USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 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= -1.75! C(o=-14!,f=-15!) USER MOD Set 1.2: A 30 GLN :FLIP amide:sc= -4.94! C(o=-23!,f=-14!) USER MOD Set 1.3: A 75 ASN : amide:sc= -7.47! C(o=-14!,f=-29!) USER MOD Set 2.1: A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0613) USER MOD Set 2.2: A 77 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -154:sc= 0.314 (180deg=-0.121) USER MOD Set 3.2: A 51 HIS : no HE2:sc= -7.37! C(o=-7.1!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= -1.93! (180deg=-4.96!) USER MOD Single : A 5 SER OG : rot -40:sc= 0.955 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.439 F(o=-2.6!,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 150:sc= -1.31 USER MOD Single : A 15 ASN : amide:sc= -0.44 K(o=-0.44,f=-2!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.821 F(o=-1.4,f=-0.82) USER MOD Single : A 19 GLN : amide:sc= -7.31! C(o=-7.3!,f=-12!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -1.36 (180deg=-2.14!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.198 (180deg=-0.672) USER MOD Single : A 38 THR OG1 : rot 159:sc= 0.878 USER MOD Single : A 39 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 168:sc= -0.94 (180deg=-1.17) USER MOD Single : A 45 ASN :FLIP amide:sc= -15.4! C(o=-18!,f=-15!) USER MOD Single : A 46 GLN :FLIP amide:sc= -1.56! C(o=-5.9!,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0.0867 (180deg=0.0823) USER MOD Single : A 57 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.029) USER MOD Single : A 61 CYS SG : rot -46:sc= -10.8! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= -1.19 (180deg=-3.33!) USER MOD Single : A 66 SER OG : rot -161:sc= -2.81 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -1.73 (180deg=-3.56!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -4.4! C(o=-9.3!,f=-4.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.049 60.522 0.113 1.00 0.00 N ATOM 2 CA GLY A 1 -1.455 60.343 -0.351 1.00 0.00 C ATOM 3 C GLY A 1 -1.742 58.858 -0.529 1.00 0.00 C ATOM 4 O GLY A 1 -2.708 58.330 0.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.027 61.200 0.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.330 59.608 0.432 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.532 60.883 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.146 60.774 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.609 60.870 -1.293 1.00 0.00 H new ATOM 10 N PRO A 2 -0.915 58.184 -1.281 1.00 0.00 N ATOM 11 CA PRO A 2 -1.050 56.735 -1.550 1.00 0.00 C ATOM 12 C PRO A 2 -0.245 55.900 -0.556 1.00 0.00 C ATOM 13 O PRO A 2 -0.532 54.723 -0.338 1.00 0.00 O ATOM 14 CB PRO A 2 -0.488 56.605 -2.968 1.00 0.00 C ATOM 15 CG PRO A 2 0.449 57.769 -3.156 1.00 0.00 C ATOM 16 CD PRO A 2 0.250 58.729 -1.974 1.00 0.00 C ATOM 0 HA PRO A 2 -2.074 56.374 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.037 55.658 -3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.288 56.626 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.482 57.424 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.243 58.276 -4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.126 58.754 -1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.074 59.750 -2.312 1.00 0.00 H new ATOM 24 N LEU A 3 0.755 56.528 0.055 1.00 0.00 N ATOM 25 CA LEU A 3 1.589 55.851 1.042 1.00 0.00 C ATOM 26 C LEU A 3 0.944 55.945 2.420 1.00 0.00 C ATOM 27 O LEU A 3 0.892 54.967 3.165 1.00 0.00 O ATOM 28 CB LEU A 3 2.974 56.498 1.089 1.00 0.00 C ATOM 29 CG LEU A 3 3.698 56.269 -0.242 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.931 57.174 -0.315 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.139 54.805 -0.338 1.00 0.00 C ATOM 0 H LEU A 3 1.007 57.502 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 3 1.688 54.804 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.880 57.566 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.556 56.075 1.908 1.00 0.00 H new ATOM 0 HG LEU A 3 3.024 56.503 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.446 57.011 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.622 58.217 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.604 56.939 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.654 54.641 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.813 54.573 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.264 54.157 -0.284 1.00 0.00 H new ATOM 43 N GLY A 4 0.453 57.137 2.746 1.00 0.00 N ATOM 44 CA GLY A 4 -0.190 57.371 4.033 1.00 0.00 C ATOM 45 C GLY A 4 0.437 56.511 5.122 1.00 0.00 C ATOM 46 O GLY A 4 1.578 56.064 4.998 1.00 0.00 O ATOM 0 H GLY A 4 0.488 57.954 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.102 58.424 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.254 57.149 3.957 1.00 0.00 H new ATOM 50 N SER A 5 -0.315 56.284 6.192 1.00 0.00 N ATOM 51 CA SER A 5 0.178 55.477 7.300 1.00 0.00 C ATOM 52 C SER A 5 0.215 54.000 6.919 1.00 0.00 C ATOM 53 O SER A 5 0.509 53.145 7.756 1.00 0.00 O ATOM 54 CB SER A 5 -0.714 55.668 8.526 1.00 0.00 C ATOM 55 OG SER A 5 -0.167 54.946 9.622 1.00 0.00 O ATOM 0 H SER A 5 -1.261 56.644 6.315 1.00 0.00 H new ATOM 0 HA SER A 5 1.191 55.803 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.789 56.727 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.724 55.318 8.313 1.00 0.00 H new ATOM 0 HG SER A 5 0.170 54.081 9.308 1.00 0.00 H new ATOM 61 N MET A 6 -0.080 53.700 5.655 1.00 0.00 N ATOM 62 CA MET A 6 -0.067 52.314 5.196 1.00 0.00 C ATOM 63 C MET A 6 1.178 52.024 4.362 1.00 0.00 C ATOM 64 O MET A 6 1.293 50.950 3.771 1.00 0.00 O ATOM 65 CB MET A 6 -1.330 51.981 4.385 1.00 0.00 C ATOM 66 CG MET A 6 -1.657 53.101 3.391 1.00 0.00 C ATOM 67 SD MET A 6 -3.458 53.229 3.224 1.00 0.00 S ATOM 68 CE MET A 6 -3.503 53.967 1.573 1.00 0.00 C ATOM 0 H MET A 6 -0.327 54.386 4.942 1.00 0.00 H new ATOM 0 HA MET A 6 -0.050 51.680 6.083 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.184 51.044 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.172 51.833 5.061 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.242 54.047 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.202 52.891 2.423 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.539 54.130 1.276 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.974 54.920 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.023 53.296 0.861 1.00 0.00 H new ATOM 78 N ASN A 7 2.111 52.980 4.323 1.00 0.00 N ATOM 79 CA ASN A 7 3.346 52.798 3.560 1.00 0.00 C ATOM 80 C ASN A 7 3.652 51.316 3.393 1.00 0.00 C ATOM 81 O ASN A 7 3.656 50.559 4.364 1.00 0.00 O ATOM 82 CB ASN A 7 4.518 53.480 4.270 1.00 0.00 C ATOM 83 CG ASN A 7 5.811 53.223 3.499 1.00 0.00 C ATOM 84 OD1 ASN A 7 6.021 53.836 2.364 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 6.653 52.438 3.940 1.00 0.00 N flip ATOM 0 H ASN A 7 2.036 53.876 4.805 1.00 0.00 H new ATOM 0 HA ASN A 7 3.209 53.250 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.336 54.552 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.609 53.100 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.490 51.959 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.513 52.267 3.419 1.00 0.00 H new ATOM 92 N LYS A 8 3.898 50.907 2.157 1.00 0.00 N ATOM 93 CA LYS A 8 4.192 49.513 1.871 1.00 0.00 C ATOM 94 C LYS A 8 5.626 49.170 2.244 1.00 0.00 C ATOM 95 O LYS A 8 6.505 50.032 2.242 1.00 0.00 O ATOM 96 CB LYS A 8 3.974 49.236 0.385 1.00 0.00 C ATOM 97 CG LYS A 8 2.505 49.485 0.040 1.00 0.00 C ATOM 98 CD LYS A 8 2.252 49.146 -1.429 1.00 0.00 C ATOM 99 CE LYS A 8 2.042 47.639 -1.581 1.00 0.00 C ATOM 100 NZ LYS A 8 2.030 47.287 -3.028 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.900 51.518 1.340 1.00 0.00 H new ATOM 0 HA LYS A 8 3.522 48.893 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.616 49.880 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.246 48.207 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.864 48.877 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.249 50.527 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.375 49.683 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.097 49.468 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.837 47.096 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.102 47.342 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.887 46.262 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.257 47.796 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.937 47.557 -3.458 1.00 0.00 H new ATOM 114 N PHE A 9 5.849 47.904 2.565 1.00 0.00 N ATOM 115 CA PHE A 9 7.175 47.433 2.942 1.00 0.00 C ATOM 116 C PHE A 9 7.985 47.046 1.707 1.00 0.00 C ATOM 117 O PHE A 9 7.437 46.533 0.732 1.00 0.00 O ATOM 118 CB PHE A 9 7.039 46.240 3.889 1.00 0.00 C ATOM 119 CG PHE A 9 6.614 46.749 5.247 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.256 46.942 5.532 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.581 47.043 6.216 1.00 0.00 C ATOM 122 CE1 PHE A 9 4.867 47.427 6.787 1.00 0.00 C ATOM 123 CE2 PHE A 9 7.191 47.525 7.471 1.00 0.00 C ATOM 124 CZ PHE A 9 5.834 47.719 7.756 1.00 0.00 C ATOM 0 H PHE A 9 5.128 47.183 2.572 1.00 0.00 H new ATOM 0 HA PHE A 9 7.706 48.238 3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.305 45.533 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.987 45.707 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.510 46.717 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.628 46.898 5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.820 47.576 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.937 47.747 8.220 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.533 48.094 8.723 1.00 0.00 H new ATOM 134 N THR A 10 9.296 47.277 1.760 1.00 0.00 N ATOM 135 CA THR A 10 10.167 46.926 0.642 1.00 0.00 C ATOM 136 C THR A 10 10.621 45.480 0.785 1.00 0.00 C ATOM 137 O THR A 10 10.581 44.922 1.881 1.00 0.00 O ATOM 138 CB THR A 10 11.389 47.851 0.615 1.00 0.00 C ATOM 139 OG1 THR A 10 12.052 47.792 1.868 1.00 0.00 O ATOM 140 CG2 THR A 10 10.950 49.288 0.334 1.00 0.00 C ATOM 0 H THR A 10 9.773 47.701 2.556 1.00 0.00 H new ATOM 0 HA THR A 10 9.615 47.043 -0.290 1.00 0.00 H new ATOM 0 HB THR A 10 12.068 47.526 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.010 47.952 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.824 49.939 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.445 49.332 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.267 49.619 1.116 1.00 0.00 H new ATOM 148 N ASP A 11 11.052 44.870 -0.312 1.00 0.00 N ATOM 149 CA ASP A 11 11.503 43.485 -0.255 1.00 0.00 C ATOM 150 C ASP A 11 12.590 43.323 0.799 1.00 0.00 C ATOM 151 O ASP A 11 12.611 42.336 1.531 1.00 0.00 O ATOM 152 CB ASP A 11 12.034 43.042 -1.619 1.00 0.00 C ATOM 153 CG ASP A 11 10.880 42.908 -2.605 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.744 43.004 -2.171 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.148 42.708 -3.778 1.00 0.00 O ATOM 0 H ASP A 11 11.099 45.302 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 11 10.653 42.858 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.759 43.767 -1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.556 42.090 -1.524 1.00 0.00 H new ATOM 160 N ASP A 12 13.494 44.297 0.878 1.00 0.00 N ATOM 161 CA ASP A 12 14.572 44.232 1.857 1.00 0.00 C ATOM 162 C ASP A 12 14.006 44.290 3.271 1.00 0.00 C ATOM 163 O ASP A 12 14.381 43.496 4.131 1.00 0.00 O ATOM 164 CB ASP A 12 15.550 45.383 1.635 1.00 0.00 C ATOM 165 CG ASP A 12 16.201 45.245 0.265 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.985 44.226 -0.369 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.904 46.160 -0.132 1.00 0.00 O1- ATOM 0 H ASP A 12 13.501 45.127 0.286 1.00 0.00 H new ATOM 0 HA ASP A 12 15.103 43.288 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.027 46.337 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.313 45.380 2.413 1.00 0.00 H new ATOM 172 N GLU A 13 13.080 45.215 3.495 1.00 0.00 N ATOM 173 CA GLU A 13 12.446 45.344 4.799 1.00 0.00 C ATOM 174 C GLU A 13 11.629 44.093 5.075 1.00 0.00 C ATOM 175 O GLU A 13 11.579 43.589 6.197 1.00 0.00 O ATOM 176 CB GLU A 13 11.528 46.563 4.804 1.00 0.00 C ATOM 177 CG GLU A 13 12.371 47.838 4.740 1.00 0.00 C ATOM 178 CD GLU A 13 11.465 49.065 4.717 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.548 49.115 5.519 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.707 49.940 3.901 1.00 0.00 O ATOM 0 H GLU A 13 12.754 45.882 2.795 1.00 0.00 H new ATOM 0 HA GLU A 13 13.208 45.467 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.847 46.522 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.914 46.565 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.039 47.885 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.999 47.824 3.849 1.00 0.00 H new ATOM 187 N TRP A 14 10.996 43.599 4.022 1.00 0.00 N ATOM 188 CA TRP A 14 10.183 42.407 4.107 1.00 0.00 C ATOM 189 C TRP A 14 11.053 41.218 4.485 1.00 0.00 C ATOM 190 O TRP A 14 10.724 40.461 5.396 1.00 0.00 O ATOM 191 CB TRP A 14 9.523 42.184 2.751 1.00 0.00 C ATOM 192 CG TRP A 14 8.212 41.506 2.919 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.836 40.399 2.249 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.098 41.867 3.787 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.562 40.048 2.646 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.066 40.922 3.596 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.879 42.908 4.713 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.867 41.002 4.295 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.671 42.988 5.419 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.668 42.038 5.213 1.00 0.00 C ATOM 0 H TRP A 14 11.034 44.014 3.091 1.00 0.00 H new ATOM 0 HA TRP A 14 9.415 42.520 4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.383 43.140 2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.173 41.581 2.118 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.434 39.872 1.520 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.050 39.244 2.284 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.647 43.649 4.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.093 40.267 4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.515 43.789 6.126 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.740 42.103 5.762 1.00 0.00 H new ATOM 211 N ASN A 15 12.178 41.065 3.792 1.00 0.00 N ATOM 212 CA ASN A 15 13.097 39.975 4.085 1.00 0.00 C ATOM 213 C ASN A 15 13.491 40.016 5.552 1.00 0.00 C ATOM 214 O ASN A 15 13.601 38.983 6.212 1.00 0.00 O ATOM 215 CB ASN A 15 14.357 40.113 3.233 1.00 0.00 C ATOM 216 CG ASN A 15 14.048 39.822 1.770 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.072 39.136 1.464 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.825 40.308 0.840 1.00 0.00 N ATOM 0 H ASN A 15 12.471 41.677 3.031 1.00 0.00 H new ATOM 0 HA ASN A 15 12.603 39.030 3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.761 41.121 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.123 39.426 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.624 40.120 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.633 40.876 1.096 1.00 0.00 H new ATOM 225 N GLN A 16 13.685 41.227 6.057 1.00 0.00 N ATOM 226 CA GLN A 16 14.050 41.406 7.451 1.00 0.00 C ATOM 227 C GLN A 16 12.917 40.879 8.320 1.00 0.00 C ATOM 228 O GLN A 16 13.144 40.179 9.306 1.00 0.00 O ATOM 229 CB GLN A 16 14.284 42.890 7.733 1.00 0.00 C ATOM 230 CG GLN A 16 15.491 43.372 6.925 1.00 0.00 C ATOM 231 CD GLN A 16 15.440 44.887 6.764 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.723 45.418 5.605 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 15.127 45.604 7.713 1.00 0.00 N flip ATOM 0 H GLN A 16 13.596 42.093 5.525 1.00 0.00 H new ATOM 0 HA GLN A 16 14.967 40.860 7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.399 43.467 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.458 43.047 8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.414 43.082 7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.497 42.894 5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.907 45.186 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.088 46.617 7.596 1.00 0.00 H new ATOM 242 N LEU A 17 11.693 41.213 7.925 1.00 0.00 N ATOM 243 CA LEU A 17 10.513 40.760 8.645 1.00 0.00 C ATOM 244 C LEU A 17 10.389 39.243 8.560 1.00 0.00 C ATOM 245 O LEU A 17 9.977 38.591 9.518 1.00 0.00 O ATOM 246 CB LEU A 17 9.255 41.397 8.051 1.00 0.00 C ATOM 247 CG LEU A 17 8.032 40.950 8.858 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.988 41.699 10.190 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.758 41.245 8.064 1.00 0.00 C ATOM 0 H LEU A 17 11.494 41.795 7.111 1.00 0.00 H new ATOM 0 HA LEU A 17 10.616 41.057 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.340 42.484 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.143 41.104 7.007 1.00 0.00 H new ATOM 0 HG LEU A 17 8.101 39.879 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.116 41.377 10.760 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.893 41.484 10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.924 42.771 10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.889 40.926 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.691 42.315 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.785 40.704 7.118 1.00 0.00 H new ATOM 261 N LYS A 18 10.739 38.689 7.401 1.00 0.00 N ATOM 262 CA LYS A 18 10.652 37.248 7.205 1.00 0.00 C ATOM 263 C LYS A 18 11.516 36.513 8.222 1.00 0.00 C ATOM 264 O LYS A 18 11.079 35.533 8.822 1.00 0.00 O ATOM 265 CB LYS A 18 11.099 36.878 5.786 1.00 0.00 C ATOM 266 CG LYS A 18 10.080 37.386 4.761 1.00 0.00 C ATOM 267 CD LYS A 18 10.463 36.876 3.369 1.00 0.00 C ATOM 268 CE LYS A 18 9.710 37.668 2.298 1.00 0.00 C ATOM 269 NZ LYS A 18 9.361 36.768 1.160 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.081 39.210 6.594 1.00 0.00 H new ATOM 0 HA LYS A 18 9.613 36.948 7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.078 37.310 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.204 35.796 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.080 37.042 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.054 38.476 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.538 36.976 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.226 35.815 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.804 38.102 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.325 38.496 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.266 37.330 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.112 36.060 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.461 36.287 1.361 1.00 0.00 H new ATOM 283 N GLN A 19 12.742 36.988 8.415 1.00 0.00 N ATOM 284 CA GLN A 19 13.645 36.354 9.367 1.00 0.00 C ATOM 285 C GLN A 19 13.106 36.467 10.787 1.00 0.00 C ATOM 286 O GLN A 19 13.198 35.521 11.569 1.00 0.00 O ATOM 287 CB GLN A 19 15.031 37.005 9.296 1.00 0.00 C ATOM 288 CG GLN A 19 15.771 36.557 8.028 1.00 0.00 C ATOM 289 CD GLN A 19 14.797 35.976 7.007 1.00 0.00 C ATOM 290 OE1 GLN A 19 13.923 36.684 6.512 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.900 34.723 6.657 1.00 0.00 N ATOM 0 H GLN A 19 13.129 37.799 7.932 1.00 0.00 H new ATOM 0 HA GLN A 19 13.723 35.299 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.930 38.090 9.301 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.612 36.735 10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.299 37.405 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.523 35.811 8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.626 34.137 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.255 34.330 5.972 1.00 0.00 H new ATOM 300 N ASP A 20 12.549 37.626 11.125 1.00 0.00 N ATOM 301 CA ASP A 20 12.014 37.833 12.462 1.00 0.00 C ATOM 302 C ASP A 20 10.907 36.833 12.748 1.00 0.00 C ATOM 303 O ASP A 20 10.886 36.198 13.801 1.00 0.00 O ATOM 304 CB ASP A 20 11.456 39.248 12.583 1.00 0.00 C ATOM 305 CG ASP A 20 12.553 40.273 12.307 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.695 39.989 12.629 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.235 41.325 11.779 1.00 0.00 O ATOM 0 H ASP A 20 12.458 38.426 10.499 1.00 0.00 H new ATOM 0 HA ASP A 20 12.819 37.693 13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.635 39.384 11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.048 39.402 13.582 1.00 0.00 H new ATOM 312 N PHE A 21 9.999 36.680 11.795 1.00 0.00 N ATOM 313 CA PHE A 21 8.908 35.736 11.951 1.00 0.00 C ATOM 314 C PHE A 21 9.474 34.335 12.093 1.00 0.00 C ATOM 315 O PHE A 21 9.143 33.607 13.023 1.00 0.00 O ATOM 316 CB PHE A 21 7.994 35.790 10.727 1.00 0.00 C ATOM 317 CG PHE A 21 7.045 36.960 10.834 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.387 38.094 11.585 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.811 36.905 10.177 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.492 39.168 11.676 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.918 37.979 10.267 1.00 0.00 C ATOM 322 CZ PHE A 21 5.258 39.110 11.018 1.00 0.00 C ATOM 0 H PHE A 21 9.997 37.194 10.914 1.00 0.00 H new ATOM 0 HA PHE A 21 8.333 35.995 12.840 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.593 35.880 9.821 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.429 34.861 10.645 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.339 38.139 12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.547 36.032 9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.754 40.041 12.254 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.967 37.935 9.757 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.568 39.938 11.090 1.00 0.00 H new ATOM 332 N ILE A 22 10.357 33.987 11.166 1.00 0.00 N ATOM 333 CA ILE A 22 11.002 32.683 11.179 1.00 0.00 C ATOM 334 C ILE A 22 11.726 32.476 12.498 1.00 0.00 C ATOM 335 O ILE A 22 11.555 31.453 13.160 1.00 0.00 O ATOM 336 CB ILE A 22 11.996 32.596 10.025 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.233 32.585 8.701 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.824 31.320 10.150 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.225 32.733 7.547 1.00 0.00 C ATOM 0 H ILE A 22 10.642 34.591 10.395 1.00 0.00 H new ATOM 0 HA ILE A 22 10.246 31.907 11.065 1.00 0.00 H new ATOM 0 HB ILE A 22 12.663 33.458 10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.673 31.655 8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.507 33.398 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.532 31.263 9.323 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.369 31.331 11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.163 30.453 10.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.685 32.726 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.765 33.674 7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.933 31.905 7.567 1.00 0.00 H new ATOM 351 N SER A 23 12.538 33.453 12.875 1.00 0.00 N ATOM 352 CA SER A 23 13.279 33.362 14.120 1.00 0.00 C ATOM 353 C SER A 23 12.314 33.099 15.270 1.00 0.00 C ATOM 354 O SER A 23 12.601 32.315 16.168 1.00 0.00 O ATOM 355 CB SER A 23 14.044 34.660 14.370 1.00 0.00 C ATOM 356 OG SER A 23 15.004 34.447 15.396 1.00 0.00 O ATOM 0 H SER A 23 12.698 34.308 12.342 1.00 0.00 H new ATOM 0 HA SER A 23 13.992 32.541 14.053 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.538 34.987 13.455 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.354 35.453 14.660 1.00 0.00 H new ATOM 0 HG SER A 23 15.499 35.277 15.559 1.00 0.00 H new ATOM 362 N GLY A 24 11.155 33.747 15.227 1.00 0.00 N ATOM 363 CA GLY A 24 10.154 33.550 16.267 1.00 0.00 C ATOM 364 C GLY A 24 9.699 32.096 16.297 1.00 0.00 C ATOM 365 O GLY A 24 9.370 31.560 17.353 1.00 0.00 O ATOM 0 H GLY A 24 10.888 34.404 14.494 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.568 33.828 17.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.299 34.202 16.086 1.00 0.00 H new ATOM 369 N ILE A 25 9.691 31.462 15.128 1.00 0.00 N ATOM 370 CA ILE A 25 9.279 30.068 15.026 1.00 0.00 C ATOM 371 C ILE A 25 10.352 29.153 15.610 1.00 0.00 C ATOM 372 O ILE A 25 10.048 28.210 16.350 1.00 0.00 O ATOM 373 CB ILE A 25 9.028 29.710 13.557 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.987 30.661 12.964 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.509 28.278 13.442 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.812 30.822 13.935 1.00 0.00 C ATOM 0 H ILE A 25 9.964 31.890 14.243 1.00 0.00 H new ATOM 0 HA ILE A 25 8.358 29.930 15.593 1.00 0.00 H new ATOM 0 HB ILE A 25 9.968 29.800 13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.441 31.632 12.765 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.630 30.274 12.009 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.335 28.037 12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.246 27.590 13.855 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.575 28.184 13.996 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.075 31.501 13.505 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.351 29.850 14.112 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.173 31.230 14.879 1.00 0.00 H new ATOM 388 N LEU A 26 11.610 29.449 15.288 1.00 0.00 N ATOM 389 CA LEU A 26 12.723 28.663 15.803 1.00 0.00 C ATOM 390 C LEU A 26 12.998 29.042 17.255 1.00 0.00 C ATOM 391 O LEU A 26 13.424 28.211 18.058 1.00 0.00 O ATOM 392 CB LEU A 26 13.972 28.871 14.937 1.00 0.00 C ATOM 393 CG LEU A 26 14.805 30.036 15.469 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.555 29.605 16.732 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.814 30.455 14.398 1.00 0.00 C ATOM 0 H LEU A 26 11.880 30.221 14.678 1.00 0.00 H new ATOM 0 HA LEU A 26 12.459 27.606 15.764 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.572 27.961 14.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.678 29.068 13.906 1.00 0.00 H new ATOM 0 HG LEU A 26 14.149 30.872 15.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.147 30.440 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.838 29.298 17.494 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.214 28.770 16.496 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.414 31.286 14.768 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.466 29.614 14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.282 30.764 13.498 1.00 0.00 H new ATOM 407 N GLU A 27 12.714 30.298 17.589 1.00 0.00 N ATOM 408 CA GLU A 27 12.895 30.782 18.952 1.00 0.00 C ATOM 409 C GLU A 27 11.772 30.257 19.839 1.00 0.00 C ATOM 410 O GLU A 27 11.952 30.055 21.041 1.00 0.00 O ATOM 411 CB GLU A 27 12.907 32.312 18.975 1.00 0.00 C ATOM 412 CG GLU A 27 12.874 32.806 20.423 1.00 0.00 C ATOM 413 CD GLU A 27 14.095 32.298 21.181 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.091 32.009 20.538 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.016 32.203 22.395 1.00 0.00 O1- ATOM 0 H GLU A 27 12.359 30.996 16.936 1.00 0.00 H new ATOM 0 HA GLU A 27 13.851 30.420 19.331 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.799 32.686 18.473 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.048 32.700 18.428 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.852 33.896 20.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.963 32.460 20.912 1.00 0.00 H new ATOM 422 N ASN A 28 10.614 30.035 19.227 1.00 0.00 N ATOM 423 CA ASN A 28 9.456 29.527 19.946 1.00 0.00 C ATOM 424 C ASN A 28 9.288 28.036 19.683 1.00 0.00 C ATOM 425 O ASN A 28 9.693 27.533 18.636 1.00 0.00 O ATOM 426 CB ASN A 28 8.191 30.265 19.497 1.00 0.00 C ATOM 427 CG ASN A 28 8.314 31.752 19.806 1.00 0.00 C ATOM 428 OD1 ASN A 28 9.103 32.146 20.663 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.577 32.606 19.151 1.00 0.00 N ATOM 0 H ASN A 28 10.454 30.200 18.233 1.00 0.00 H new ATOM 0 HA ASN A 28 9.612 29.691 21.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.036 30.120 18.428 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.320 29.851 20.005 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.654 33.604 19.349 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.923 32.276 18.441 1.00 0.00 H new ATOM 436 N GLU A 29 8.675 27.339 20.629 1.00 0.00 N ATOM 437 CA GLU A 29 8.440 25.909 20.477 1.00 0.00 C ATOM 438 C GLU A 29 7.792 25.639 19.123 1.00 0.00 C ATOM 439 O GLU A 29 7.816 24.517 18.619 1.00 0.00 O ATOM 440 CB GLU A 29 7.511 25.423 21.587 1.00 0.00 C ATOM 441 CG GLU A 29 7.342 23.904 21.492 1.00 0.00 C ATOM 442 CD GLU A 29 6.213 23.449 22.407 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.968 24.120 23.395 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.598 22.442 22.095 1.00 0.00 O1- ATOM 0 H GLU A 29 8.333 27.736 21.504 1.00 0.00 H new ATOM 0 HA GLU A 29 9.391 25.379 20.539 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.920 25.693 22.561 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.541 25.912 21.502 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.125 23.617 20.463 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.271 23.408 21.772 1.00 0.00 H new ATOM 451 N GLN A 30 7.205 26.684 18.551 1.00 0.00 N ATOM 452 CA GLN A 30 6.529 26.574 17.262 1.00 0.00 C ATOM 453 C GLN A 30 7.400 25.832 16.255 1.00 0.00 C ATOM 454 O GLN A 30 6.893 25.259 15.291 1.00 0.00 O ATOM 455 CB GLN A 30 6.230 27.967 16.711 1.00 0.00 C ATOM 456 CG GLN A 30 5.278 28.712 17.645 1.00 0.00 C ATOM 457 CD GLN A 30 4.923 30.066 17.038 1.00 0.00 C ATOM 458 OE1 GLN A 30 5.161 31.158 17.713 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 4.420 30.131 15.916 1.00 0.00 N flip ATOM 0 H GLN A 30 7.183 27.618 18.959 1.00 0.00 H new ATOM 0 HA GLN A 30 5.602 26.021 17.415 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.157 28.529 16.602 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.787 27.886 15.718 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.374 28.125 17.803 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.743 28.850 18.621 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.235 29.277 15.390 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.189 31.039 15.513 1.00 0.00 H new ATOM 468 N LYS A 31 8.710 25.851 16.471 1.00 0.00 N ATOM 469 CA LYS A 31 9.626 25.173 15.563 1.00 0.00 C ATOM 470 C LYS A 31 9.150 23.748 15.312 1.00 0.00 C ATOM 471 O LYS A 31 9.274 23.223 14.206 1.00 0.00 O ATOM 472 CB LYS A 31 11.024 25.140 16.176 1.00 0.00 C ATOM 473 CG LYS A 31 11.072 24.103 17.299 1.00 0.00 C ATOM 474 CD LYS A 31 12.412 24.213 18.031 1.00 0.00 C ATOM 475 CE LYS A 31 12.566 23.036 18.993 1.00 0.00 C ATOM 476 NZ LYS A 31 11.224 22.461 19.289 1.00 0.00 N1+ ATOM 0 H LYS A 31 9.157 26.322 17.257 1.00 0.00 H new ATOM 0 HA LYS A 31 9.654 25.714 14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.761 24.896 15.411 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.284 26.124 16.566 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.249 24.266 17.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.949 23.100 16.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.232 24.219 17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.463 25.154 18.579 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.211 22.275 18.554 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.044 23.366 19.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.295 21.814 20.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.560 23.229 19.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.879 21.938 18.458 1.00 0.00 H new ATOM 490 N ASP A 32 8.594 23.136 16.350 1.00 0.00 N ATOM 491 CA ASP A 32 8.085 21.775 16.242 1.00 0.00 C ATOM 492 C ASP A 32 6.993 21.707 15.182 1.00 0.00 C ATOM 493 O ASP A 32 6.938 20.769 14.387 1.00 0.00 O ATOM 494 CB ASP A 32 7.510 21.328 17.588 1.00 0.00 C ATOM 495 CG ASP A 32 8.626 21.178 18.618 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.761 20.988 18.211 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 8.327 21.246 19.799 1.00 0.00 O ATOM 0 H ASP A 32 8.484 23.558 17.272 1.00 0.00 H new ATOM 0 HA ASP A 32 8.905 21.116 15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.778 22.056 17.938 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.985 20.380 17.470 1.00 0.00 H new ATOM 502 N LEU A 33 6.135 22.719 15.172 1.00 0.00 N ATOM 503 CA LEU A 33 5.046 22.783 14.205 1.00 0.00 C ATOM 504 C LEU A 33 5.610 22.842 12.795 1.00 0.00 C ATOM 505 O LEU A 33 5.082 22.222 11.871 1.00 0.00 O ATOM 506 CB LEU A 33 4.182 24.020 14.467 1.00 0.00 C ATOM 507 CG LEU A 33 3.241 23.756 15.645 1.00 0.00 C ATOM 508 CD1 LEU A 33 4.043 23.331 16.877 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.468 25.035 15.964 1.00 0.00 C ATOM 0 H LEU A 33 6.171 23.505 15.821 1.00 0.00 H new ATOM 0 HA LEU A 33 4.430 21.890 14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.817 24.879 14.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.604 24.266 13.576 1.00 0.00 H new ATOM 0 HG LEU A 33 2.550 22.957 15.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.362 23.146 17.708 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.598 22.420 16.653 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.740 24.124 17.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.795 24.854 16.802 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.169 25.828 16.225 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.888 25.336 15.092 1.00 0.00 H new ATOM 521 N VAL A 34 6.699 23.582 12.645 1.00 0.00 N ATOM 522 CA VAL A 34 7.351 23.710 11.352 1.00 0.00 C ATOM 523 C VAL A 34 7.920 22.363 10.930 1.00 0.00 C ATOM 524 O VAL A 34 7.800 21.959 9.775 1.00 0.00 O ATOM 525 CB VAL A 34 8.467 24.762 11.441 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.739 24.251 10.758 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.007 26.044 10.749 1.00 0.00 C ATOM 0 H VAL A 34 7.148 24.101 13.400 1.00 0.00 H new ATOM 0 HA VAL A 34 6.625 24.031 10.605 1.00 0.00 H new ATOM 0 HB VAL A 34 8.683 24.959 12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.520 25.008 10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.073 23.337 11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.530 24.044 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.796 26.794 10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.786 25.834 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.110 26.421 11.240 1.00 0.00 H new ATOM 537 N ALA A 35 8.538 21.674 11.878 1.00 0.00 N ATOM 538 CA ALA A 35 9.124 20.373 11.598 1.00 0.00 C ATOM 539 C ALA A 35 8.056 19.402 11.105 1.00 0.00 C ATOM 540 O ALA A 35 8.308 18.594 10.211 1.00 0.00 O ATOM 541 CB ALA A 35 9.787 19.818 12.861 1.00 0.00 C ATOM 0 H ALA A 35 8.646 21.992 12.841 1.00 0.00 H new ATOM 0 HA ALA A 35 9.876 20.490 10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.224 18.843 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.570 20.501 13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.040 19.714 13.648 1.00 0.00 H new ATOM 547 N LYS A 36 6.860 19.488 11.684 1.00 0.00 N ATOM 548 CA LYS A 36 5.766 18.609 11.280 1.00 0.00 C ATOM 549 C LYS A 36 5.386 18.855 9.825 1.00 0.00 C ATOM 550 O LYS A 36 5.242 17.916 9.042 1.00 0.00 O ATOM 551 CB LYS A 36 4.536 18.854 12.155 1.00 0.00 C ATOM 552 CG LYS A 36 4.835 18.455 13.599 1.00 0.00 C ATOM 553 CD LYS A 36 3.571 18.616 14.442 1.00 0.00 C ATOM 554 CE LYS A 36 3.915 18.400 15.915 1.00 0.00 C ATOM 555 NZ LYS A 36 4.726 19.550 16.405 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.626 20.149 12.425 1.00 0.00 H new ATOM 0 HA LYS A 36 6.105 17.580 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.252 19.905 12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.690 18.279 11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.182 17.423 13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.635 19.076 14.001 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.148 19.610 14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.814 17.898 14.124 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.002 18.307 16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.470 17.470 16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.678 19.591 17.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.715 19.428 16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.351 20.434 16.006 1.00 0.00 H new ATOM 569 N LEU A 37 5.213 20.124 9.476 1.00 0.00 N ATOM 570 CA LEU A 37 4.836 20.482 8.113 1.00 0.00 C ATOM 571 C LEU A 37 5.979 20.212 7.144 1.00 0.00 C ATOM 572 O LEU A 37 5.771 19.652 6.067 1.00 0.00 O ATOM 573 CB LEU A 37 4.447 21.961 8.048 1.00 0.00 C ATOM 574 CG LEU A 37 3.819 22.262 6.683 1.00 0.00 C ATOM 575 CD1 LEU A 37 2.914 23.493 6.801 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.917 22.529 5.640 1.00 0.00 C ATOM 0 H LEU A 37 5.326 20.915 10.110 1.00 0.00 H new ATOM 0 HA LEU A 37 3.983 19.868 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.743 22.199 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.326 22.587 8.202 1.00 0.00 H new ATOM 0 HG LEU A 37 3.231 21.401 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.466 23.709 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.127 23.297 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.505 24.349 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.458 22.742 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.516 23.384 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.557 21.651 5.552 1.00 0.00 H new ATOM 588 N THR A 38 7.184 20.605 7.534 1.00 0.00 N ATOM 589 CA THR A 38 8.348 20.396 6.694 1.00 0.00 C ATOM 590 C THR A 38 8.902 18.997 6.916 1.00 0.00 C ATOM 591 O THR A 38 8.698 18.398 7.973 1.00 0.00 O ATOM 592 CB THR A 38 9.418 21.441 7.017 1.00 0.00 C ATOM 593 OG1 THR A 38 9.982 21.166 8.291 1.00 0.00 O ATOM 594 CG2 THR A 38 8.783 22.833 7.025 1.00 0.00 C ATOM 0 H THR A 38 7.377 21.068 8.422 1.00 0.00 H new ATOM 0 HA THR A 38 8.056 20.500 5.649 1.00 0.00 H new ATOM 0 HB THR A 38 10.202 21.405 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.858 21.599 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.544 23.579 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.354 23.043 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.998 22.871 7.780 1.00 0.00 H new ATOM 602 N ASN A 39 9.592 18.476 5.915 1.00 0.00 N ATOM 603 CA ASN A 39 10.158 17.140 6.013 1.00 0.00 C ATOM 604 C ASN A 39 11.631 17.193 6.406 1.00 0.00 C ATOM 605 O ASN A 39 11.972 17.098 7.584 1.00 0.00 O ATOM 606 CB ASN A 39 10.005 16.429 4.673 1.00 0.00 C ATOM 607 CG ASN A 39 8.537 16.103 4.418 1.00 0.00 C ATOM 608 OD1 ASN A 39 7.809 15.745 5.344 1.00 0.00 O ATOM 609 ND2 ASN A 39 8.052 16.208 3.209 1.00 0.00 N ATOM 0 H ASN A 39 9.773 18.953 5.032 1.00 0.00 H new ATOM 0 HA ASN A 39 9.622 16.592 6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.390 17.060 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.595 15.513 4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.071 15.993 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.655 16.505 2.442 1.00 0.00 H new ATOM 616 N SER A 40 12.499 17.347 5.413 1.00 0.00 N ATOM 617 CA SER A 40 13.933 17.414 5.671 1.00 0.00 C ATOM 618 C SER A 40 14.373 18.859 5.855 1.00 0.00 C ATOM 619 O SER A 40 15.563 19.148 5.973 1.00 0.00 O ATOM 620 CB SER A 40 14.705 16.782 4.514 1.00 0.00 C ATOM 621 OG SER A 40 14.608 17.618 3.370 1.00 0.00 O ATOM 0 H SER A 40 12.239 17.427 4.430 1.00 0.00 H new ATOM 0 HA SER A 40 14.145 16.862 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.750 16.646 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.303 15.794 4.291 1.00 0.00 H new ATOM 0 HG SER A 40 15.104 17.215 2.627 1.00 0.00 H new ATOM 627 N ASP A 41 13.402 19.765 5.870 1.00 0.00 N ATOM 628 CA ASP A 41 13.694 21.183 6.031 1.00 0.00 C ATOM 629 C ASP A 41 13.067 21.716 7.314 1.00 0.00 C ATOM 630 O ASP A 41 11.934 22.191 7.312 1.00 0.00 O ATOM 631 CB ASP A 41 13.146 21.961 4.835 1.00 0.00 C ATOM 632 CG ASP A 41 13.038 21.041 3.623 1.00 0.00 C ATOM 633 OD1 ASP A 41 14.055 20.803 2.991 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 11.941 20.586 3.344 1.00 0.00 O ATOM 0 H ASP A 41 12.411 19.544 5.773 1.00 0.00 H new ATOM 0 HA ASP A 41 14.775 21.311 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.167 22.375 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.800 22.802 4.607 1.00 0.00 H new ATOM 639 N PRO A 42 13.784 21.642 8.399 1.00 0.00 N ATOM 640 CA PRO A 42 13.294 22.120 9.717 1.00 0.00 C ATOM 641 C PRO A 42 13.425 23.634 9.868 1.00 0.00 C ATOM 642 O PRO A 42 12.426 24.352 9.924 1.00 0.00 O ATOM 643 CB PRO A 42 14.191 21.391 10.720 1.00 0.00 C ATOM 644 CG PRO A 42 15.454 21.059 9.986 1.00 0.00 C ATOM 645 CD PRO A 42 15.145 21.092 8.486 1.00 0.00 C ATOM 0 HA PRO A 42 12.233 21.915 9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 42 14.398 22.020 11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.707 20.487 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 16.238 21.776 10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 42 15.819 20.075 10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.859 21.715 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.198 20.095 8.048 1.00 0.00 H new ATOM 653 N ILE A 43 14.659 24.107 9.942 1.00 0.00 N ATOM 654 CA ILE A 43 14.915 25.533 10.097 1.00 0.00 C ATOM 655 C ILE A 43 14.394 26.323 8.900 1.00 0.00 C ATOM 656 O ILE A 43 14.113 27.516 9.012 1.00 0.00 O ATOM 657 CB ILE A 43 16.413 25.777 10.263 1.00 0.00 C ATOM 658 CG1 ILE A 43 16.906 25.045 11.513 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.677 27.277 10.410 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.422 25.202 11.634 1.00 0.00 C ATOM 0 H ILE A 43 15.497 23.528 9.898 1.00 0.00 H new ATOM 0 HA ILE A 43 14.387 25.876 10.987 1.00 0.00 H new ATOM 0 HB ILE A 43 16.943 25.404 9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.416 25.448 12.400 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.643 23.989 11.456 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.747 27.448 10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.322 27.798 9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.150 27.655 11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.772 24.680 12.525 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.903 24.778 10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.673 26.260 11.711 1.00 0.00 H new ATOM 672 N MET A 44 14.266 25.659 7.754 1.00 0.00 N ATOM 673 CA MET A 44 13.773 26.332 6.558 1.00 0.00 C ATOM 674 C MET A 44 12.396 26.927 6.825 1.00 0.00 C ATOM 675 O MET A 44 11.982 27.875 6.162 1.00 0.00 O ATOM 676 CB MET A 44 13.694 25.357 5.379 1.00 0.00 C ATOM 677 CG MET A 44 13.330 26.125 4.103 1.00 0.00 C ATOM 678 SD MET A 44 12.810 24.951 2.821 1.00 0.00 S ATOM 679 CE MET A 44 11.713 26.049 1.879 1.00 0.00 C ATOM 0 H MET A 44 14.493 24.672 7.629 1.00 0.00 H new ATOM 0 HA MET A 44 14.470 27.131 6.303 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.649 24.848 5.250 1.00 0.00 H new ATOM 0 HB3 MET A 44 12.948 24.588 5.579 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.529 26.835 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 44 14.187 26.703 3.756 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.458 25.580 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.802 26.231 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.219 26.996 1.692 1.00 0.00 H new ATOM 689 N ASN A 45 11.691 26.365 7.803 1.00 0.00 N ATOM 690 CA ASN A 45 10.365 26.860 8.157 1.00 0.00 C ATOM 691 C ASN A 45 9.511 27.056 6.910 1.00 0.00 C ATOM 692 O ASN A 45 8.729 28.000 6.836 1.00 0.00 O ATOM 693 CB ASN A 45 10.480 28.192 8.905 1.00 0.00 C ATOM 694 CG ASN A 45 11.475 29.103 8.195 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.069 29.860 7.208 1.00 0.00 O flip ATOM 696 ND2 ASN A 45 12.654 29.119 8.540 1.00 0.00 N flip ATOM 0 H ASN A 45 12.012 25.573 8.360 1.00 0.00 H new ATOM 0 HA ASN A 45 9.889 26.120 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.504 28.675 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.803 28.016 9.931 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.968 28.528 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.319 29.723 8.057 1.00 0.00 H new ATOM 703 N GLN A 46 9.685 26.176 5.929 1.00 0.00 N ATOM 704 CA GLN A 46 8.938 26.275 4.675 1.00 0.00 C ATOM 705 C GLN A 46 9.009 27.705 4.131 1.00 0.00 C ATOM 706 O GLN A 46 7.988 28.343 3.877 1.00 0.00 O ATOM 707 CB GLN A 46 7.474 25.844 4.868 1.00 0.00 C ATOM 708 CG GLN A 46 6.763 26.738 5.896 1.00 0.00 C ATOM 709 CD GLN A 46 5.256 26.486 5.879 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.684 26.018 4.803 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 4.580 26.729 6.877 1.00 0.00 N flip ATOM 0 H GLN A 46 10.333 25.389 5.975 1.00 0.00 H new ATOM 0 HA GLN A 46 9.393 25.599 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.949 25.893 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.438 24.806 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.159 26.541 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.964 27.786 5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.026 27.095 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.573 26.565 6.864 1.00 0.00 H new ATOM 720 N LEU A 47 10.234 28.192 3.966 1.00 0.00 N ATOM 721 CA LEU A 47 10.457 29.550 3.468 1.00 0.00 C ATOM 722 C LEU A 47 9.606 29.843 2.230 1.00 0.00 C ATOM 723 O LEU A 47 8.968 30.892 2.156 1.00 0.00 O ATOM 724 CB LEU A 47 11.941 29.765 3.137 1.00 0.00 C ATOM 725 CG LEU A 47 12.674 30.276 4.380 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.162 29.935 4.279 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.511 31.793 4.474 1.00 0.00 C ATOM 0 H LEU A 47 11.087 27.671 4.168 1.00 0.00 H new ATOM 0 HA LEU A 47 10.159 30.239 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.388 28.831 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.042 30.482 2.322 1.00 0.00 H new ATOM 0 HG LEU A 47 12.253 29.803 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.680 30.300 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.284 28.854 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.584 30.407 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.032 32.161 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.933 32.260 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.452 32.041 4.547 1.00 0.00 H new ATOM 739 N ASP A 48 9.613 28.935 1.257 1.00 0.00 N ATOM 740 CA ASP A 48 8.844 29.151 0.030 1.00 0.00 C ATOM 741 C ASP A 48 7.353 29.343 0.327 1.00 0.00 C ATOM 742 O ASP A 48 6.756 30.336 -0.098 1.00 0.00 O ATOM 743 CB ASP A 48 9.029 27.963 -0.922 1.00 0.00 C ATOM 744 CG ASP A 48 10.455 27.947 -1.469 1.00 0.00 C ATOM 745 OD1 ASP A 48 10.982 29.016 -1.727 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 10.992 26.864 -1.637 1.00 0.00 O ATOM 0 H ASP A 48 10.132 28.057 1.290 1.00 0.00 H new ATOM 0 HA ASP A 48 9.218 30.061 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.822 27.030 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.316 28.031 -1.744 1.00 0.00 H new ATOM 751 N LEU A 49 6.759 28.417 1.079 1.00 0.00 N ATOM 752 CA LEU A 49 5.341 28.541 1.424 1.00 0.00 C ATOM 753 C LEU A 49 5.127 29.738 2.335 1.00 0.00 C ATOM 754 O LEU A 49 4.150 30.471 2.201 1.00 0.00 O ATOM 755 CB LEU A 49 4.837 27.291 2.143 1.00 0.00 C ATOM 756 CG LEU A 49 4.804 26.095 1.190 1.00 0.00 C ATOM 757 CD1 LEU A 49 3.909 26.419 -0.007 1.00 0.00 C ATOM 758 CD2 LEU A 49 6.218 25.776 0.704 1.00 0.00 C ATOM 0 H LEU A 49 7.224 27.590 1.454 1.00 0.00 H new ATOM 0 HA LEU A 49 4.787 28.669 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.484 27.068 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.839 27.472 2.542 1.00 0.00 H new ATOM 0 HG LEU A 49 4.405 25.228 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.886 25.566 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.899 26.633 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.304 27.289 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.186 24.923 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.627 26.641 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.851 25.537 1.558 1.00 0.00 H new ATOM 770 N LEU A 50 6.044 29.905 3.279 1.00 0.00 N ATOM 771 CA LEU A 50 5.950 30.993 4.241 1.00 0.00 C ATOM 772 C LEU A 50 5.938 32.339 3.527 1.00 0.00 C ATOM 773 O LEU A 50 5.140 33.214 3.860 1.00 0.00 O ATOM 774 CB LEU A 50 7.148 30.925 5.193 1.00 0.00 C ATOM 775 CG LEU A 50 6.790 31.553 6.539 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.055 31.699 7.382 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.171 32.932 6.327 1.00 0.00 C ATOM 0 H LEU A 50 6.858 29.303 3.398 1.00 0.00 H new ATOM 0 HA LEU A 50 5.022 30.892 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.449 29.887 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.999 31.446 4.755 1.00 0.00 H new ATOM 0 HG LEU A 50 6.072 30.911 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.802 32.147 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.499 30.717 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.768 32.337 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.920 33.370 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.884 33.575 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.267 32.836 5.726 1.00 0.00 H new ATOM 789 N HIS A 51 6.813 32.502 2.543 1.00 0.00 N ATOM 790 CA HIS A 51 6.872 33.751 1.803 1.00 0.00 C ATOM 791 C HIS A 51 5.537 34.042 1.131 1.00 0.00 C ATOM 792 O HIS A 51 5.027 35.158 1.222 1.00 0.00 O ATOM 793 CB HIS A 51 7.981 33.688 0.755 1.00 0.00 C ATOM 794 CG HIS A 51 9.311 33.686 1.452 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.493 33.990 0.797 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.661 33.424 2.754 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.488 33.906 1.698 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.034 33.565 2.906 1.00 0.00 N ATOM 0 H HIS A 51 7.483 31.794 2.243 1.00 0.00 H new ATOM 0 HA HIS A 51 7.089 34.556 2.505 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.873 32.790 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.911 34.541 0.080 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.591 34.233 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.973 33.150 3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.528 34.092 1.472 1.00 0.00 H new ATOM 807 N LYS A 52 4.966 33.038 0.465 1.00 0.00 N ATOM 808 CA LYS A 52 3.681 33.231 -0.204 1.00 0.00 C ATOM 809 C LYS A 52 2.624 33.611 0.820 1.00 0.00 C ATOM 810 O LYS A 52 1.881 34.578 0.644 1.00 0.00 O ATOM 811 CB LYS A 52 3.248 31.941 -0.896 1.00 0.00 C ATOM 812 CG LYS A 52 4.328 31.497 -1.880 1.00 0.00 C ATOM 813 CD LYS A 52 3.840 30.270 -2.645 1.00 0.00 C ATOM 814 CE LYS A 52 4.939 29.791 -3.596 1.00 0.00 C ATOM 815 NZ LYS A 52 6.032 29.146 -2.816 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.363 32.103 0.375 1.00 0.00 H new ATOM 0 HA LYS A 52 3.790 34.024 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.074 31.160 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.306 32.097 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.558 32.305 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.249 31.264 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.576 29.475 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.939 30.514 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.527 29.084 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.333 30.633 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.761 28.792 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.455 29.842 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.645 28.353 -2.266 1.00 0.00 H new ATOM 829 N TRP A 53 2.574 32.841 1.899 1.00 0.00 N ATOM 830 CA TRP A 53 1.622 33.085 2.969 1.00 0.00 C ATOM 831 C TRP A 53 1.783 34.516 3.474 1.00 0.00 C ATOM 832 O TRP A 53 0.826 35.294 3.530 1.00 0.00 O ATOM 833 CB TRP A 53 1.909 32.091 4.097 1.00 0.00 C ATOM 834 CG TRP A 53 0.785 32.059 5.075 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.276 31.225 5.009 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.606 32.862 6.275 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.094 31.457 6.098 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.595 32.461 6.907 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.361 33.888 6.872 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.029 33.056 8.091 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.927 34.489 8.065 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.266 34.072 8.673 1.00 0.00 C ATOM 0 H TRP A 53 3.185 32.039 2.055 1.00 0.00 H new ATOM 0 HA TRP A 53 0.600 32.955 2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.062 31.096 3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.832 32.369 4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.455 30.496 4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.960 30.950 6.282 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.280 34.216 6.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.949 32.734 8.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.514 35.275 8.516 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.595 34.536 9.591 1.00 0.00 H new ATOM 853 N LEU A 54 3.011 34.842 3.847 1.00 0.00 N ATOM 854 CA LEU A 54 3.308 36.170 4.359 1.00 0.00 C ATOM 855 C LEU A 54 2.875 37.232 3.351 1.00 0.00 C ATOM 856 O LEU A 54 2.194 38.191 3.705 1.00 0.00 O ATOM 857 CB LEU A 54 4.812 36.302 4.633 1.00 0.00 C ATOM 858 CG LEU A 54 5.073 37.597 5.404 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.664 37.425 6.868 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.560 37.958 5.327 1.00 0.00 C ATOM 0 H LEU A 54 3.811 34.211 3.805 1.00 0.00 H new ATOM 0 HA LEU A 54 2.759 36.317 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.165 35.446 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.366 36.306 3.694 1.00 0.00 H new ATOM 0 HG LEU A 54 4.483 38.398 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.853 38.352 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.603 37.182 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.244 36.618 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.739 38.881 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.153 37.154 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.847 38.096 4.285 1.00 0.00 H new ATOM 872 N ASP A 55 3.270 37.052 2.094 1.00 0.00 N ATOM 873 CA ASP A 55 2.920 38.005 1.043 1.00 0.00 C ATOM 874 C ASP A 55 1.410 38.224 0.946 1.00 0.00 C ATOM 875 O ASP A 55 0.949 39.354 0.789 1.00 0.00 O ATOM 876 CB ASP A 55 3.446 37.511 -0.303 1.00 0.00 C ATOM 877 CG ASP A 55 4.967 37.608 -0.328 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.515 38.216 0.576 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.559 37.073 -1.249 1.00 0.00 O1- ATOM 0 H ASP A 55 3.830 36.260 1.778 1.00 0.00 H new ATOM 0 HA ASP A 55 3.382 38.958 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.135 36.480 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.021 38.106 -1.111 1.00 0.00 H new ATOM 884 N ARG A 56 0.648 37.140 1.024 1.00 0.00 N ATOM 885 CA ARG A 56 -0.807 37.228 0.929 1.00 0.00 C ATOM 886 C ARG A 56 -1.395 38.043 2.078 1.00 0.00 C ATOM 887 O ARG A 56 -2.416 38.706 1.914 1.00 0.00 O ATOM 888 CB ARG A 56 -1.419 35.826 0.931 1.00 0.00 C ATOM 889 CG ARG A 56 -2.921 35.925 0.659 1.00 0.00 C ATOM 890 CD ARG A 56 -3.570 34.552 0.850 1.00 0.00 C ATOM 891 NE ARG A 56 -3.039 33.594 -0.115 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.316 32.295 -0.018 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.082 31.862 0.945 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.820 31.453 -0.883 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.009 36.195 1.152 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.048 37.734 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.941 35.208 0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.244 35.342 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.376 36.650 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.094 36.282 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.387 34.195 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.650 34.635 0.732 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.446 33.925 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.469 32.518 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.294 30.867 1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.219 31.789 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.033 30.459 -0.807 1.00 0.00 H new ATOM 908 N HIS A 57 -0.748 37.991 3.239 1.00 0.00 N ATOM 909 CA HIS A 57 -1.229 38.734 4.404 1.00 0.00 C ATOM 910 C HIS A 57 -0.256 39.848 4.777 1.00 0.00 C ATOM 911 O HIS A 57 -0.265 40.336 5.908 1.00 0.00 O ATOM 912 CB HIS A 57 -1.396 37.791 5.601 1.00 0.00 C ATOM 913 CG HIS A 57 -2.294 36.646 5.223 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.674 36.758 5.229 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.023 35.357 4.832 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.179 35.568 4.851 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.216 34.680 4.597 1.00 0.00 N ATOM 0 H HIS A 57 0.101 37.449 3.400 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.192 39.175 4.147 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.424 37.414 5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.818 38.333 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.035 34.934 4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.235 35.358 4.764 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.330 33.712 4.295 1.00 0.00 H new ATOM 926 N ARG A 58 0.586 40.241 3.831 1.00 0.00 N ATOM 927 CA ARG A 58 1.563 41.290 4.086 1.00 0.00 C ATOM 928 C ARG A 58 0.901 42.570 4.585 1.00 0.00 C ATOM 929 O ARG A 58 1.465 43.299 5.402 1.00 0.00 O ATOM 930 CB ARG A 58 2.358 41.581 2.812 1.00 0.00 C ATOM 931 CG ARG A 58 1.424 42.160 1.750 1.00 0.00 C ATOM 932 CD ARG A 58 2.131 42.150 0.399 1.00 0.00 C ATOM 933 NE ARG A 58 3.331 42.981 0.454 1.00 0.00 N ATOM 934 CZ ARG A 58 3.246 44.300 0.564 1.00 0.00 C ATOM 935 NH1 ARG A 58 2.078 44.874 0.611 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.331 45.021 0.623 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.613 39.853 2.888 1.00 0.00 H new ATOM 0 HA ARG A 58 2.235 40.935 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.163 42.284 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.823 40.666 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.506 41.574 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.138 43.177 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.399 41.129 0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.458 42.520 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 58 4.249 42.540 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.230 44.309 0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.011 45.888 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.245 44.571 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.265 46.035 0.708 1.00 0.00 H new ATOM 950 N ASP A 59 -0.293 42.833 4.080 1.00 0.00 N ATOM 951 CA ASP A 59 -1.039 44.029 4.462 1.00 0.00 C ATOM 952 C ASP A 59 -1.278 44.061 5.967 1.00 0.00 C ATOM 953 O ASP A 59 -1.417 45.128 6.563 1.00 0.00 O ATOM 954 CB ASP A 59 -2.383 44.050 3.737 1.00 0.00 C ATOM 955 CG ASP A 59 -2.154 44.099 2.233 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.096 44.552 1.831 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.035 43.674 1.505 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.770 42.236 3.404 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.452 44.904 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.962 43.164 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.965 44.915 4.054 1.00 0.00 H new ATOM 962 N MET A 60 -1.342 42.879 6.566 1.00 0.00 N ATOM 963 CA MET A 60 -1.589 42.757 7.999 1.00 0.00 C ATOM 964 C MET A 60 -0.573 43.547 8.823 1.00 0.00 C ATOM 965 O MET A 60 -0.916 44.102 9.867 1.00 0.00 O ATOM 966 CB MET A 60 -1.542 41.282 8.406 1.00 0.00 C ATOM 967 CG MET A 60 -0.090 40.815 8.518 1.00 0.00 C ATOM 968 SD MET A 60 0.014 39.055 8.096 1.00 0.00 S ATOM 969 CE MET A 60 -0.807 38.400 9.572 1.00 0.00 C ATOM 0 H MET A 60 -1.226 41.989 6.082 1.00 0.00 H new ATOM 0 HA MET A 60 -2.577 43.172 8.201 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.052 41.143 9.359 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.071 40.676 7.670 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.543 41.398 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.279 40.979 9.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.708 37.315 9.592 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.344 38.823 10.464 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.863 38.668 9.550 1.00 0.00 H new ATOM 979 N CYS A 61 0.671 43.602 8.360 1.00 0.00 N ATOM 980 CA CYS A 61 1.697 44.331 9.099 1.00 0.00 C ATOM 981 C CYS A 61 1.330 45.807 9.194 1.00 0.00 C ATOM 982 O CYS A 61 1.678 46.479 10.162 1.00 0.00 O ATOM 983 CB CYS A 61 3.061 44.173 8.424 1.00 0.00 C ATOM 984 SG CYS A 61 3.040 44.972 6.798 1.00 0.00 S ATOM 0 H CYS A 61 0.990 43.162 7.497 1.00 0.00 H new ATOM 0 HA CYS A 61 1.756 43.915 10.105 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.838 44.616 9.047 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.303 43.116 8.316 1.00 0.00 H new ATOM 0 HG CYS A 61 1.957 44.634 6.162 1.00 0.00 H new ATOM 990 N GLU A 62 0.614 46.304 8.195 1.00 0.00 N ATOM 991 CA GLU A 62 0.195 47.701 8.194 1.00 0.00 C ATOM 992 C GLU A 62 -0.975 47.912 9.153 1.00 0.00 C ATOM 993 O GLU A 62 -1.319 49.048 9.484 1.00 0.00 O ATOM 994 CB GLU A 62 -0.212 48.125 6.783 1.00 0.00 C ATOM 995 CG GLU A 62 1.019 48.114 5.872 1.00 0.00 C ATOM 996 CD GLU A 62 1.340 46.686 5.444 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.626 45.788 5.861 1.00 0.00 O ATOM 998 OE2 GLU A 62 2.297 46.510 4.706 1.00 0.00 O1- ATOM 0 H GLU A 62 0.313 45.768 7.381 1.00 0.00 H new ATOM 0 HA GLU A 62 1.034 48.312 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.972 47.448 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.653 49.121 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.837 48.733 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.872 48.546 6.395 1.00 0.00 H new ATOM 1005 N LYS A 63 -1.589 46.816 9.590 1.00 0.00 N ATOM 1006 CA LYS A 63 -2.723 46.898 10.502 1.00 0.00 C ATOM 1007 C LYS A 63 -2.261 47.024 11.950 1.00 0.00 C ATOM 1008 O LYS A 63 -2.548 48.017 12.618 1.00 0.00 O ATOM 1009 CB LYS A 63 -3.591 45.647 10.373 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.159 45.555 8.957 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.104 44.356 8.868 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.578 44.182 7.424 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.539 43.045 7.351 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.322 45.867 9.329 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.297 47.785 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.000 44.759 10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.403 45.680 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.692 46.472 8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.350 45.449 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.595 43.453 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.960 44.505 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.054 45.098 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.726 43.995 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.862 42.926 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.070 42.173 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.357 43.242 7.963 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.533 46.017 12.428 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.037 46.053 13.802 1.00 0.00 C ATOM 1029 C TRP A 64 0.268 46.830 13.876 1.00 0.00 C ATOM 1030 O TRP A 64 0.560 47.480 14.881 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.809 44.641 14.351 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.169 43.617 13.332 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.528 43.428 12.157 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.228 42.622 13.386 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.131 42.383 11.482 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.183 41.852 12.200 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.215 42.318 14.340 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.086 40.815 11.971 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.124 41.274 14.112 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.058 40.525 12.930 1.00 0.00 C ATOM 0 H TRP A 64 -1.278 45.184 11.898 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.796 46.548 14.408 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.235 44.522 14.641 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.408 44.494 15.250 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.317 44.000 11.803 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.835 42.046 10.566 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.274 42.891 15.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.034 40.240 11.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.878 41.047 14.851 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.760 39.722 12.760 1.00 0.00 H new ATOM 1051 N LYS A 65 1.060 46.743 12.814 1.00 0.00 N ATOM 1052 CA LYS A 65 2.341 47.428 12.785 1.00 0.00 C ATOM 1053 C LYS A 65 3.207 46.951 13.946 1.00 0.00 C ATOM 1054 O LYS A 65 4.387 47.290 14.038 1.00 0.00 O ATOM 1055 CB LYS A 65 2.120 48.934 12.882 1.00 0.00 C ATOM 1056 CG LYS A 65 3.424 49.659 12.556 1.00 0.00 C ATOM 1057 CD LYS A 65 3.171 51.167 12.532 1.00 0.00 C ATOM 1058 CE LYS A 65 2.889 51.659 13.953 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.430 51.550 14.232 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.839 46.211 11.972 1.00 0.00 H new ATOM 0 HA LYS A 65 2.850 47.203 11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.336 49.243 12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.784 49.200 13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.183 49.418 13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.807 49.327 11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.037 51.685 12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.326 51.395 11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.454 51.067 14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.216 52.693 14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.068 52.471 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.931 51.262 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.271 50.840 14.975 1.00 0.00 H new ATOM 1073 N SER A 66 2.609 46.150 14.825 1.00 0.00 N ATOM 1074 CA SER A 66 3.324 45.616 15.974 1.00 0.00 C ATOM 1075 C SER A 66 4.066 44.343 15.587 1.00 0.00 C ATOM 1076 O SER A 66 3.721 43.681 14.606 1.00 0.00 O ATOM 1077 CB SER A 66 2.347 45.326 17.113 1.00 0.00 C ATOM 1078 OG SER A 66 1.155 44.773 16.577 1.00 0.00 O ATOM 0 H SER A 66 1.633 45.859 14.761 1.00 0.00 H new ATOM 0 HA SER A 66 4.049 46.357 16.310 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.795 44.633 17.825 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.123 46.243 17.658 1.00 0.00 H new ATOM 0 HG SER A 66 0.430 44.864 17.230 1.00 0.00 H new ATOM 1084 N LYS A 67 5.096 44.021 16.350 1.00 0.00 N ATOM 1085 CA LYS A 67 5.902 42.843 16.072 1.00 0.00 C ATOM 1086 C LYS A 67 5.417 41.620 16.841 1.00 0.00 C ATOM 1087 O LYS A 67 5.022 40.622 16.249 1.00 0.00 O ATOM 1088 CB LYS A 67 7.355 43.126 16.446 1.00 0.00 C ATOM 1089 CG LYS A 67 8.203 41.894 16.139 1.00 0.00 C ATOM 1090 CD LYS A 67 9.665 42.173 16.496 1.00 0.00 C ATOM 1091 CE LYS A 67 10.544 41.032 15.975 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.286 41.495 14.769 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.394 44.557 17.165 1.00 0.00 H new ATOM 0 HA LYS A 67 5.812 42.625 15.008 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.726 43.985 15.887 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.428 43.378 17.504 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.837 41.038 16.706 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.119 41.636 15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.983 43.120 16.059 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.775 42.267 17.576 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.244 40.715 16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.929 40.167 15.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.164 40.946 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.695 41.359 13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.518 42.504 14.870 1.00 0.00 H new ATOM 1106 N GLU A 68 5.487 41.703 18.158 1.00 0.00 N ATOM 1107 CA GLU A 68 5.099 40.590 19.017 1.00 0.00 C ATOM 1108 C GLU A 68 3.632 40.202 18.827 1.00 0.00 C ATOM 1109 O GLU A 68 3.277 39.019 18.871 1.00 0.00 O ATOM 1110 CB GLU A 68 5.339 40.988 20.474 1.00 0.00 C ATOM 1111 CG GLU A 68 6.821 41.311 20.671 1.00 0.00 C ATOM 1112 CD GLU A 68 7.139 42.678 20.075 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.220 43.466 19.924 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.299 42.919 19.779 1.00 0.00 O ATOM 0 H GLU A 68 5.809 42.530 18.660 1.00 0.00 H new ATOM 0 HA GLU A 68 5.703 39.723 18.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.729 41.853 20.732 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.040 40.177 21.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.066 41.302 21.733 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.435 40.546 20.196 1.00 0.00 H new ATOM 1121 N ASP A 69 2.778 41.193 18.623 1.00 0.00 N ATOM 1122 CA ASP A 69 1.356 40.918 18.443 1.00 0.00 C ATOM 1123 C ASP A 69 1.117 40.084 17.188 1.00 0.00 C ATOM 1124 O ASP A 69 0.351 39.116 17.207 1.00 0.00 O ATOM 1125 CB ASP A 69 0.575 42.229 18.352 1.00 0.00 C ATOM 1126 CG ASP A 69 0.629 42.963 19.687 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.102 42.374 20.645 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.199 44.103 19.733 1.00 0.00 O ATOM 0 H ASP A 69 3.035 42.179 18.578 1.00 0.00 H new ATOM 0 HA ASP A 69 1.007 40.350 19.306 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.993 42.857 17.565 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.461 42.026 18.081 1.00 0.00 H new ATOM 1133 N ILE A 70 1.779 40.458 16.098 1.00 0.00 N ATOM 1134 CA ILE A 70 1.624 39.727 14.845 1.00 0.00 C ATOM 1135 C ILE A 70 2.058 38.278 15.012 1.00 0.00 C ATOM 1136 O ILE A 70 1.423 37.369 14.475 1.00 0.00 O ATOM 1137 CB ILE A 70 2.449 40.370 13.733 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.950 41.789 13.473 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.295 39.543 12.456 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.853 42.458 12.434 1.00 0.00 C ATOM 0 H ILE A 70 2.419 41.251 16.056 1.00 0.00 H new ATOM 0 HA ILE A 70 0.569 39.761 14.573 1.00 0.00 H new ATOM 0 HB ILE A 70 3.496 40.405 14.033 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.920 41.765 13.116 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.953 42.364 14.399 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.881 39.996 11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.649 38.528 12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.245 39.515 12.165 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.501 43.472 12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.876 42.493 12.810 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.827 41.886 11.507 1.00 0.00 H new ATOM 1152 N LEU A 71 3.141 38.066 15.754 1.00 0.00 N ATOM 1153 CA LEU A 71 3.647 36.718 15.980 1.00 0.00 C ATOM 1154 C LEU A 71 2.570 35.844 16.602 1.00 0.00 C ATOM 1155 O LEU A 71 2.399 34.686 16.222 1.00 0.00 O ATOM 1156 CB LEU A 71 4.850 36.772 16.922 1.00 0.00 C ATOM 1157 CG LEU A 71 5.978 37.582 16.284 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.170 37.628 17.241 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.407 36.929 14.968 1.00 0.00 C ATOM 0 H LEU A 71 3.681 38.804 16.205 1.00 0.00 H new ATOM 0 HA LEU A 71 3.943 36.293 15.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.559 37.223 17.871 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.196 35.762 17.142 1.00 0.00 H new ATOM 0 HG LEU A 71 5.627 38.594 16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.977 38.205 16.789 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.867 38.098 18.177 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.516 36.614 17.440 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.211 37.511 14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.757 35.915 15.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.558 36.895 14.285 1.00 0.00 H new ATOM 1171 N HIS A 72 1.840 36.412 17.552 1.00 0.00 N ATOM 1172 CA HIS A 72 0.770 35.674 18.214 1.00 0.00 C ATOM 1173 C HIS A 72 -0.293 35.261 17.203 1.00 0.00 C ATOM 1174 O HIS A 72 -0.782 34.129 17.229 1.00 0.00 O ATOM 1175 CB HIS A 72 0.137 36.535 19.309 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.910 35.739 20.044 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -0.602 34.599 20.770 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -2.266 35.917 20.188 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.745 34.142 21.315 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.790 34.909 20.991 1.00 0.00 N ATOM 0 H HIS A 72 1.965 37.370 17.880 1.00 0.00 H new ATOM 0 HA HIS A 72 1.195 34.777 18.665 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.904 36.875 20.005 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.312 37.426 18.870 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.838 36.719 19.745 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.809 33.262 21.938 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.762 34.783 21.272 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.649 36.183 16.310 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.659 35.891 15.297 1.00 0.00 C ATOM 1191 C LYS A 73 -1.206 34.732 14.412 1.00 0.00 C ATOM 1192 O LYS A 73 -1.950 33.776 14.196 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.918 37.124 14.430 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.298 38.311 15.319 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.431 37.906 16.266 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.127 39.158 16.806 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.019 39.193 18.293 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.259 37.125 16.267 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.581 35.613 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.028 37.364 13.848 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.719 36.919 13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.432 38.640 15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.610 39.154 14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.150 37.277 15.740 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.034 37.315 17.091 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.672 40.051 16.378 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.175 39.160 16.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.493 40.045 18.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.472 38.347 18.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.016 39.211 18.568 1.00 0.00 H new ATOM 1211 N LEU A 74 0.018 34.827 13.896 1.00 0.00 N ATOM 1212 CA LEU A 74 0.547 33.772 13.033 1.00 0.00 C ATOM 1213 C LEU A 74 0.509 32.424 13.731 1.00 0.00 C ATOM 1214 O LEU A 74 0.131 31.427 13.129 1.00 0.00 O ATOM 1215 CB LEU A 74 1.993 34.068 12.631 1.00 0.00 C ATOM 1216 CG LEU A 74 2.026 35.030 11.446 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.735 36.451 11.921 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.413 34.977 10.800 1.00 0.00 C ATOM 0 H LEU A 74 0.653 35.609 14.056 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.083 33.741 12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.531 34.500 13.475 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.502 33.140 12.370 1.00 0.00 H new ATOM 0 HG LEU A 74 1.268 34.739 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.760 37.131 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.749 36.485 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.488 36.753 12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.446 35.661 9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.166 35.269 11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.616 33.963 10.456 1.00 0.00 H new ATOM 1230 N ASN A 75 0.910 32.392 14.992 1.00 0.00 N ATOM 1231 CA ASN A 75 0.921 31.140 15.731 1.00 0.00 C ATOM 1232 C ASN A 75 -0.460 30.493 15.705 1.00 0.00 C ATOM 1233 O ASN A 75 -0.587 29.291 15.472 1.00 0.00 O ATOM 1234 CB ASN A 75 1.346 31.396 17.175 1.00 0.00 C ATOM 1235 CG ASN A 75 2.701 32.096 17.195 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.323 32.275 16.149 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.198 32.502 18.330 1.00 0.00 N ATOM 0 H ASN A 75 1.228 33.206 15.519 1.00 0.00 H new ATOM 0 HA ASN A 75 1.633 30.462 15.260 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.601 32.010 17.680 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.404 30.454 17.720 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.104 32.969 18.352 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.680 32.352 19.196 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.492 31.298 15.933 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.857 30.785 15.923 1.00 0.00 C ATOM 1246 C GLU A 76 -3.272 30.390 14.508 1.00 0.00 C ATOM 1247 O GLU A 76 -3.907 29.355 14.305 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.820 31.838 16.480 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.225 31.245 16.567 1.00 0.00 C ATOM 1250 CD GLU A 76 -5.247 30.110 17.584 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.456 30.159 18.513 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -6.055 29.211 17.423 1.00 0.00 O ATOM 0 H GLU A 76 -1.412 32.297 16.125 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.897 29.898 16.555 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.489 32.164 17.466 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.824 32.719 15.838 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.938 32.017 16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.534 30.875 15.589 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.903 31.215 13.531 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.239 30.934 12.141 1.00 0.00 C ATOM 1261 C GLN A 77 -2.442 29.734 11.635 1.00 0.00 C ATOM 1262 O GLN A 77 -2.971 28.868 10.937 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.925 32.159 11.275 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.849 33.319 11.656 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.502 34.552 10.826 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.468 35.182 11.054 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.306 34.936 9.874 1.00 0.00 N ATOM 0 H GLN A 77 -2.376 32.076 13.676 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.303 30.705 12.077 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.884 32.453 11.410 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.053 31.912 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.889 33.038 11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.747 33.544 12.718 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.161 34.413 9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.079 35.759 9.316 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.166 29.697 12.003 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.270 28.614 11.606 1.00 0.00 C ATOM 1278 C TRP A 78 -0.790 27.266 12.102 1.00 0.00 C ATOM 1279 O TRP A 78 -0.692 26.255 11.404 1.00 0.00 O ATOM 1280 CB TRP A 78 1.121 28.873 12.191 1.00 0.00 C ATOM 1281 CG TRP A 78 2.169 28.170 11.392 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.243 26.834 11.195 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.310 28.752 10.698 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.356 26.561 10.418 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.046 27.711 10.089 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.771 30.073 10.540 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.201 27.970 9.349 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.933 30.336 9.798 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.646 29.287 9.203 1.00 0.00 C ATOM 0 H TRP A 78 -0.724 30.412 12.581 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.220 28.583 10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.323 29.944 12.202 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.155 28.531 13.226 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.549 26.102 11.580 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.633 25.624 10.124 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.227 30.889 10.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.747 27.158 8.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.279 31.353 9.685 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.539 29.496 8.632 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.329 27.256 13.319 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.848 26.027 13.908 1.00 0.00 C ATOM 1302 C ASN A 79 -3.158 25.611 13.247 1.00 0.00 C ATOM 1303 O ASN A 79 -3.386 24.430 12.984 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.081 26.227 15.408 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.767 26.571 16.103 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.335 26.601 15.408 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.746 26.817 17.309 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.417 28.081 13.913 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.112 25.240 13.748 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.805 27.026 15.568 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.504 25.321 15.842 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.611 26.793 17.850 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.136 27.045 17.768 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.023 26.591 12.998 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.322 26.326 12.386 1.00 0.00 C ATOM 1316 C LYS A 80 -5.188 25.752 10.977 1.00 0.00 C ATOM 1317 O LYS A 80 -5.929 24.844 10.601 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.135 27.616 12.316 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.519 27.305 11.745 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.258 28.608 11.445 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.760 28.402 11.655 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.517 29.259 10.701 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.849 27.573 13.210 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.827 25.588 13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.228 28.056 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.626 28.348 11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.423 26.713 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.090 26.707 12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.894 29.403 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.063 28.922 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.019 27.354 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.032 28.652 12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.538 29.119 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.278 30.258 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.265 29.000 9.726 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.266 26.299 10.196 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.080 25.841 8.821 1.00 0.00 C ATOM 1338 C ASP A 81 -2.936 24.836 8.725 1.00 0.00 C ATOM 1339 O ASP A 81 -3.218 23.650 8.677 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.794 27.040 7.915 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.509 26.568 6.494 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.862 25.546 6.351 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -3.945 27.235 5.572 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -1.796 25.268 8.690 1.00 0.00 O ATOM 0 H ASP A 81 -3.641 27.052 10.484 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.995 25.345 8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.647 27.718 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.941 27.600 8.298 1.00 0.00 H new TER 1349 ASP A 81