1.00 0.00 C ATOM 356 OG SER A 23 14.607 34.378 15.646 1.00 0.00 O ATOM 0 H SER A 23 12.584 34.184 12.398 1.00 0.00 H new ATOM 0 HA SER A 23 13.786 32.449 14.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.259 34.946 13.685 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.966 35.322 14.806 1.00 0.00 H new ATOM 0 HG SER A 23 15.046 35.227 15.865 1.00 0.00 H new ATOM 362 N GLY A 24 10.830 33.643 15.123 1.00 0.00 N ATOM 363 CA GLY A 24 9.722 33.439 16.043 1.00 0.00 C ATOM 364 C GLY A 24 9.296 31.977 16.054 1.00 0.00 C ATOM 365 O GLY A 24 8.898 31.449 17.087 1.00 0.00 O ATOM 0 H GLY A 24 10.664 34.346 14.403 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.015 33.745 17.047 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.880 34.067 15.751 1.00 0.00 H new ATOM 369 N ILE A 25 9.378 31.328 14.893 1.00 0.00 N ATOM 370 CA ILE A 25 8.989 29.923 14.783 1.00 0.00 C ATOM 371 C ILE A 25 10.031 28.995 15.409 1.00 0.00 C ATOM 372 O ILE A 25 9.674 28.059 16.123 1.00 0.00 O ATOM 373 CB ILE A 25 8.780 29.539 13.312 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.545 30.258 12.750 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.578 28.026 13.198 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.263 29.645 13.332 1.00 0.00 C ATOM 0 H ILE A 25 9.707 31.748 14.023 1.00 0.00 H new ATOM 0 HA ILE A 25 8.054 29.803 15.330 1.00 0.00 H new ATOM 0 HB ILE A 25 9.660 29.836 12.742 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.592 31.320 12.993 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.533 30.180 11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.430 27.756 12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.458 27.511 13.584 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.702 27.731 13.776 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.395 30.164 12.926 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.212 28.589 13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.271 29.747 14.417 1.00 0.00 H new ATOM 388 N LEU A 26 11.312 29.248 15.150 1.00 0.00 N ATOM 389 CA LEU A 26 12.362 28.402 15.716 1.00 0.00 C ATOM 390 C LEU A 26 12.513 28.680 17.213 1.00 0.00 C ATOM 391 O LEU A 26 12.876 27.795 17.987 1.00 0.00 O ATOM 392 CB LEU A 26 13.691 28.630 14.979 1.00 0.00 C ATOM 393 CG LEU A 26 14.575 29.608 15.757 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.218 28.886 16.944 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.673 30.143 14.831 1.00 0.00 C ATOM 0 H LEU A 26 11.644 30.015 14.565 1.00 0.00 H new ATOM 0 HA LEU A 26 12.080 27.357 15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.212 27.681 14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.497 29.021 13.980 1.00 0.00 H new ATOM 0 HG LEU A 26 13.968 30.436 16.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.847 29.584 17.497 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.438 28.501 17.601 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.827 28.058 16.580 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.305 30.840 15.381 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.279 29.313 14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.217 30.657 13.985 1.00 0.00 H new ATOM 407 N GLU A 27 12.209 29.914 17.610 1.00 0.00 N ATOM 408 CA GLU A 27 12.283 30.306 19.014 1.00 0.00 C ATOM 409 C GLU A 27 11.075 29.773 19.790 1.00 0.00 C ATOM 410 O GLU A 27 11.204 29.313 20.928 1.00 0.00 O ATOM 411 CB GLU A 27 12.331 31.834 19.127 1.00 0.00 C ATOM 412 CG GLU A 27 13.667 32.352 18.588 1.00 0.00 C ATOM 413 CD GLU A 27 13.730 33.872 18.721 1.00 0.00 C ATOM 414 OE1 GLU A 27 12.759 34.446 19.187 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.742 34.439 18.345 1.00 0.00 O1- ATOM 0 H GLU A 27 11.910 30.658 16.980 1.00 0.00 H new ATOM 0 HA GLU A 27 13.190 29.879 19.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.507 32.275 18.567 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.207 32.135 20.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.491 31.896 19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.783 32.065 17.543 1.00 0.00 H new ATOM 422 N ASN A 28 9.897 29.845 19.165 1.00 0.00 N ATOM 423 CA ASN A 28 8.662 29.377 19.799 1.00 0.00 C ATOM 424 C ASN A 28 8.493 27.870 19.645 1.00 0.00 C ATOM 425 O ASN A 28 9.062 27.256 18.745 1.00 0.00 O ATOM 426 CB ASN A 28 7.445 30.061 19.164 1.00 0.00 C ATOM 427 CG ASN A 28 7.321 31.501 19.647 1.00 0.00 C ATOM 428 OD1 ASN A 28 7.737 31.821 20.760 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.765 32.393 18.871 1.00 0.00 N ATOM 0 H ASN A 28 9.772 30.221 18.225 1.00 0.00 H new ATOM 0 HA ASN A 28 8.731 29.626 20.858 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.538 30.044 18.078 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.539 29.509 19.416 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.675 33.359 19.187 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.421 32.124 17.949 1.00 0.00 H new ATOM 436 N GLU A 29 7.678 27.287 20.517 1.00 0.00 N ATOM 437 CA GLU A 29 7.408 25.858 20.458 1.00 0.00 C ATOM 438 C GLU A 29 6.852 25.499 19.079 1.00 0.00 C ATOM 439 O GLU A 29 6.972 24.359 18.626 1.00 0.00 O ATOM 440 CB GLU A 29 6.407 25.476 21.552 1.00 0.00 C ATOM 441 CG GLU A 29 6.249 23.955 21.599 1.00 0.00 C ATOM 442 CD GLU A 29 5.189 23.576 22.630 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.655 24.475 23.259 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.924 22.393 22.773 1.00 0.00 O1- ATOM 0 H GLU A 29 7.196 27.780 21.269 1.00 0.00 H new ATOM 0 HA GLU A 29 8.333 25.305 20.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.751 25.845 22.518 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.443 25.945 21.356 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.964 23.579 20.616 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.201 23.489 21.855 1.00 0.00 H new ATOM 451 N GLN A 30 6.256 26.493 18.418 1.00 0.00 N ATOM 452 CA GLN A 30 5.686 26.296 17.084 1.00 0.00 C ATOM 453 C GLN A 30 6.709 25.662 16.145 1.00 0.00 C ATOM 454 O GLN A 30 6.377 25.249 15.034 1.00 0.00 O ATOM 455 CB GLN A 30 5.240 27.640 16.493 1.00 0.00 C ATOM 456 CG GLN A 30 4.009 28.166 17.243 1.00 0.00 C ATOM 457 CD GLN A 30 3.979 27.615 18.663 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.462 28.330 19.639 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 3.507 26.501 18.887 1.00 0.00 N flip ATOM 0 H GLN A 30 6.156 27.440 18.783 1.00 0.00 H new ATOM 0 HA GLN A 30 4.828 25.632 17.183 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.053 28.363 16.561 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.007 27.521 15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.029 29.256 17.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.101 27.876 16.714 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.130 25.944 18.121 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.493 26.135 19.839 1.00 0.00 H new ATOM 468 N LYS A 31 7.956 25.608 16.592 1.00 0.00 N ATOM 469 CA LYS A 31 9.026 25.039 15.783 1.00 0.00 C ATOM 470 C LYS A 31 8.709 23.600 15.363 1.00 0.00 C ATOM 471 O LYS A 31 9.008 23.178 14.244 1.00 0.00 O ATOM 472 CB LYS A 31 10.327 25.070 16.580 1.00 0.00 C ATOM 473 CG LYS A 31 11.462 24.489 15.738 1.00 0.00 C ATOM 474 CD LYS A 31 12.777 24.587 16.514 1.00 0.00 C ATOM 475 CE LYS A 31 12.800 23.542 17.634 1.00 0.00 C ATOM 476 NZ LYS A 31 14.132 23.562 18.297 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.251 25.950 17.507 1.00 0.00 H new ATOM 0 HA LYS A 31 9.126 25.635 14.876 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.563 26.094 16.869 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.214 24.497 17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.250 23.449 15.491 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.543 25.030 14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.619 24.430 15.841 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.888 25.586 16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.016 23.754 18.361 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.598 22.551 17.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.152 22.854 19.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.871 23.341 17.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.306 24.506 18.698 1.00 0.00 H new ATOM 490 N ASP A 32 8.102 22.843 16.258 1.00 0.00 N ATOM 491 CA ASP A 32 7.754 21.462 15.944 1.00 0.00 C ATOM 492 C ASP A 32 6.678 21.422 14.856 1.00 0.00 C ATOM 493 O ASP A 32 6.715 20.575 13.957 1.00 0.00 O ATOM 494 CB ASP A 32 7.245 20.756 17.199 1.00 0.00 C ATOM 495 CG ASP A 32 7.185 19.249 16.968 1.00 0.00 C ATOM 496 OD1 ASP A 32 6.235 18.802 16.347 1.00 0.00 O ATOM 497 OD2 ASP A 32 8.088 18.564 17.421 1.00 0.00 O1- ATOM 0 H ASP A 32 7.841 23.151 17.195 1.00 0.00 H new ATOM 0 HA ASP A 32 8.645 20.950 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.902 20.976 18.041 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.255 21.131 17.460 1.00 0.00 H new ATOM 502 N LEU A 33 5.716 22.339 14.949 1.00 0.00 N ATOM 503 CA LEU A 33 4.627 22.399 13.974 1.00 0.00 C ATOM 504 C LEU A 33 5.155 22.653 12.567 1.00 0.00 C ATOM 505 O LEU A 33 4.744 21.995 11.612 1.00 0.00 O ATOM 506 CB LEU A 33 3.656 23.522 14.338 1.00 0.00 C ATOM 507 CG LEU A 33 3.059 23.269 15.720 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.086 24.400 16.063 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.303 21.938 15.712 1.00 0.00 C ATOM 0 H LEU A 33 5.668 23.045 15.683 1.00 0.00 H new ATOM 0 HA LEU A 33 4.117 21.436 13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.175 24.480 14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.861 23.582 13.595 1.00 0.00 H new ATOM 0 HG LEU A 33 3.857 23.231 16.462 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.657 24.224 17.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.619 25.351 16.064 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.289 24.432 15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.876 21.756 16.698 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.503 21.978 14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.990 21.131 15.460 1.00 0.00 H new ATOM 521 N VAL A 34 6.070 23.607 12.435 1.00 0.00 N ATOM 522 CA VAL A 34 6.627 23.916 11.124 1.00 0.00 C ATOM 523 C VAL A 34 7.413 22.720 10.601 1.00 0.00 C ATOM 524 O VAL A 34 7.496 22.495 9.393 1.00 0.00 O ATOM 525 CB VAL A 34 7.524 25.148 11.207 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.673 24.867 12.160 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.081 25.468 9.822 1.00 0.00 C ATOM 0 H VAL A 34 6.436 24.170 13.203 1.00 0.00 H new ATOM 0 HA VAL A 34 5.811 24.130 10.434 1.00 0.00 H new ATOM 0 HB VAL A 34 6.945 25.997 11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.317 25.744 12.223 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.277 24.636 13.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.251 24.019 11.793 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.722 26.348 9.882 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.662 24.620 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.258 25.665 9.135 1.00 0.00 H new ATOM 537 N ALA A 35 7.980 21.950 11.525 1.00 0.00 N ATOM 538 CA ALA A 35 8.747 20.769 11.151 1.00 0.00 C ATOM 539 C ALA A 35 7.866 19.790 10.385 1.00 0.00 C ATOM 540 O ALA A 35 8.258 19.275 9.338 1.00 0.00 O ATOM 541 CB ALA A 35 9.289 20.077 12.401 1.00 0.00 C ATOM 0 H ALA A 35 7.923 22.121 12.529 1.00 0.00 H new ATOM 0 HA ALA A 35 9.577 21.084 10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.861 19.196 12.110 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.935 20.765 12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.458 19.776 13.039 1.00 0.00 H new ATOM 547 N LYS A 36 6.673 19.540 10.913 1.00 0.00 N ATOM 548 CA LYS A 36 5.741 18.625 10.264 1.00 0.00 C ATOM 549 C LYS A 36 5.334 19.169 8.901 1.00 0.00 C ATOM 550 O LYS A 36 5.145 18.416 7.945 1.00 0.00 O ATOM 551 CB LYS A 36 4.485 18.461 11.117 1.00 0.00 C ATOM 552 CG LYS A 36 4.854 17.897 12.488 1.00 0.00 C ATOM 553 CD LYS A 36 3.573 17.619 13.274 1.00 0.00 C ATOM 554 CE LYS A 36 3.921 17.218 14.707 1.00 0.00 C ATOM 555 NZ LYS A 36 3.203 18.113 15.658 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.331 19.953 11.780 1.00 0.00 H new ATOM 0 HA LYS A 36 6.236 17.661 10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.986 19.423 11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.781 17.795 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.432 16.980 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.482 18.605 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.939 18.506 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.005 16.823 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.640 16.180 14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.997 17.289 14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.300 17.742 16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.611 19.068 15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.196 18.154 15.403 1.00 0.00 H new ATOM 569 N LEU A 37 5.188 20.487 8.833 1.00 0.00 N ATOM 570 CA LEU A 37 4.783 21.148 7.602 1.00 0.00 C ATOM 571 C LEU A 37 5.751 20.833 6.460 1.00 0.00 C ATOM 572 O LEU A 37 5.330 20.487 5.358 1.00 0.00 O ATOM 573 CB LEU A 37 4.736 22.659 7.832 1.00 0.00 C ATOM 574 CG LEU A 37 4.180 23.354 6.587 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.663 23.153 6.523 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.485 24.854 6.651 1.00 0.00 C ATOM 0 H LEU A 37 5.345 21.119 9.618 1.00 0.00 H new ATOM 0 HA LEU A 37 3.796 20.780 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.111 22.886 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.735 23.034 8.054 1.00 0.00 H new ATOM 0 HG LEU A 37 4.647 22.925 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.267 23.648 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.439 22.087 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.201 23.580 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.087 25.344 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.021 25.282 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.564 25.004 6.696 1.00 0.00 H new ATOM 588 N THR A 38 7.050 20.953 6.731 1.00 0.00 N ATOM 589 CA THR A 38 8.064 20.678 5.720 1.00 0.00 C ATOM 590 C THR A 38 8.812 19.395 6.055 1.00 0.00 C ATOM 591 O THR A 38 8.802 18.938 7.199 1.00 0.00 O ATOM 592 CB THR A 38 9.056 21.841 5.638 1.00 0.00 C ATOM 593 OG1 THR A 38 8.614 22.892 6.483 1.00 0.00 O ATOM 594 CG2 THR A 38 9.148 22.343 4.195 1.00 0.00 C ATOM 0 H THR A 38 7.421 21.237 7.637 1.00 0.00 H new ATOM 0 HA THR A 38 7.567 20.560 4.757 1.00 0.00 H new ATOM 0 HB THR A 38 10.041 21.503 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.352 23.181 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.855 23.171 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.488 21.533 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.166 22.683 3.865 1.00 0.00 H new ATOM 602 N ASN A 39 9.464 18.824 5.054 1.00 0.00 N ATOM 603 CA ASN A 39 10.218 17.599 5.255 1.00 0.00 C ATOM 604 C ASN A 39 11.643 17.924 5.688 1.00 0.00 C ATOM 605 O ASN A 39 12.386 18.588 4.966 1.00 0.00 O ATOM 606 CB ASN A 39 10.242 16.801 3.955 1.00 0.00 C ATOM 607 CG ASN A 39 8.827 16.363 3.595 1.00 0.00 C ATOM 608 OD1 ASN A 39 7.962 16.285 4.466 1.00 0.00 O ATOM 609 ND2 ASN A 39 8.536 16.077 2.356 1.00 0.00 N ATOM 0 H ASN A 39 9.486 19.187 4.101 1.00 0.00 H new ATOM 0 HA ASN A 39 9.741 17.008 6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.661 17.408 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.886 15.929 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.590 15.788 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.255 16.142 1.635 1.00 0.00 H new ATOM 616 N SER A 40 12.014 17.452 6.872 1.00 0.00 N ATOM 617 CA SER A 40 13.354 17.693 7.405 1.00 0.00 C ATOM 618 C SER A 40 13.610 19.187 7.620 1.00 0.00 C ATOM 619 O SER A 40 13.542 19.676 8.748 1.00 0.00 O ATOM 620 CB SER A 40 14.406 17.115 6.457 1.00 0.00 C ATOM 621 OG SER A 40 15.699 17.516 6.888 1.00 0.00 O ATOM 0 H SER A 40 11.409 16.901 7.482 1.00 0.00 H new ATOM 0 HA SER A 40 13.424 17.196 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.337 16.027 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.225 17.463 5.440 1.00 0.00 H new ATOM 0 HG SER A 40 16.375 17.145 6.283 1.00 0.00 H new ATOM 627 N ASP A 41 13.914 19.906 6.540 1.00 0.00 N ATOM 628 CA ASP A 41 14.186 21.342 6.646 1.00 0.00 C ATOM 629 C ASP A 41 13.404 21.950 7.809 1.00 0.00 C ATOM 630 O ASP A 41 12.220 22.259 7.670 1.00 0.00 O ATOM 631 CB ASP A 41 13.793 22.063 5.354 1.00 0.00 C ATOM 632 CG ASP A 41 13.822 21.104 4.170 1.00 0.00 C ATOM 633 OD1 ASP A 41 14.436 20.057 4.294 1.00 0.00 O ATOM 634 OD2 ASP A 41 13.232 21.433 3.155 1.00 0.00 O1- ATOM 0 H ASP A 41 13.978 19.527 5.595 1.00 0.00 H new ATOM 0 HA ASP A 41 15.255 21.466 6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.795 22.489 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.476 22.893 5.173 1.00 0.00 H new ATOM 639 N PRO A 42 14.038 22.126 8.945 1.00 0.00 N ATOM 640 CA PRO A 42 13.398 22.712 10.145 1.00 0.00 C ATOM 641 C PRO A 42 13.587 24.226 10.219 1.00 0.00 C ATOM 642 O PRO A 42 12.630 24.990 10.108 1.00 0.00 O ATOM 643 CB PRO A 42 14.132 22.010 11.286 1.00 0.00 C ATOM 644 CG PRO A 42 15.499 21.693 10.756 1.00 0.00 C ATOM 645 CD PRO A 42 15.438 21.785 9.222 1.00 0.00 C ATOM 0 HA PRO A 42 12.317 22.570 10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 42 14.192 22.651 12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.609 21.103 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 42 16.235 22.393 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 42 15.808 20.695 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.118 22.546 8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.720 20.842 8.754 1.00 0.00 H new ATOM 653 N ILE A 43 14.835 24.647 10.403 1.00 0.00 N ATOM 654 CA ILE A 43 15.152 26.070 10.490 1.00 0.00 C ATOM 655 C ILE A 43 14.654 26.786 9.244 1.00 0.00 C ATOM 656 O ILE A 43 14.190 27.924 9.307 1.00 0.00 O ATOM 657 CB ILE A 43 16.666 26.263 10.597 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.209 25.461 11.782 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.980 27.746 10.808 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.738 25.471 11.739 1.00 0.00 C ATOM 0 H ILE A 43 15.640 24.027 10.494 1.00 0.00 H new ATOM 0 HA ILE A 43 14.666 26.482 11.374 1.00 0.00 H new ATOM 0 HB ILE A 43 17.135 25.915 9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.857 25.892 12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.839 24.436 11.743 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.059 27.882 10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.600 28.322 9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.505 28.091 11.726 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.129 24.901 12.581 1.00 0.00 H new ATOM 0 HD12 ILE A 43 19.079 25.021 10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 43 19.097 26.498 11.798 1.00 0.00 H new ATOM 672 N MET A 44 14.760 26.102 8.113 1.00 0.00 N ATOM 673 CA MET A 44 14.326 26.661 6.840 1.00 0.00 C ATOM 674 C MET A 44 12.922 27.252 6.960 1.00 0.00 C ATOM 675 O MET A 44 12.612 28.268 6.339 1.00 0.00 O ATOM 676 CB MET A 44 14.334 25.561 5.773 1.00 0.00 C ATOM 677 CG MET A 44 13.791 26.115 4.451 1.00 0.00 C ATOM 678 SD MET A 44 13.337 24.745 3.364 1.00 0.00 S ATOM 679 CE MET A 44 12.360 25.713 2.188 1.00 0.00 C ATOM 0 H MET A 44 15.143 25.159 8.051 1.00 0.00 H new ATOM 0 HA MET A 44 15.012 27.458 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 44 15.348 25.186 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.726 24.718 6.102 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.923 26.747 4.639 1.00 0.00 H new ATOM 0 HG3 MET A 44 14.543 26.741 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.416 25.204 1.994 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.162 26.700 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.914 25.818 1.255 1.00 0.00 H new ATOM 689 N ASN A 45 12.084 26.607 7.754 1.00 0.00 N ATOM 690 CA ASN A 45 10.718 27.074 7.956 1.00 0.00 C ATOM 691 C ASN A 45 9.971 27.218 6.630 1.00 0.00 C ATOM 692 O ASN A 45 9.150 28.118 6.468 1.00 0.00 O ATOM 693 CB ASN A 45 10.732 28.419 8.682 1.00 0.00 C ATOM 694 CG ASN A 45 11.333 28.256 10.074 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.400 29.217 10.842 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.781 27.088 10.445 1.00 0.00 N ATOM 0 H ASN A 45 12.323 25.760 8.270 1.00 0.00 H new ATOM 0 HA ASN A 45 10.198 26.331 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.311 29.144 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.718 28.810 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.188 26.969 11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.724 26.294 9.807 1.00 0.00 H new ATOM 703 N GLN A 46 10.270 26.339 5.681 1.00 0.00 N ATOM 704 CA GLN A 46 9.622 26.392 4.371 1.00 0.00 C ATOM 705 C GLN A 46 9.759 27.792 3.775 1.00 0.00 C ATOM 706 O GLN A 46 8.802 28.367 3.256 1.00 0.00 O ATOM 707 CB GLN A 46 8.132 26.010 4.447 1.00 0.00 C ATOM 708 CG GLN A 46 7.740 25.512 5.841 1.00 0.00 C ATOM 709 CD GLN A 46 7.066 26.643 6.599 1.00 0.00 C ATOM 710 OE1 GLN A 46 7.600 27.088 7.697 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 6.023 27.140 6.169 1.00 0.00 N flip ATOM 0 H GLN A 46 10.950 25.587 5.789 1.00 0.00 H new ATOM 0 HA GLN A 46 10.122 25.664 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.522 26.875 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.918 25.235 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.066 24.659 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.623 25.171 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.608 26.787 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.575 27.904 6.675 1.00 0.00 H new ATOM 720 N LEU A 47 10.966 28.326 3.860 1.00 0.00 N ATOM 721 CA LEU A 47 11.247 29.653 3.336 1.00 0.00 C ATOM 722 C LEU A 47 10.336 29.984 2.153 1.00 0.00 C ATOM 723 O LEU A 47 9.679 31.025 2.140 1.00 0.00 O ATOM 724 CB LEU A 47 12.707 29.730 2.888 1.00 0.00 C ATOM 725 CG LEU A 47 13.558 30.320 4.017 1.00 0.00 C ATOM 726 CD1 LEU A 47 15.035 30.036 3.749 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.339 31.834 4.087 1.00 0.00 C ATOM 0 H LEU A 47 11.767 27.861 4.287 1.00 0.00 H new ATOM 0 HA LEU A 47 11.061 30.378 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.071 28.737 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.792 30.347 1.994 1.00 0.00 H new ATOM 0 HG LEU A 47 13.265 29.864 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.638 30.457 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.195 28.959 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.327 30.489 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.945 32.253 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.629 32.288 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.286 32.041 4.281 1.00 0.00 H new ATOM 739 N ASP A 48 10.327 29.114 1.147 1.00 0.00 N ATOM 740 CA ASP A 48 9.522 29.350 -0.053 1.00 0.00 C ATOM 741 C ASP A 48 8.028 29.464 0.264 1.00 0.00 C ATOM 742 O ASP A 48 7.375 30.447 -0.109 1.00 0.00 O ATOM 743 CB ASP A 48 9.717 28.196 -1.042 1.00 0.00 C ATOM 744 CG ASP A 48 11.188 28.049 -1.408 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.997 28.756 -0.832 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.486 27.229 -2.262 1.00 0.00 O1- ATOM 0 H ASP A 48 10.862 28.246 1.136 1.00 0.00 H new ATOM 0 HA ASP A 48 9.858 30.294 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.351 27.268 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.129 28.377 -1.942 1.00 0.00 H new ATOM 751 N LEU A 49 7.482 28.454 0.930 1.00 0.00 N ATOM 752 CA LEU A 49 6.060 28.465 1.250 1.00 0.00 C ATOM 753 C LEU A 49 5.752 29.551 2.270 1.00 0.00 C ATOM 754 O LEU A 49 4.724 30.225 2.180 1.00 0.00 O ATOM 755 CB LEU A 49 5.628 27.103 1.787 1.00 0.00 C ATOM 756 CG LEU A 49 6.245 25.990 0.932 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.623 24.651 1.325 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.978 26.263 -0.551 1.00 0.00 C ATOM 0 H LEU A 49 7.991 27.631 1.254 1.00 0.00 H new ATOM 0 HA LEU A 49 5.503 28.676 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.943 26.994 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.541 27.024 1.774 1.00 0.00 H new ATOM 0 HG LEU A 49 7.322 25.960 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.058 23.856 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.820 24.454 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.547 24.687 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.419 25.468 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.903 26.297 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.422 27.219 -0.831 1.00 0.00 H new ATOM 770 N LEU A 50 6.639 29.703 3.251 1.00 0.00 N ATOM 771 CA LEU A 50 6.434 30.703 4.295 1.00 0.00 C ATOM 772 C LEU A 50 6.294 32.076 3.651 1.00 0.00 C ATOM 773 O LEU A 50 5.408 32.851 4.006 1.00 0.00 O ATOM 774 CB LEU A 50 7.632 30.703 5.262 1.00 0.00 C ATOM 775 CG LEU A 50 7.238 31.337 6.606 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.472 31.419 7.510 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.683 32.747 6.385 1.00 0.00 C ATOM 0 H LEU A 50 7.494 29.155 3.345 1.00 0.00 H new ATOM 0 HA LEU A 50 5.528 30.466 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.978 29.682 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.462 31.255 4.822 1.00 0.00 H new ATOM 0 HG LEU A 50 6.471 30.721 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.195 31.868 8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.865 30.417 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.235 32.030 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.408 33.184 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.443 33.366 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.803 32.695 5.744 1.00 0.00 H new ATOM 789 N HIS A 51 7.162 32.365 2.692 1.00 0.00 N ATOM 790 CA HIS A 51 7.122 33.641 1.999 1.00 0.00 C ATOM 791 C HIS A 51 5.769 33.868 1.336 1.00 0.00 C ATOM 792 O HIS A 51 5.195 34.951 1.447 1.00 0.00 O ATOM 793 CB HIS A 51 8.206 33.688 0.921 1.00 0.00 C ATOM 794 CG HIS A 51 9.568 33.757 1.553 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.665 34.244 0.864 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.027 33.418 2.801 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.721 34.190 1.694 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.388 33.695 2.888 1.00 0.00 N ATOM 0 H HIS A 51 7.900 31.734 2.378 1.00 0.00 H new ATOM 0 HA HIS A 51 7.292 34.422 2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.136 32.804 0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.052 34.555 0.278 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.671 34.582 -0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.424 33.000 3.594 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.718 34.508 1.427 1.00 0.00 H new ATOM 807 N LYS A 52 5.266 32.854 0.637 1.00 0.00 N ATOM 808 CA LYS A 52 3.981 32.999 -0.038 1.00 0.00 C ATOM 809 C LYS A 52 2.896 33.292 0.978 1.00 0.00 C ATOM 810 O LYS A 52 2.111 34.226 0.814 1.00 0.00 O ATOM 811 CB LYS A 52 3.637 31.727 -0.812 1.00 0.00 C ATOM 812 CG LYS A 52 4.673 31.525 -1.911 1.00 0.00 C ATOM 813 CD LYS A 52 4.321 30.290 -2.735 1.00 0.00 C ATOM 814 CE LYS A 52 5.471 29.999 -3.696 1.00 0.00 C ATOM 815 NZ LYS A 52 4.933 29.444 -4.965 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.715 31.945 0.525 1.00 0.00 H new ATOM 0 HA LYS A 52 4.049 33.828 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.627 30.868 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.639 31.806 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.710 32.404 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.664 31.410 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.150 29.435 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.398 30.456 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.031 30.912 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.166 29.291 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.718 29.247 -5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.417 28.563 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.287 30.134 -5.399 1.00 0.00 H new ATOM 829 N TRP A 53 2.870 32.504 2.039 1.00 0.00 N ATOM 830 CA TRP A 53 1.889 32.707 3.089 1.00 0.00 C ATOM 831 C TRP A 53 2.003 34.133 3.607 1.00 0.00 C ATOM 832 O TRP A 53 1.025 34.879 3.660 1.00 0.00 O ATOM 833 CB TRP A 53 2.156 31.716 4.222 1.00 0.00 C ATOM 834 CG TRP A 53 1.019 31.700 5.188 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.070 30.899 5.098 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.852 32.487 6.399 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.887 31.133 6.189 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.363 32.105 7.019 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.631 33.482 7.016 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.787 32.687 8.213 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.206 34.074 8.215 1.00 0.00 C ATOM 842 CH2 TRP A 53 0.000 33.675 8.815 1.00 0.00 C ATOM 0 H TRP A 53 3.510 31.725 2.195 1.00 0.00 H new ATOM 0 HA TRP A 53 0.884 32.545 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.304 30.717 3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.076 31.987 4.740 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.268 30.194 4.304 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.768 30.648 6.360 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.562 33.792 6.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.716 32.378 8.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.809 34.840 8.679 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.320 34.131 9.741 1.00 0.00 H new ATOM 853 N LEU A 54 3.216 34.508 3.977 1.00 0.00 N ATOM 854 CA LEU A 54 3.456 35.845 4.481 1.00 0.00 C ATOM 855 C LEU A 54 3.013 36.887 3.451 1.00 0.00 C ATOM 856 O LEU A 54 2.250 37.794 3.777 1.00 0.00 O ATOM 857 CB LEU A 54 4.939 36.025 4.798 1.00 0.00 C ATOM 858 CG LEU A 54 5.142 37.365 5.493 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.671 37.270 6.945 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.623 37.747 5.452 1.00 0.00 C ATOM 0 H LEU A 54 4.041 33.910 3.938 1.00 0.00 H new ATOM 0 HA LEU A 54 2.877 35.984 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.288 35.214 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.527 35.984 3.881 1.00 0.00 H new ATOM 0 HG LEU A 54 4.560 38.130 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.818 38.231 7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.613 37.008 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.246 36.503 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.765 38.706 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.210 36.983 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.950 37.824 4.415 1.00 0.00 H new ATOM 872 N ASP A 55 3.489 36.758 2.209 1.00 0.00 N ATOM 873 CA ASP A 55 3.121 37.714 1.163 1.00 0.00 C ATOM 874 C ASP A 55 1.608 37.845 1.046 1.00 0.00 C ATOM 875 O ASP A 55 1.086 38.947 0.876 1.00 0.00 O ATOM 876 CB ASP A 55 3.681 37.274 -0.195 1.00 0.00 C ATOM 877 CG ASP A 55 5.187 37.521 -0.269 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.678 38.315 0.516 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.822 36.918 -1.120 1.00 0.00 O ATOM 0 H ASP A 55 4.119 36.015 1.907 1.00 0.00 H new ATOM 0 HA ASP A 55 3.546 38.678 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.474 36.216 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.179 37.820 -0.994 1.00 0.00 H new ATOM 884 N ARG A 56 0.908 36.717 1.117 1.00 0.00 N ATOM 885 CA ARG A 56 -0.545 36.715 0.994 1.00 0.00 C ATOM 886 C ARG A 56 -1.232 37.504 2.106 1.00 0.00 C ATOM 887 O ARG A 56 -2.283 38.102 1.886 1.00 0.00 O ATOM 888 CB ARG A 56 -1.068 35.281 1.019 1.00 0.00 C ATOM 889 CG ARG A 56 -2.527 35.285 0.577 1.00 0.00 C ATOM 890 CD ARG A 56 -2.601 35.470 -0.938 1.00 0.00 C ATOM 891 NE ARG A 56 -3.517 36.554 -1.259 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.700 36.950 -2.513 1.00 0.00 C ATOM 893 NH1 ARG A 56 -3.054 36.368 -3.490 1.00 0.00 N ATOM 894 NH2 ARG A 56 -4.529 37.923 -2.769 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.322 35.796 1.259 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.778 37.197 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.474 34.651 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.978 34.863 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.007 34.349 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.068 36.088 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.610 35.690 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.936 34.547 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.027 37.018 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.406 35.606 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.198 36.676 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.034 38.377 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.673 38.231 -3.731 1.00 0.00 H new ATOM 908 N HIS A 57 -0.660 37.490 3.301 1.00 0.00 N ATOM 909 CA HIS A 57 -1.265 38.198 4.420 1.00 0.00 C ATOM 910 C HIS A 57 -0.429 39.407 4.828 1.00 0.00 C ATOM 911 O HIS A 57 -0.561 39.901 5.939 1.00 0.00 O ATOM 912 CB HIS A 57 -1.408 37.255 5.618 1.00 0.00 C ATOM 913 CG HIS A 57 -2.088 35.977 5.191 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.405 35.942 4.755 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.642 34.677 5.140 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.701 34.659 4.463 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.662 33.849 4.678 1.00 0.00 N ATOM 0 H HIS A 57 0.210 37.004 3.520 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.247 38.548 4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.426 37.032 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.986 37.739 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.651 34.348 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.662 34.327 4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.623 32.840 4.535 1.00 0.00 H new ATOM 926 N ARG A 58 0.432 39.876 3.927 1.00 0.00 N ATOM 927 CA ARG A 58 1.281 41.026 4.224 1.00 0.00 C ATOM 928 C ARG A 58 0.448 42.243 4.627 1.00 0.00 C ATOM 929 O ARG A 58 0.853 43.025 5.483 1.00 0.00 O ATOM 930 CB ARG A 58 2.126 41.365 3.003 1.00 0.00 C ATOM 931 CG ARG A 58 1.216 41.852 1.875 1.00 0.00 C ATOM 932 CD ARG A 58 2.013 41.906 0.573 1.00 0.00 C ATOM 933 NE ARG A 58 3.316 42.515 0.810 1.00 0.00 N ATOM 934 CZ ARG A 58 4.377 42.153 0.094 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.236 41.323 -0.904 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.556 42.638 0.376 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.559 39.482 2.995 1.00 0.00 H new ATOM 0 HA ARG A 58 1.927 40.765 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.856 42.135 3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.686 40.488 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.363 41.182 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.818 42.839 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.140 40.900 0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.465 42.479 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 58 3.415 43.227 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.313 40.953 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.048 41.044 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.665 43.296 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.368 42.358 -0.175 1.00 0.00 H new ATOM 950 N ASP A 59 -0.718 42.386 4.002 1.00 0.00 N ATOM 951 CA ASP A 59 -1.609 43.506 4.299 1.00 0.00 C ATOM 952 C ASP A 59 -1.962 43.513 5.788 1.00 0.00 C ATOM 953 O ASP A 59 -2.130 44.568 6.401 1.00 0.00 O ATOM 954 CB ASP A 59 -2.886 43.392 3.456 1.00 0.00 C ATOM 955 CG ASP A 59 -3.667 44.701 3.499 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.351 45.528 4.333 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.574 44.857 2.696 1.00 0.00 O ATOM 0 H ASP A 59 -1.067 41.744 3.290 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.103 44.439 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.629 43.148 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.506 42.578 3.831 1.00 0.00 H new ATOM 962 N MET A 60 -2.074 42.317 6.357 1.00 0.00 N ATOM 963 CA MET A 60 -2.412 42.175 7.771 1.00 0.00 C ATOM 964 C MET A 60 -1.362 42.846 8.653 1.00 0.00 C ATOM 965 O MET A 60 -1.660 43.289 9.756 1.00 0.00 O ATOM 966 CB MET A 60 -2.537 40.692 8.145 1.00 0.00 C ATOM 967 CG MET A 60 -1.147 40.085 8.382 1.00 0.00 C ATOM 968 SD MET A 60 -0.813 39.991 10.164 1.00 0.00 S ATOM 969 CE MET A 60 -1.422 38.311 10.478 1.00 0.00 C ATOM 0 H MET A 60 -1.937 41.435 5.864 1.00 0.00 H new ATOM 0 HA MET A 60 -3.370 42.667 7.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.146 40.586 9.043 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.047 40.150 7.348 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.094 39.090 7.940 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.386 40.692 7.892 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.298 38.071 11.534 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.478 38.251 10.214 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.856 37.600 9.875 1.00 0.00 H new ATOM 979 N CYS A 61 -0.137 42.911 8.160 1.00 0.00 N ATOM 980 CA CYS A 61 0.959 43.513 8.913 1.00 0.00 C ATOM 981 C CYS A 61 0.674 44.982 9.239 1.00 0.00 C ATOM 982 O CYS A 61 1.168 45.511 10.236 1.00 0.00 O ATOM 983 CB CYS A 61 2.248 43.397 8.097 1.00 0.00 C ATOM 984 SG CYS A 61 2.274 44.670 6.809 1.00 0.00 S ATOM 0 H CYS A 61 0.127 42.555 7.241 1.00 0.00 H new ATOM 0 HA CYS A 61 1.066 42.981 9.858 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.114 43.509 8.750 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.315 42.407 7.645 1.00 0.00 H new ATOM 0 HG CYS A 61 3.450 45.223 6.769 1.00 0.00 H new ATOM 990 N GLU A 62 -0.115 45.634 8.393 1.00 0.00 N ATOM 991 CA GLU A 62 -0.453 47.039 8.599 1.00 0.00 C ATOM 992 C GLU A 62 -1.511 47.201 9.693 1.00 0.00 C ATOM 993 O GLU A 62 -1.757 48.312 10.163 1.00 0.00 O ATOM 994 CB GLU A 62 -0.975 47.644 7.296 1.00 0.00 C ATOM 995 CG GLU A 62 0.110 47.567 6.221 1.00 0.00 C ATOM 996 CD GLU A 62 1.206 48.587 6.508 1.00 0.00 C ATOM 997 OE1 GLU A 62 1.011 49.403 7.395 1.00 0.00 O ATOM 998 OE2 GLU A 62 2.218 48.548 5.828 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.531 45.215 7.561 1.00 0.00 H new ATOM 0 HA GLU A 62 0.452 47.559 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.866 47.109 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.268 48.681 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.535 46.564 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.325 47.756 5.240 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.141 46.094 10.079 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.184 46.127 11.103 1.00 0.00 C ATOM 1007 C LYS A 63 -2.590 46.126 12.509 1.00 0.00 C ATOM 1008 O LYS A 63 -3.280 45.804 13.477 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.093 44.905 10.962 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.913 44.999 9.674 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.809 43.765 9.564 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.476 43.727 8.187 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.490 42.638 8.164 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.949 45.166 9.701 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.752 47.046 10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.492 43.996 10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.760 44.838 11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.519 45.905 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.251 45.062 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.219 42.861 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.569 43.786 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.949 44.685 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.728 43.560 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.946 42.608 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.025 41.727 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.208 42.817 8.894 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.326 46.511 12.628 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.689 46.565 13.938 1.00 0.00 C ATOM 1029 C TRP A 64 0.591 47.382 13.882 1.00 0.00 C ATOM 1030 O TRP A 64 0.949 48.056 14.849 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.348 45.162 14.462 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.000 44.108 13.632 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.746 43.875 12.325 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.998 43.129 14.039 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.510 42.799 11.909 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.305 42.313 12.927 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.657 42.873 15.255 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.236 41.279 13.015 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.597 41.834 15.348 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.884 41.038 14.228 1.00 0.00 C ATOM 0 H TRP A 64 -0.729 46.786 11.848 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.403 47.035 14.614 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.733 45.020 14.454 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.674 45.068 15.498 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.060 44.436 11.707 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.488 42.412 10.965 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.439 43.479 16.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.454 40.669 12.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.101 41.647 16.285 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.606 40.239 14.305 1.00 0.00 H new ATOM 1051 N LYS A 65 1.299 47.297 12.762 1.00 0.00 N ATOM 1052 CA LYS A 65 2.553 48.013 12.630 1.00 0.00 C ATOM 1053 C LYS A 65 3.507 47.565 13.743 1.00 0.00 C ATOM 1054 O LYS A 65 4.682 47.925 13.754 1.00 0.00 O ATOM 1055 CB LYS A 65 2.294 49.521 12.707 1.00 0.00 C ATOM 1056 CG LYS A 65 3.548 50.299 12.302 1.00 0.00 C ATOM 1057 CD LYS A 65 3.504 50.592 10.801 1.00 0.00 C ATOM 1058 CE LYS A 65 2.399 51.608 10.507 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.361 50.971 9.646 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.028 46.748 11.946 1.00 0.00 H new ATOM 0 HA LYS A 65 3.011 47.793 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.465 49.788 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.000 49.795 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.608 51.231 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.441 49.723 12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.467 50.980 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.322 49.672 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.952 51.956 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.816 52.482 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.860 51.705 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.816 50.306 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.682 50.457 10.243 1.00 0.00 H new ATOM 1073 N SER A 66 2.986 46.743 14.661 1.00 0.00 N ATOM 1074 CA SER A 66 3.787 46.210 15.758 1.00 0.00 C ATOM 1075 C SER A 66 4.433 44.900 15.326 1.00 0.00 C ATOM 1076 O SER A 66 4.185 44.417 14.222 1.00 0.00 O ATOM 1077 CB SER A 66 2.918 45.979 16.993 1.00 0.00 C ATOM 1078 OG SER A 66 1.875 45.069 16.669 1.00 0.00 O ATOM 0 H SER A 66 2.014 46.435 14.662 1.00 0.00 H new ATOM 0 HA SER A 66 4.563 46.932 16.012 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.523 45.582 17.808 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.498 46.924 17.338 1.00 0.00 H new ATOM 0 HG SER A 66 1.124 45.200 17.285 1.00 0.00 H new ATOM 1084 N LYS A 67 5.278 44.340 16.176 1.00 0.00 N ATOM 1085 CA LYS A 67 5.956 43.100 15.824 1.00 0.00 C ATOM 1086 C LYS A 67 5.506 41.904 16.674 1.00 0.00 C ATOM 1087 O LYS A 67 5.149 40.859 16.133 1.00 0.00 O ATOM 1088 CB LYS A 67 7.465 43.302 15.955 1.00 0.00 C ATOM 1089 CG LYS A 67 8.186 41.989 15.668 1.00 0.00 C ATOM 1090 CD LYS A 67 9.698 42.209 15.792 1.00 0.00 C ATOM 1091 CE LYS A 67 10.456 40.994 15.239 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.551 39.812 15.199 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.509 44.713 17.097 1.00 0.00 H new ATOM 0 HA LYS A 67 5.689 42.861 14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.800 44.072 15.260 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.709 43.650 16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.859 41.220 16.368 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.938 41.635 14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.988 43.107 15.247 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.965 42.369 16.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.830 41.211 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.323 40.779 15.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.116 38.946 15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.008 39.761 16.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.896 39.903 14.396 1.00 0.00 H new ATOM 1106 N GLU A 68 5.554 42.039 17.995 1.00 0.00 N ATOM 1107 CA GLU A 68 5.177 40.928 18.874 1.00 0.00 C ATOM 1108 C GLU A 68 3.708 40.524 18.704 1.00 0.00 C ATOM 1109 O GLU A 68 3.376 39.339 18.764 1.00 0.00 O ATOM 1110 CB GLU A 68 5.441 41.303 20.336 1.00 0.00 C ATOM 1111 CG GLU A 68 6.944 41.495 20.546 1.00 0.00 C ATOM 1112 CD GLU A 68 7.244 41.721 22.022 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.305 41.768 22.800 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.412 41.836 22.354 1.00 0.00 O ATOM 0 H GLU A 68 5.844 42.889 18.478 1.00 0.00 H new ATOM 0 HA GLU A 68 5.790 40.072 18.592 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.907 42.218 20.591 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.067 40.521 20.997 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.484 40.618 20.188 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.295 42.346 19.962 1.00 0.00 H new ATOM 1121 N ASP A 69 2.833 41.498 18.502 1.00 0.00 N ATOM 1122 CA ASP A 69 1.410 41.197 18.341 1.00 0.00 C ATOM 1123 C ASP A 69 1.156 40.392 17.065 1.00 0.00 C ATOM 1124 O ASP A 69 0.402 39.413 17.074 1.00 0.00 O ATOM 1125 CB ASP A 69 0.601 42.497 18.310 1.00 0.00 C ATOM 1126 CG ASP A 69 0.728 43.218 19.650 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.958 42.548 20.644 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.601 44.432 19.661 1.00 0.00 O1- ATOM 0 H ASP A 69 3.072 42.488 18.446 1.00 0.00 H new ATOM 0 HA ASP A 69 1.092 40.593 19.191 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.959 43.140 17.506 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.447 42.279 18.102 1.00 0.00 H new ATOM 1133 N ILE A 70 1.790 40.798 15.968 1.00 0.00 N ATOM 1134 CA ILE A 70 1.610 40.089 14.703 1.00 0.00 C ATOM 1135 C ILE A 70 2.097 38.650 14.832 1.00 0.00 C ATOM 1136 O ILE A 70 1.472 37.722 14.316 1.00 0.00 O ATOM 1137 CB ILE A 70 2.383 40.773 13.571 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.973 42.246 13.473 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.046 40.075 12.250 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.895 42.964 12.482 1.00 0.00 C ATOM 0 H ILE A 70 2.421 41.598 15.927 1.00 0.00 H new ATOM 0 HA ILE A 70 0.546 40.103 14.466 1.00 0.00 H new ATOM 0 HB ILE A 70 3.452 40.709 13.773 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.936 42.326 13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.035 42.719 14.453 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.591 40.554 11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.332 39.025 12.310 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.975 40.149 12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.606 44.012 12.410 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.926 42.895 12.829 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.810 42.496 11.501 1.00 0.00 H new ATOM 1152 N LEU A 71 3.219 38.470 15.521 1.00 0.00 N ATOM 1153 CA LEU A 71 3.784 37.141 15.714 1.00 0.00 C ATOM 1154 C LEU A 71 2.789 36.221 16.403 1.00 0.00 C ATOM 1155 O LEU A 71 2.658 35.052 16.041 1.00 0.00 O ATOM 1156 CB LEU A 71 5.053 37.238 16.561 1.00 0.00 C ATOM 1157 CG LEU A 71 6.166 37.917 15.760 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.392 38.097 16.656 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.542 37.040 14.561 1.00 0.00 C ATOM 0 H LEU A 71 3.752 39.224 15.953 1.00 0.00 H new ATOM 0 HA LEU A 71 4.022 36.726 14.734 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.851 37.804 17.470 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.371 36.242 16.870 1.00 0.00 H new ATOM 0 HG LEU A 71 5.820 38.888 15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.188 38.580 16.090 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.128 38.716 17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.734 37.123 17.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.335 37.524 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.890 36.070 14.915 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.669 36.902 13.923 1.00 0.00 H new ATOM 1171 N HIS A 72 2.092 36.751 17.397 1.00 0.00 N ATOM 1172 CA HIS A 72 1.116 35.960 18.130 1.00 0.00 C ATOM 1173 C HIS A 72 0.021 35.480 17.193 1.00 0.00 C ATOM 1174 O HIS A 72 -0.434 34.338 17.280 1.00 0.00 O ATOM 1175 CB HIS A 72 0.508 36.793 19.255 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.572 35.998 19.935 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.806 36.546 20.248 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.621 34.695 20.367 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.539 35.586 20.841 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.864 34.437 20.938 1.00 0.00 N ATOM 0 H HIS A 72 2.183 37.717 17.712 1.00 0.00 H new ATOM 0 HA HIS A 72 1.618 35.093 18.560 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.278 37.071 19.974 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.096 37.720 18.855 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.183 33.979 20.277 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.549 35.727 21.195 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.190 33.559 21.343 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.381 36.353 16.279 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.408 35.992 15.313 1.00 0.00 C ATOM 1191 C LYS A 73 -0.922 34.831 14.458 1.00 0.00 C ATOM 1192 O LYS A 73 -1.639 33.853 14.260 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.734 37.173 14.404 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.113 38.403 15.236 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.387 38.149 16.054 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.546 37.734 15.134 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.711 36.250 15.170 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.018 37.302 16.187 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.306 35.705 15.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.874 37.403 13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.556 36.910 13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.292 38.659 15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.265 39.258 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.203 37.367 16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.657 39.050 16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.468 38.220 15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.349 38.063 14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.706 36.007 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.110 35.816 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.432 35.892 16.106 1.00 0.00 H new ATOM 1211 N LEU A 74 0.301 34.949 13.945 1.00 0.00 N ATOM 1212 CA LEU A 74 0.854 33.892 13.109 1.00 0.00 C ATOM 1213 C LEU A 74 0.883 32.570 13.864 1.00 0.00 C ATOM 1214 O LEU A 74 0.577 31.528 13.291 1.00 0.00 O ATOM 1215 CB LEU A 74 2.272 34.241 12.642 1.00 0.00 C ATOM 1216 CG LEU A 74 2.206 35.200 11.451 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.942 36.624 11.941 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.533 35.158 10.684 1.00 0.00 C ATOM 0 H LEU A 74 0.916 35.750 14.091 1.00 0.00 H new ATOM 0 HA LEU A 74 0.210 33.795 12.235 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.831 34.699 13.458 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.805 33.333 12.360 1.00 0.00 H new ATOM 0 HG LEU A 74 1.394 34.894 10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.897 37.300 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.994 36.654 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.747 36.935 12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.485 35.841 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.345 35.458 11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.713 34.145 10.324 1.00 0.00 H new ATOM 1230 N ASN A 75 1.239 32.608 15.149 1.00 0.00 N ATOM 1231 CA ASN A 75 1.283 31.376 15.934 1.00 0.00 C ATOM 1232 C ASN A 75 -0.080 30.684 15.915 1.00 0.00 C ATOM 1233 O ASN A 75 -0.168 29.478 15.683 1.00 0.00 O ATOM 1234 CB ASN A 75 1.663 31.664 17.394 1.00 0.00 C ATOM 1235 CG ASN A 75 3.093 32.184 17.498 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.890 32.021 16.573 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.469 32.801 18.586 1.00 0.00 N ATOM 0 H ASN A 75 1.495 33.455 15.657 1.00 0.00 H new ATOM 0 HA ASN A 75 2.037 30.730 15.485 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.975 32.398 17.814 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.560 30.755 17.986 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.424 33.149 18.671 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.808 32.935 19.351 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.139 31.455 16.172 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.494 30.902 16.201 1.00 0.00 C ATOM 1246 C GLU A 76 -2.921 30.391 14.826 1.00 0.00 C ATOM 1247 O GLU A 76 -3.564 29.348 14.720 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.484 31.970 16.674 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.106 32.427 18.083 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.112 33.460 18.583 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.929 33.894 17.788 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -4.046 33.805 19.752 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.085 32.456 16.362 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.494 30.061 16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.474 32.819 15.990 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.498 31.569 16.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.084 31.572 18.758 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.104 32.855 18.079 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.553 31.119 13.776 1.00 0.00 N ATOM 1260 CA GLN A 77 -2.910 30.704 12.424 1.00 0.00 C ATOM 1261 C GLN A 77 -2.117 29.465 12.023 1.00 0.00 C ATOM 1262 O GLN A 77 -2.639 28.566 11.366 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.645 31.842 11.428 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.607 33.002 11.702 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.347 34.145 10.722 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.485 34.036 9.854 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.047 35.241 10.808 1.00 0.00 N ATOM 0 H GLN A 77 -2.017 31.985 13.832 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.973 30.462 12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.614 32.183 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.775 31.482 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.638 32.660 11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.481 33.355 12.726 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.763 35.333 11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.878 36.006 10.155 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.852 29.428 12.423 1.00 0.00 N ATOM 1277 CA TRP A 78 0.002 28.293 12.096 1.00 0.00 C ATOM 1278 C TRP A 78 -0.620 26.994 12.607 1.00 0.00 C ATOM 1279 O TRP A 78 -0.681 25.997 11.888 1.00 0.00 O ATOM 1280 CB TRP A 78 1.384 28.472 12.720 1.00 0.00 C ATOM 1281 CG TRP A 78 2.417 27.861 11.826 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.513 26.544 11.519 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.501 28.525 11.121 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.594 26.362 10.672 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.233 27.555 10.399 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.914 29.865 11.039 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.344 27.902 9.632 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.031 30.217 10.264 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.744 29.239 9.560 1.00 0.00 C ATOM 0 H TRP A 78 -0.399 30.161 12.968 1.00 0.00 H new ATOM 0 HA TRP A 78 0.100 28.242 11.012 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.595 29.531 12.866 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.415 28.002 13.703 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.855 25.765 11.876 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.882 25.458 10.297 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.370 30.629 11.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.893 27.142 9.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.342 31.250 10.211 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.600 29.517 8.963 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.076 27.021 13.857 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.696 25.849 14.476 1.00 0.00 C ATOM 1302 C ASN A 79 -2.998 25.489 13.778 1.00 0.00 C ATOM 1303 O ASN A 79 -3.314 24.315 13.581 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.987 26.148 15.945 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.692 26.448 16.686 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.445 26.328 16.062 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.718 26.798 17.866 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.029 27.841 14.462 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.007 25.009 14.388 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.665 26.998 16.023 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.489 25.297 16.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.611 26.891 18.351 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.153 26.995 18.359 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.750 26.517 13.419 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.029 26.336 12.752 1.00 0.00 C ATOM 1316 C LYS A 80 -4.832 26.151 11.254 1.00 0.00 C ATOM 1317 O LYS A 80 -5.793 26.006 10.498 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.907 27.550 13.033 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.260 27.562 14.520 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.226 28.706 14.805 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.656 28.216 14.591 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.555 29.386 14.380 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.494 27.491 13.580 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.515 25.439 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.384 28.467 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.814 27.509 12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.711 26.612 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.356 27.678 15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.099 29.060 15.828 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.015 29.549 14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.699 27.551 13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.988 27.640 15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.529 29.053 14.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.522 30.004 15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.242 29.918 13.543 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.573 26.149 10.838 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.242 25.967 9.435 1.00 0.00 C ATOM 1338 C ASP A 81 -4.243 25.035 8.761 1.00 0.00 C ATOM 1339 O ASP A 81 -5.160 25.536 8.133 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.835 25.387 9.317 1.00 0.00 C ATOM 1341 CG ASP A 81 -0.810 26.499 9.474 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.214 27.650 9.455 1.00 0.00 O ATOM 1343 OD2 ASP A 81 0.361 26.185 9.604 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.077 23.833 8.884 1.00 0.00 O ATOM 0 H ASP A 81 -2.767 26.271 11.452 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.284 26.935 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.680 24.625 10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.712 24.899 8.350 1.00 0.00 H new TER 1349 ASP A 81