USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 769 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 25 ASN : amide:sc= -0.199 K(o=0.01,f=-5.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -108:sc= 0.209 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 116:sc= -0.145 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.37 (180deg=-0.819) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.41 (180deg=1.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.978 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= -6.4! (180deg=-12.9!) USER MOD Single : A 31 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.21 F(o=-2.2,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -5.05 X(o=-5.1,f=-5.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00813 X(o=-0.0081,f=-0.0081) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -84:sc= 0.38 USER MOD Single : A 60 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.067) USER MOD Single : A 62 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.71) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -110:sc= 0.288 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 68 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-3!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -2.4 K(o=-2.4,f=-7.4!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 5.925 -2.635 -12.875 1.00 0.00 N ATOM 2 CA ASP B 22 5.019 -2.019 -11.911 1.00 0.00 C ATOM 3 C ASP B 22 5.237 -0.510 -11.840 1.00 0.00 C ATOM 4 O ASP B 22 6.254 -0.043 -11.328 1.00 0.00 O ATOM 5 CB ASP B 22 5.215 -2.640 -10.528 1.00 0.00 C ATOM 6 CG ASP B 22 3.909 -2.791 -9.771 1.00 0.00 C ATOM 7 OD1 ASP B 22 2.915 -3.230 -10.385 1.00 0.00 O1- ATOM 8 OD2 ASP B 22 3.882 -2.468 -8.564 1.00 0.00 O ATOM 0 HA ASP B 22 3.997 -2.203 -12.244 1.00 0.00 H new ATOM 0 HB2 ASP B 22 5.685 -3.618 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP B 22 5.898 -2.020 -9.948 1.00 0.00 H new ATOM 13 N THR B 23 4.274 0.247 -12.354 1.00 0.00 N ATOM 14 CA THR B 23 4.359 1.702 -12.346 1.00 0.00 C ATOM 15 C THR B 23 3.387 2.299 -11.334 1.00 0.00 C ATOM 16 O THR B 23 2.847 3.386 -11.543 1.00 0.00 O ATOM 17 CB THR B 23 4.068 2.260 -13.739 1.00 0.00 C ATOM 18 OG1 THR B 23 2.714 2.043 -14.093 1.00 0.00 O ATOM 19 CG2 THR B 23 4.929 1.645 -14.823 1.00 0.00 C ATOM 0 H THR B 23 3.425 -0.123 -12.782 1.00 0.00 H new ATOM 0 HA THR B 23 5.373 1.979 -12.056 1.00 0.00 H new ATOM 0 HB THR B 23 4.295 3.324 -13.677 1.00 0.00 H new ATOM 0 HG1 THR B 23 2.547 2.409 -14.987 1.00 0.00 H new ATOM 0 HG21 THR B 23 4.671 2.085 -15.786 1.00 0.00 H new ATOM 0 HG22 THR B 23 5.980 1.837 -14.606 1.00 0.00 H new ATOM 0 HG23 THR B 23 4.757 0.569 -14.858 1.00 0.00 H new ATOM 27 N GLN B 24 3.167 1.581 -10.237 1.00 0.00 N ATOM 28 CA GLN B 24 2.259 2.039 -9.193 1.00 0.00 C ATOM 29 C GLN B 24 2.816 3.272 -8.488 1.00 0.00 C ATOM 30 O GLN B 24 2.096 4.242 -8.252 1.00 0.00 O ATOM 31 CB GLN B 24 2.015 0.923 -8.175 1.00 0.00 C ATOM 32 CG GLN B 24 0.839 0.027 -8.523 1.00 0.00 C ATOM 33 CD GLN B 24 0.956 -0.575 -9.910 1.00 0.00 C ATOM 34 OE1 GLN B 24 2.057 -0.836 -10.395 1.00 0.00 O ATOM 35 NE2 GLN B 24 -0.183 -0.798 -10.557 1.00 0.00 N ATOM 0 H GLN B 24 3.606 0.680 -10.049 1.00 0.00 H new ATOM 0 HA GLN B 24 1.313 2.308 -9.662 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.915 0.313 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.844 1.368 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.767 -0.775 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -0.084 0.603 -8.457 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.073 -0.566 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.167 -1.201 -11.494 1.00 0.00 H new ATOM 44 N ASP B 25 4.102 3.226 -8.156 1.00 0.00 N ATOM 45 CA ASP B 25 4.757 4.340 -7.478 1.00 0.00 C ATOM 46 C ASP B 25 5.254 5.379 -8.479 1.00 0.00 C ATOM 47 O ASP B 25 5.476 6.537 -8.125 1.00 0.00 O ATOM 48 CB ASP B 25 5.925 3.830 -6.632 1.00 0.00 C ATOM 49 CG ASP B 25 5.501 2.761 -5.645 1.00 0.00 C ATOM 50 OD1 ASP B 25 4.716 3.077 -4.728 1.00 0.00 O1- ATOM 51 OD2 ASP B 25 5.956 1.606 -5.790 1.00 0.00 O ATOM 0 H ASP B 25 4.711 2.430 -8.345 1.00 0.00 H new ATOM 0 HA ASP B 25 4.023 4.816 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP B 25 6.697 3.429 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.369 4.665 -6.090 1.00 0.00 H new ATOM 56 N ASP B 26 5.430 4.961 -9.731 1.00 0.00 N ATOM 57 CA ASP B 26 5.903 5.858 -10.780 1.00 0.00 C ATOM 58 C ASP B 26 5.038 7.113 -10.863 1.00 0.00 C ATOM 59 O ASP B 26 5.533 8.230 -10.710 1.00 0.00 O ATOM 60 CB ASP B 26 5.909 5.139 -12.129 1.00 0.00 C ATOM 61 CG ASP B 26 6.742 5.865 -13.169 1.00 0.00 C ATOM 62 OD1 ASP B 26 6.550 7.087 -13.334 1.00 0.00 O1- ATOM 63 OD2 ASP B 26 7.585 5.210 -13.816 1.00 0.00 O ATOM 0 H ASP B 26 5.252 4.006 -10.042 1.00 0.00 H new ATOM 0 HA ASP B 26 6.920 6.160 -10.530 1.00 0.00 H new ATOM 0 HB2 ASP B 26 6.297 4.129 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP B 26 4.885 5.042 -12.491 1.00 0.00 H new ATOM 68 N PHE B 27 3.746 6.922 -11.109 1.00 0.00 N ATOM 69 CA PHE B 27 2.815 8.039 -11.214 1.00 0.00 C ATOM 70 C PHE B 27 2.606 8.705 -9.858 1.00 0.00 C ATOM 71 O PHE B 27 2.328 9.902 -9.780 1.00 0.00 O ATOM 72 CB PHE B 27 1.474 7.564 -11.775 1.00 0.00 C ATOM 73 CG PHE B 27 0.786 6.545 -10.912 1.00 0.00 C ATOM 74 CD1 PHE B 27 0.217 6.912 -9.703 1.00 0.00 C ATOM 75 CD2 PHE B 27 0.708 5.220 -11.310 1.00 0.00 C ATOM 76 CE1 PHE B 27 -0.418 5.977 -8.908 1.00 0.00 C ATOM 77 CE2 PHE B 27 0.075 4.281 -10.518 1.00 0.00 C ATOM 78 CZ PHE B 27 -0.489 4.659 -9.316 1.00 0.00 C ATOM 0 H PHE B 27 3.320 6.004 -11.239 1.00 0.00 H new ATOM 0 HA PHE B 27 3.245 8.773 -11.895 1.00 0.00 H new ATOM 0 HB2 PHE B 27 0.817 8.425 -11.900 1.00 0.00 H new ATOM 0 HB3 PHE B 27 1.635 7.139 -12.766 1.00 0.00 H new ATOM 0 HD1 PHE B 27 0.270 7.941 -9.378 1.00 0.00 H new ATOM 0 HD2 PHE B 27 1.147 4.918 -12.249 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -0.858 6.276 -7.968 1.00 0.00 H new ATOM 0 HE2 PHE B 27 0.022 3.251 -10.839 1.00 0.00 H new ATOM 0 HZ PHE B 27 -0.984 3.926 -8.696 1.00 0.00 H new ATOM 88 N LEU B 28 2.739 7.923 -8.791 1.00 0.00 N ATOM 89 CA LEU B 28 2.562 8.439 -7.437 1.00 0.00 C ATOM 90 C LEU B 28 3.531 9.584 -7.156 1.00 0.00 C ATOM 91 O LEU B 28 3.248 10.462 -6.340 1.00 0.00 O ATOM 92 CB LEU B 28 2.764 7.321 -6.412 1.00 0.00 C ATOM 93 CG LEU B 28 2.470 7.712 -4.963 1.00 0.00 C ATOM 94 CD1 LEU B 28 1.074 8.303 -4.843 1.00 0.00 C ATOM 95 CD2 LEU B 28 2.622 6.508 -4.046 1.00 0.00 C ATOM 0 H LEU B 28 2.969 6.930 -8.837 1.00 0.00 H new ATOM 0 HA LEU B 28 1.545 8.821 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.125 6.481 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.794 6.971 -6.476 1.00 0.00 H new ATOM 0 HG LEU B 28 3.191 8.470 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.882 8.575 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.000 9.191 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.338 7.567 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.409 6.804 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.924 5.728 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.642 6.128 -4.110 1.00 0.00 H new ATOM 107 N LYS B 29 4.674 9.571 -7.836 1.00 0.00 N ATOM 108 CA LYS B 29 5.683 10.611 -7.658 1.00 0.00 C ATOM 109 C LYS B 29 5.080 11.997 -7.873 1.00 0.00 C ATOM 110 O LYS B 29 5.516 12.976 -7.269 1.00 0.00 O ATOM 111 CB LYS B 29 6.848 10.393 -8.625 1.00 0.00 C ATOM 112 CG LYS B 29 8.002 9.610 -8.019 1.00 0.00 C ATOM 113 CD LYS B 29 7.717 8.116 -8.011 1.00 0.00 C ATOM 114 CE LYS B 29 8.986 7.309 -7.791 1.00 0.00 C ATOM 115 NZ LYS B 29 9.328 7.192 -6.347 1.00 0.00 N1+ ATOM 0 H LYS B 29 4.925 8.852 -8.515 1.00 0.00 H new ATOM 0 HA LYS B 29 6.054 10.550 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.484 9.865 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS B 29 7.215 11.362 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.913 9.805 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS B 29 8.181 9.953 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.997 7.886 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.260 7.827 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.861 6.313 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS B 29 9.813 7.781 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 10.200 6.635 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.473 8.141 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.551 6.719 -5.843 1.00 0.00 H new ATOM 129 N TRP B 30 4.071 12.069 -8.735 1.00 0.00 N ATOM 130 CA TRP B 30 3.403 13.331 -9.029 1.00 0.00 C ATOM 131 C TRP B 30 2.737 13.894 -7.776 1.00 0.00 C ATOM 132 O TRP B 30 2.756 15.102 -7.541 1.00 0.00 O ATOM 133 CB TRP B 30 2.364 13.132 -10.137 1.00 0.00 C ATOM 134 CG TRP B 30 1.499 14.334 -10.373 1.00 0.00 C ATOM 135 CD1 TRP B 30 1.696 15.322 -11.295 1.00 0.00 C ATOM 136 CD2 TRP B 30 0.297 14.673 -9.672 1.00 0.00 C ATOM 137 NE1 TRP B 30 0.692 16.254 -11.209 1.00 0.00 N ATOM 138 CE2 TRP B 30 -0.180 15.878 -10.220 1.00 0.00 C ATOM 139 CE3 TRP B 30 -0.422 14.074 -8.633 1.00 0.00 C ATOM 140 CZ2 TRP B 30 -1.343 16.495 -9.765 1.00 0.00 C ATOM 141 CZ3 TRP B 30 -1.576 14.687 -8.182 1.00 0.00 C ATOM 142 CH2 TRP B 30 -2.026 15.886 -8.748 1.00 0.00 C ATOM 0 H TRP B 30 3.698 11.267 -9.243 1.00 0.00 H new ATOM 0 HA TRP B 30 4.152 14.046 -9.370 1.00 0.00 H new ATOM 0 HB2 TRP B 30 2.878 12.877 -11.064 1.00 0.00 H new ATOM 0 HB3 TRP B 30 1.730 12.283 -9.881 1.00 0.00 H new ATOM 0 HD1 TRP B 30 2.521 15.364 -11.990 1.00 0.00 H new ATOM 0 HE1 TRP B 30 0.608 17.090 -11.787 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -0.082 13.149 -8.191 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -1.693 17.420 -10.199 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -2.140 14.234 -7.380 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -2.932 16.340 -8.374 1.00 0.00 H new ATOM 153 N TRP B 31 2.151 13.010 -6.975 1.00 0.00 N ATOM 154 CA TRP B 31 1.480 13.418 -5.747 1.00 0.00 C ATOM 155 C TRP B 31 2.451 14.117 -4.801 1.00 0.00 C ATOM 156 O TRP B 31 2.060 14.991 -4.028 1.00 0.00 O ATOM 157 CB TRP B 31 0.857 12.205 -5.054 1.00 0.00 C ATOM 158 CG TRP B 31 -0.497 12.481 -4.474 1.00 0.00 C ATOM 159 CD1 TRP B 31 -0.773 13.167 -3.327 1.00 0.00 C ATOM 160 CD2 TRP B 31 -1.760 12.077 -5.015 1.00 0.00 C ATOM 161 NE1 TRP B 31 -2.130 13.215 -3.121 1.00 0.00 N ATOM 162 CE2 TRP B 31 -2.758 12.552 -4.143 1.00 0.00 C ATOM 163 CE3 TRP B 31 -2.145 11.360 -6.152 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -4.114 12.334 -4.373 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -3.491 11.143 -6.379 1.00 0.00 C ATOM 166 CH2 TRP B 31 -4.462 11.629 -5.493 1.00 0.00 C ATOM 0 H TRP B 31 2.127 12.006 -7.155 1.00 0.00 H new ATOM 0 HA TRP B 31 0.691 14.122 -6.011 1.00 0.00 H new ATOM 0 HB2 TRP B 31 0.777 11.388 -5.771 1.00 0.00 H new ATOM 0 HB3 TRP B 31 1.523 11.868 -4.259 1.00 0.00 H new ATOM 0 HD1 TRP B 31 -0.032 13.608 -2.676 1.00 0.00 H new ATOM 0 HE1 TRP B 31 -2.595 13.670 -2.335 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -1.404 10.982 -6.841 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -4.864 12.708 -3.692 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -3.800 10.590 -7.254 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -5.506 11.443 -5.698 1.00 0.00 H new ATOM 177 N ARG B 32 3.720 13.725 -4.868 1.00 0.00 N ATOM 178 CA ARG B 32 4.748 14.315 -4.017 1.00 0.00 C ATOM 179 C ARG B 32 4.852 15.818 -4.251 1.00 0.00 C ATOM 180 O ARG B 32 5.046 16.590 -3.312 1.00 0.00 O ATOM 181 CB ARG B 32 6.100 13.651 -4.282 1.00 0.00 C ATOM 182 CG ARG B 32 7.113 13.869 -3.169 1.00 0.00 C ATOM 183 CD ARG B 32 8.523 14.012 -3.719 1.00 0.00 C ATOM 184 NE ARG B 32 8.881 15.409 -3.950 1.00 0.00 N ATOM 185 CZ ARG B 32 9.004 16.313 -2.980 1.00 0.00 C ATOM 186 NH1 ARG B 32 8.800 15.970 -1.713 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 9.332 17.563 -3.277 1.00 0.00 N ATOM 0 H ARG B 32 4.061 13.002 -5.502 1.00 0.00 H new ATOM 0 HA ARG B 32 4.465 14.147 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.949 12.580 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG B 32 6.509 14.038 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG B 32 6.849 14.764 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG B 32 7.076 13.031 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.232 13.567 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.606 13.457 -4.654 1.00 0.00 H new ATOM 0 HE ARG B 32 9.046 15.710 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG B 32 8.548 15.010 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG B 32 8.896 16.667 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG B 32 9.490 17.832 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG B 32 9.426 18.256 -2.534 1.00 0.00 H new ATOM 201 N SER B 33 4.722 16.226 -5.509 1.00 0.00 N ATOM 202 CA SER B 33 4.801 17.639 -5.866 1.00 0.00 C ATOM 203 C SER B 33 3.518 18.369 -5.485 1.00 0.00 C ATOM 204 O SER B 33 3.542 19.554 -5.150 1.00 0.00 O ATOM 205 CB SER B 33 5.063 17.793 -7.365 1.00 0.00 C ATOM 206 OG SER B 33 6.445 17.668 -7.657 1.00 0.00 O ATOM 0 H SER B 33 4.562 15.600 -6.298 1.00 0.00 H new ATOM 0 HA SER B 33 5.628 18.083 -5.312 1.00 0.00 H new ATOM 0 HB2 SER B 33 4.502 17.037 -7.915 1.00 0.00 H new ATOM 0 HB3 SER B 33 4.703 18.765 -7.702 1.00 0.00 H new ATOM 0 HG SER B 33 6.586 17.769 -8.622 1.00 0.00 H new ATOM 212 N GLU B 34 2.399 17.655 -5.537 1.00 0.00 N ATOM 213 CA GLU B 34 1.105 18.234 -5.196 1.00 0.00 C ATOM 214 C GLU B 34 1.073 18.672 -3.735 1.00 0.00 C ATOM 215 O GLU B 34 0.408 19.648 -3.383 1.00 0.00 O ATOM 216 CB GLU B 34 -0.016 17.228 -5.464 1.00 0.00 C ATOM 217 CG GLU B 34 -1.408 17.831 -5.376 1.00 0.00 C ATOM 218 CD GLU B 34 -1.726 18.737 -6.550 1.00 0.00 C ATOM 219 OE1 GLU B 34 -1.160 19.848 -6.612 1.00 0.00 O1- ATOM 220 OE2 GLU B 34 -2.542 18.334 -7.406 1.00 0.00 O ATOM 0 H GLU B 34 2.362 16.674 -5.812 1.00 0.00 H new ATOM 0 HA GLU B 34 0.952 19.112 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.123 16.798 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU B 34 0.062 16.410 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -2.145 17.029 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -1.496 18.398 -4.450 1.00 0.00 H new ATOM 227 N GLU B 35 1.794 17.945 -2.888 1.00 0.00 N ATOM 228 CA GLU B 35 1.849 18.259 -1.465 1.00 0.00 C ATOM 229 C GLU B 35 3.054 19.140 -1.138 1.00 0.00 C ATOM 230 O GLU B 35 3.440 19.267 0.023 1.00 0.00 O ATOM 231 CB GLU B 35 1.908 16.971 -0.642 1.00 0.00 C ATOM 232 CG GLU B 35 0.663 16.108 -0.771 1.00 0.00 C ATOM 233 CD GLU B 35 0.265 15.459 0.539 1.00 0.00 C ATOM 234 OE1 GLU B 35 1.099 14.732 1.119 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 -0.881 15.676 0.986 1.00 0.00 O ATOM 0 H GLU B 35 2.349 17.134 -3.162 1.00 0.00 H new ATOM 0 HA GLU B 35 0.944 18.810 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.776 16.390 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU B 35 2.055 17.227 0.407 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -0.163 16.720 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU B 35 0.838 15.333 -1.517 1.00 0.00 H new ATOM 242 N ALA B 36 3.643 19.747 -2.165 1.00 0.00 N ATOM 243 CA ALA B 36 4.800 20.613 -1.977 1.00 0.00 C ATOM 244 C ALA B 36 4.373 22.057 -1.736 1.00 0.00 C ATOM 245 O ALA B 36 4.349 22.868 -2.661 1.00 0.00 O ATOM 246 CB ALA B 36 5.725 20.527 -3.182 1.00 0.00 C ATOM 0 H ALA B 36 3.338 19.654 -3.134 1.00 0.00 H new ATOM 0 HA ALA B 36 5.339 20.270 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA B 36 6.585 21.179 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA B 36 6.066 19.499 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA B 36 5.187 20.841 -4.077 1.00 0.00 H new ATOM 252 N GLN B 37 4.036 22.369 -0.490 1.00 0.00 N ATOM 253 CA GLN B 37 3.609 23.715 -0.127 1.00 0.00 C ATOM 254 C GLN B 37 3.948 24.020 1.327 1.00 0.00 C ATOM 255 O GLN B 37 3.462 23.354 2.241 1.00 0.00 O ATOM 256 CB GLN B 37 2.104 23.874 -0.358 1.00 0.00 C ATOM 257 CG GLN B 37 1.667 23.539 -1.774 1.00 0.00 C ATOM 258 CD GLN B 37 0.189 23.792 -2.003 1.00 0.00 C ATOM 259 OE1 GLN B 37 -0.610 22.858 -2.067 1.00 0.00 O ATOM 260 NE2 GLN B 37 -0.181 25.061 -2.128 1.00 0.00 N ATOM 0 H GLN B 37 4.050 21.708 0.286 1.00 0.00 H new ATOM 0 HA GLN B 37 4.144 24.423 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN B 37 1.568 23.231 0.340 1.00 0.00 H new ATOM 0 HB3 GLN B 37 1.817 24.901 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN B 37 2.247 24.133 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN B 37 1.889 22.492 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN B 37 0.516 25.804 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.162 25.293 -2.284 1.00 0.00 H new ATOM 269 N ASP B 38 4.783 25.033 1.535 1.00 0.00 N ATOM 270 CA ASP B 38 5.187 25.428 2.879 1.00 0.00 C ATOM 271 C ASP B 38 4.165 26.376 3.499 1.00 0.00 C ATOM 272 O ASP B 38 3.770 26.212 4.652 1.00 0.00 O ATOM 273 CB ASP B 38 6.564 26.093 2.846 1.00 0.00 C ATOM 274 CG ASP B 38 7.336 25.889 4.135 1.00 0.00 C ATOM 275 OD1 ASP B 38 7.932 24.805 4.305 1.00 0.00 O ATOM 276 OD2 ASP B 38 7.345 26.814 4.976 1.00 0.00 O1- ATOM 0 H ASP B 38 5.193 25.595 0.789 1.00 0.00 H new ATOM 0 HA ASP B 38 5.240 24.529 3.494 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.140 25.689 2.013 1.00 0.00 H new ATOM 0 HB3 ASP B 38 6.444 27.161 2.662 1.00 0.00 H new ATOM 281 N MET B 39 3.741 27.369 2.724 1.00 0.00 N ATOM 282 CA MET B 39 2.766 28.344 3.195 1.00 0.00 C ATOM 283 C MET B 39 1.448 27.665 3.554 1.00 0.00 C ATOM 284 O MET B 39 0.775 28.058 4.506 1.00 0.00 O ATOM 285 CB MET B 39 2.527 29.415 2.129 1.00 0.00 C ATOM 286 CG MET B 39 3.567 30.525 2.138 1.00 0.00 C ATOM 287 SD MET B 39 2.893 32.111 1.611 1.00 0.00 S ATOM 288 CE MET B 39 3.439 32.162 -0.094 1.00 0.00 C ATOM 0 H MET B 39 4.058 27.519 1.766 1.00 0.00 H new ATOM 0 HA MET B 39 3.167 28.817 4.091 1.00 0.00 H new ATOM 0 HB2 MET B 39 2.520 28.943 1.147 1.00 0.00 H new ATOM 0 HB3 MET B 39 1.540 29.852 2.280 1.00 0.00 H new ATOM 0 HG2 MET B 39 3.978 30.625 3.143 1.00 0.00 H new ATOM 0 HG3 MET B 39 4.393 30.249 1.482 1.00 0.00 H new ATOM 0 HE1 MET B 39 3.098 33.088 -0.558 1.00 0.00 H new ATOM 0 HE2 MET B 39 4.528 32.118 -0.129 1.00 0.00 H new ATOM 0 HE3 MET B 39 3.024 31.311 -0.635 1.00 0.00 H new ATOM 298 N GLY B 40 1.086 26.644 2.784 1.00 0.00 N ATOM 299 CA GLY B 40 -0.150 25.926 3.037 1.00 0.00 C ATOM 300 C GLY B 40 -0.093 25.103 4.310 1.00 0.00 C ATOM 301 O GLY B 40 -1.159 24.636 4.761 1.00 0.00 O ATOM 302 OXT GLY B 40 1.017 24.927 4.853 1.00 0.00 O ATOM 0 H GLY B 40 1.626 26.301 1.990 1.00 0.00 H new ATOM 0 HA2 GLY B 40 -0.973 26.638 3.105 1.00 0.00 H new ATOM 0 HA3 GLY B 40 -0.365 25.270 2.193 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -6.725 -7.736 7.457 1.00 0.00 N ATOM 308 CA MET A 1 -5.561 -8.419 6.834 1.00 0.00 C ATOM 309 C MET A 1 -4.279 -7.619 7.038 1.00 0.00 C ATOM 310 O MET A 1 -4.307 -6.390 7.109 1.00 0.00 O ATOM 311 CB MET A 1 -5.841 -8.595 5.340 1.00 0.00 C ATOM 312 CG MET A 1 -5.968 -7.281 4.585 1.00 0.00 C ATOM 313 SD MET A 1 -7.616 -6.563 4.714 1.00 0.00 S ATOM 314 CE MET A 1 -7.829 -5.906 3.061 1.00 0.00 C ATOM 0 H1 MET A 1 -7.554 -8.362 7.422 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.504 -7.508 8.447 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.932 -6.859 6.938 1.00 0.00 H new ATOM 0 HA MET A 1 -5.421 -9.391 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.039 -9.184 4.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.761 -9.166 5.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.236 -6.572 4.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.729 -7.445 3.534 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.888 -5.904 2.804 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.444 -4.887 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.285 -6.527 2.350 1.00 0.00 H new ATOM 326 N GLN A 2 -3.155 -8.323 7.129 1.00 0.00 N ATOM 327 CA GLN A 2 -1.862 -7.676 7.321 1.00 0.00 C ATOM 328 C GLN A 2 -1.338 -7.116 6.003 1.00 0.00 C ATOM 329 O GLN A 2 -0.587 -7.780 5.290 1.00 0.00 O ATOM 330 CB GLN A 2 -0.854 -8.667 7.908 1.00 0.00 C ATOM 331 CG GLN A 2 -0.666 -8.525 9.411 1.00 0.00 C ATOM 332 CD GLN A 2 -0.826 -9.841 10.146 1.00 0.00 C ATOM 333 OE1 GLN A 2 -1.860 -10.502 10.043 1.00 0.00 O ATOM 334 NE2 GLN A 2 0.201 -10.229 10.893 1.00 0.00 N ATOM 0 H GLN A 2 -3.114 -9.341 7.073 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.994 -6.850 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.183 -9.682 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.108 -8.529 7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.325 -8.119 9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.389 -7.807 9.798 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.039 -9.649 10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.152 -11.107 11.411 1.00 0.00 H new ATOM 343 N ILE A 3 -1.740 -5.889 5.685 1.00 0.00 N ATOM 344 CA ILE A 3 -1.313 -5.240 4.452 1.00 0.00 C ATOM 345 C ILE A 3 0.001 -4.496 4.653 1.00 0.00 C ATOM 346 O ILE A 3 0.486 -4.370 5.776 1.00 0.00 O ATOM 347 CB ILE A 3 -2.377 -4.250 3.941 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.754 -3.260 5.044 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.605 -5.000 3.449 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.310 -1.958 4.524 1.00 0.00 C ATOM 0 H ILE A 3 -2.361 -5.325 6.265 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.174 -6.027 3.710 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.960 -3.690 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.491 -3.724 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.873 -3.052 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.348 -4.287 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.322 -5.668 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.027 -5.584 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.555 -1.306 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.567 -1.472 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.210 -2.154 3.942 1.00 0.00 H new ATOM 362 N PHE A 4 0.575 -4.002 3.560 1.00 0.00 N ATOM 363 CA PHE A 4 1.832 -3.269 3.629 1.00 0.00 C ATOM 364 C PHE A 4 1.687 -1.879 3.020 1.00 0.00 C ATOM 365 O PHE A 4 1.696 -1.718 1.799 1.00 0.00 O ATOM 366 CB PHE A 4 2.946 -4.049 2.923 1.00 0.00 C ATOM 367 CG PHE A 4 3.978 -4.581 3.874 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.644 -3.725 4.734 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.269 -5.934 3.925 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.582 -4.203 5.629 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.209 -6.421 4.813 1.00 0.00 C ATOM 372 CZ PHE A 4 5.865 -5.554 5.668 1.00 0.00 C ATOM 0 H PHE A 4 0.190 -4.096 2.620 1.00 0.00 H new ATOM 0 HA PHE A 4 2.099 -3.153 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.507 -4.879 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.431 -3.400 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.427 -2.667 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.756 -6.616 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.092 -3.523 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.431 -7.478 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.598 -5.933 6.365 1.00 0.00 H new ATOM 382 N VAL A 5 1.556 -0.877 3.882 1.00 0.00 N ATOM 383 CA VAL A 5 1.411 0.502 3.436 1.00 0.00 C ATOM 384 C VAL A 5 2.761 1.092 3.044 1.00 0.00 C ATOM 385 O VAL A 5 3.620 1.320 3.896 1.00 0.00 O ATOM 386 CB VAL A 5 0.775 1.383 4.527 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.451 2.765 3.979 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.474 0.719 5.090 1.00 0.00 C ATOM 0 H VAL A 5 1.547 -0.995 4.895 1.00 0.00 H new ATOM 0 HA VAL A 5 0.754 0.488 2.566 1.00 0.00 H new ATOM 0 HB VAL A 5 1.494 1.499 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.002 3.372 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.367 3.242 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.249 2.672 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.909 1.356 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.199 0.570 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.209 -0.245 5.524 1.00 0.00 H new ATOM 398 N LYS A 6 2.940 1.335 1.749 1.00 0.00 N ATOM 399 CA LYS A 6 4.185 1.897 1.240 1.00 0.00 C ATOM 400 C LYS A 6 4.082 3.412 1.096 1.00 0.00 C ATOM 401 O LYS A 6 3.037 3.939 0.717 1.00 0.00 O ATOM 402 CB LYS A 6 4.537 1.270 -0.110 1.00 0.00 C ATOM 403 CG LYS A 6 5.911 1.666 -0.626 1.00 0.00 C ATOM 404 CD LYS A 6 6.537 0.556 -1.453 1.00 0.00 C ATOM 405 CE LYS A 6 8.026 0.786 -1.657 1.00 0.00 C ATOM 406 NZ LYS A 6 8.626 -0.234 -2.561 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.237 1.151 1.033 1.00 0.00 H new ATOM 0 HA LYS A 6 4.974 1.671 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.491 0.185 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.785 1.561 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.827 2.569 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.562 1.905 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.380 -0.402 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.041 0.498 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.186 1.780 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.533 0.760 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.642 -0.043 -2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.496 -1.181 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.160 -0.192 -3.490 1.00 0.00 H new ATOM 420 N THR A 7 5.173 4.106 1.402 1.00 0.00 N ATOM 421 CA THR A 7 5.206 5.561 1.304 1.00 0.00 C ATOM 422 C THR A 7 5.998 6.008 0.081 1.00 0.00 C ATOM 423 O THR A 7 6.712 5.214 -0.532 1.00 0.00 O ATOM 424 CB THR A 7 5.818 6.164 2.570 1.00 0.00 C ATOM 425 OG1 THR A 7 7.205 5.888 2.637 1.00 0.00 O ATOM 426 CG2 THR A 7 5.185 5.648 3.846 1.00 0.00 C ATOM 0 H THR A 7 6.046 3.685 1.720 1.00 0.00 H new ATOM 0 HA THR A 7 4.181 5.915 1.199 1.00 0.00 H new ATOM 0 HB THR A 7 5.631 7.236 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.708 6.727 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.665 6.116 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.122 5.890 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.311 4.567 3.904 1.00 0.00 H new ATOM 434 N LEU A 8 5.867 7.283 -0.270 1.00 0.00 N ATOM 435 CA LEU A 8 6.571 7.837 -1.421 1.00 0.00 C ATOM 436 C LEU A 8 8.080 7.685 -1.261 1.00 0.00 C ATOM 437 O LEU A 8 8.774 7.268 -2.188 1.00 0.00 O ATOM 438 CB LEU A 8 6.212 9.312 -1.606 1.00 0.00 C ATOM 439 CG LEU A 8 4.964 9.572 -2.453 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.099 10.652 -1.829 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.352 9.984 -3.858 1.00 0.00 C ATOM 0 H LEU A 8 5.279 7.953 0.227 1.00 0.00 H new ATOM 0 HA LEU A 8 6.260 7.282 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.066 9.761 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.058 9.821 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 8 4.392 8.645 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.219 10.817 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.786 10.338 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.670 11.578 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.452 10.165 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.949 10.895 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.935 9.189 -4.322 1.00 0.00 H new ATOM 453 N THR A 9 8.581 8.025 -0.078 1.00 0.00 N ATOM 454 CA THR A 9 10.008 7.926 0.204 1.00 0.00 C ATOM 455 C THR A 9 10.497 6.490 0.040 1.00 0.00 C ATOM 456 O THR A 9 11.655 6.253 -0.302 1.00 0.00 O ATOM 457 CB THR A 9 10.304 8.418 1.622 1.00 0.00 C ATOM 458 OG1 THR A 9 9.394 7.853 2.549 1.00 0.00 O ATOM 459 CG2 THR A 9 10.227 9.923 1.761 1.00 0.00 C ATOM 0 H THR A 9 8.020 8.371 0.700 1.00 0.00 H new ATOM 0 HA THR A 9 10.538 8.556 -0.510 1.00 0.00 H new ATOM 0 HB THR A 9 11.326 8.102 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.601 8.178 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.447 10.205 2.791 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.953 10.388 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.225 10.262 1.499 1.00 0.00 H new ATOM 467 N GLY A 10 9.605 5.535 0.284 1.00 0.00 N ATOM 468 CA GLY A 10 9.963 4.134 0.158 1.00 0.00 C ATOM 469 C GLY A 10 9.904 3.399 1.482 1.00 0.00 C ATOM 470 O GLY A 10 10.835 2.676 1.840 1.00 0.00 O ATOM 0 H GLY A 10 8.640 5.707 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.290 3.653 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.969 4.055 -0.253 1.00 0.00 H new ATOM 474 N LYS A 11 8.807 3.582 2.211 1.00 0.00 N ATOM 475 CA LYS A 11 8.631 2.930 3.503 1.00 0.00 C ATOM 476 C LYS A 11 7.372 2.070 3.513 1.00 0.00 C ATOM 477 O LYS A 11 6.255 2.587 3.504 1.00 0.00 O ATOM 478 CB LYS A 11 8.561 3.972 4.620 1.00 0.00 C ATOM 479 CG LYS A 11 8.374 3.372 6.005 1.00 0.00 C ATOM 480 CD LYS A 11 9.698 3.132 6.698 1.00 0.00 C ATOM 481 CE LYS A 11 9.847 1.685 7.142 1.00 0.00 C ATOM 482 NZ LYS A 11 11.213 1.401 7.661 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.028 4.176 1.929 1.00 0.00 H new ATOM 0 HA LYS A 11 9.491 2.283 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.476 4.564 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.737 4.656 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.763 4.041 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.831 2.430 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.514 3.391 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.780 3.789 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.112 1.465 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.633 1.024 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.273 0.405 7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.913 1.586 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.408 2.014 8.478 1.00 0.00 H new ATOM 496 N THR A 12 7.562 0.755 3.538 1.00 0.00 N ATOM 497 CA THR A 12 6.447 -0.182 3.557 1.00 0.00 C ATOM 498 C THR A 12 6.341 -0.858 4.920 1.00 0.00 C ATOM 499 O THR A 12 7.253 -1.570 5.339 1.00 0.00 O ATOM 500 CB THR A 12 6.621 -1.237 2.463 1.00 0.00 C ATOM 501 OG1 THR A 12 7.335 -0.702 1.362 1.00 0.00 O ATOM 502 CG2 THR A 12 5.311 -1.779 1.939 1.00 0.00 C ATOM 0 H THR A 12 8.482 0.314 3.546 1.00 0.00 H new ATOM 0 HA THR A 12 5.528 0.374 3.369 1.00 0.00 H new ATOM 0 HB THR A 12 7.170 -2.053 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.438 -1.391 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.508 -2.522 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.756 -2.242 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.723 -0.964 1.517 1.00 0.00 H new ATOM 510 N ILE A 13 5.229 -0.627 5.614 1.00 0.00 N ATOM 511 CA ILE A 13 5.029 -1.215 6.935 1.00 0.00 C ATOM 512 C ILE A 13 3.817 -2.140 6.972 1.00 0.00 C ATOM 513 O ILE A 13 2.788 -1.863 6.355 1.00 0.00 O ATOM 514 CB ILE A 13 4.855 -0.136 8.017 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.118 0.693 8.154 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.527 -0.780 9.341 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.319 -0.132 8.505 1.00 0.00 C ATOM 0 H ILE A 13 4.460 -0.042 5.287 1.00 0.00 H new ATOM 0 HA ILE A 13 5.928 -1.796 7.142 1.00 0.00 H new ATOM 0 HB ILE A 13 4.036 0.519 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.305 1.219 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.967 1.452 8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.406 -0.008 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.601 -1.348 9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.337 -1.450 9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.192 0.515 8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.148 -0.637 9.456 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.491 -0.874 7.725 1.00 0.00 H new ATOM 529 N THR A 14 3.948 -3.237 7.714 1.00 0.00 N ATOM 530 CA THR A 14 2.867 -4.201 7.851 1.00 0.00 C ATOM 531 C THR A 14 1.806 -3.667 8.804 1.00 0.00 C ATOM 532 O THR A 14 2.042 -3.541 10.005 1.00 0.00 O ATOM 533 CB THR A 14 3.401 -5.541 8.362 1.00 0.00 C ATOM 534 OG1 THR A 14 4.801 -5.630 8.173 1.00 0.00 O ATOM 535 CG2 THR A 14 2.767 -6.734 7.678 1.00 0.00 C ATOM 0 H THR A 14 4.795 -3.478 8.229 1.00 0.00 H new ATOM 0 HA THR A 14 2.419 -4.357 6.870 1.00 0.00 H new ATOM 0 HB THR A 14 3.146 -5.570 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.004 -5.603 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.188 -7.653 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.691 -6.722 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.965 -6.687 6.607 1.00 0.00 H new ATOM 543 N LEU A 15 0.644 -3.343 8.257 1.00 0.00 N ATOM 544 CA LEU A 15 -0.449 -2.809 9.054 1.00 0.00 C ATOM 545 C LEU A 15 -1.721 -3.624 8.842 1.00 0.00 C ATOM 546 O LEU A 15 -2.153 -3.842 7.708 1.00 0.00 O ATOM 547 CB LEU A 15 -0.678 -1.340 8.689 1.00 0.00 C ATOM 548 CG LEU A 15 -1.415 -0.510 9.739 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.745 -1.152 10.089 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.556 -0.341 10.984 1.00 0.00 C ATOM 0 H LEU A 15 0.434 -3.441 7.264 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.185 -2.875 10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.290 -0.876 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.242 -1.299 7.757 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.612 0.478 9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.255 -0.547 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.363 -1.219 9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.573 -2.152 10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.097 0.253 11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.327 -1.321 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.372 0.166 10.720 1.00 0.00 H new ATOM 562 N GLU A 16 -2.311 -4.080 9.943 1.00 0.00 N ATOM 563 CA GLU A 16 -3.529 -4.878 9.888 1.00 0.00 C ATOM 564 C GLU A 16 -4.766 -3.987 9.847 1.00 0.00 C ATOM 565 O GLU A 16 -4.913 -3.074 10.661 1.00 0.00 O ATOM 566 CB GLU A 16 -3.602 -5.817 11.094 1.00 0.00 C ATOM 567 CG GLU A 16 -4.832 -6.700 11.106 1.00 0.00 C ATOM 568 CD GLU A 16 -4.738 -7.850 10.121 1.00 0.00 C ATOM 569 OE1 GLU A 16 -3.613 -8.157 9.674 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -5.788 -8.442 9.799 1.00 0.00 O ATOM 0 H GLU A 16 -1.963 -3.909 10.886 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.503 -5.471 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.713 -6.448 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.584 -5.223 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.978 -7.098 12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.709 -6.097 10.871 1.00 0.00 H new ATOM 577 N VAL A 17 -5.654 -4.261 8.897 1.00 0.00 N ATOM 578 CA VAL A 17 -6.880 -3.489 8.750 1.00 0.00 C ATOM 579 C VAL A 17 -8.010 -4.355 8.207 1.00 0.00 C ATOM 580 O VAL A 17 -7.902 -4.925 7.122 1.00 0.00 O ATOM 581 CB VAL A 17 -6.679 -2.282 7.814 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.919 -1.172 8.525 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.956 -2.706 6.545 1.00 0.00 C ATOM 0 H VAL A 17 -5.546 -5.013 8.217 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.146 -3.127 9.743 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.659 -1.896 7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.787 -0.329 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.482 -0.849 9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.942 -1.542 8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.823 -1.841 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.981 -3.120 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.545 -3.462 6.026 1.00 0.00 H new ATOM 593 N GLU A 18 -9.096 -4.450 8.968 1.00 0.00 N ATOM 594 CA GLU A 18 -10.247 -5.249 8.561 1.00 0.00 C ATOM 595 C GLU A 18 -10.814 -4.749 7.234 1.00 0.00 C ATOM 596 O GLU A 18 -10.940 -3.543 7.020 1.00 0.00 O ATOM 597 CB GLU A 18 -11.330 -5.206 9.640 1.00 0.00 C ATOM 598 CG GLU A 18 -11.000 -6.042 10.866 1.00 0.00 C ATOM 599 CD GLU A 18 -9.883 -5.443 11.697 1.00 0.00 C ATOM 600 OE1 GLU A 18 -8.705 -5.751 11.419 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -10.186 -4.665 12.627 1.00 0.00 O ATOM 0 H GLU A 18 -9.203 -3.984 9.869 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.916 -6.279 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.485 -4.172 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.270 -5.556 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.893 -6.143 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.715 -7.046 10.551 1.00 0.00 H new ATOM 608 N PRO A 19 -11.167 -5.670 6.318 1.00 0.00 N ATOM 609 CA PRO A 19 -11.723 -5.306 5.010 1.00 0.00 C ATOM 610 C PRO A 19 -12.952 -4.412 5.132 1.00 0.00 C ATOM 611 O PRO A 19 -13.253 -3.627 4.232 1.00 0.00 O ATOM 612 CB PRO A 19 -12.103 -6.653 4.390 1.00 0.00 C ATOM 613 CG PRO A 19 -11.242 -7.650 5.085 1.00 0.00 C ATOM 614 CD PRO A 19 -11.054 -7.131 6.481 1.00 0.00 C ATOM 0 HA PRO A 19 -11.012 -4.735 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.160 -6.872 4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.924 -6.658 3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.713 -8.633 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.284 -7.760 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.813 -7.520 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.084 -7.416 6.889 1.00 0.00 H new ATOM 622 N SER A 20 -13.663 -4.538 6.249 1.00 0.00 N ATOM 623 CA SER A 20 -14.862 -3.743 6.485 1.00 0.00 C ATOM 624 C SER A 20 -14.554 -2.535 7.367 1.00 0.00 C ATOM 625 O SER A 20 -15.330 -2.190 8.258 1.00 0.00 O ATOM 626 CB SER A 20 -15.947 -4.602 7.137 1.00 0.00 C ATOM 627 OG SER A 20 -16.476 -5.541 6.217 1.00 0.00 O ATOM 0 H SER A 20 -13.429 -5.183 7.004 1.00 0.00 H new ATOM 0 HA SER A 20 -15.222 -3.382 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.532 -5.126 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.747 -3.962 7.509 1.00 0.00 H new ATOM 0 HG SER A 20 -17.166 -6.079 6.659 1.00 0.00 H new ATOM 633 N ASP A 21 -13.418 -1.895 7.110 1.00 0.00 N ATOM 634 CA ASP A 21 -13.009 -0.726 7.879 1.00 0.00 C ATOM 635 C ASP A 21 -12.624 0.425 6.955 1.00 0.00 C ATOM 636 O ASP A 21 -11.889 0.237 5.986 1.00 0.00 O ATOM 637 CB ASP A 21 -11.835 -1.074 8.795 1.00 0.00 C ATOM 638 CG ASP A 21 -12.273 -1.818 10.040 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.351 -2.449 10.006 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -11.539 -1.773 11.049 1.00 0.00 O ATOM 0 H ASP A 21 -12.765 -2.166 6.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.855 -0.412 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.117 -1.683 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.320 -0.158 9.085 1.00 0.00 H new ATOM 645 N THR A 22 -13.126 1.617 7.262 1.00 0.00 N ATOM 646 CA THR A 22 -12.835 2.798 6.459 1.00 0.00 C ATOM 647 C THR A 22 -11.347 3.130 6.500 1.00 0.00 C ATOM 648 O THR A 22 -10.598 2.562 7.295 1.00 0.00 O ATOM 649 CB THR A 22 -13.649 3.993 6.956 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.381 4.247 8.323 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.144 3.802 6.810 1.00 0.00 C ATOM 0 H THR A 22 -13.736 1.790 8.061 1.00 0.00 H new ATOM 0 HA THR A 22 -13.113 2.582 5.427 1.00 0.00 H new ATOM 0 HB THR A 22 -13.343 4.831 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.910 5.016 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.662 4.686 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.391 3.652 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.457 2.930 7.384 1.00 0.00 H new ATOM 659 N ILE A 23 -10.924 4.050 5.640 1.00 0.00 N ATOM 660 CA ILE A 23 -9.526 4.454 5.581 1.00 0.00 C ATOM 661 C ILE A 23 -9.081 5.079 6.900 1.00 0.00 C ATOM 662 O ILE A 23 -7.917 4.976 7.286 1.00 0.00 O ATOM 663 CB ILE A 23 -9.274 5.457 4.438 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.809 4.902 3.116 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.788 5.770 4.323 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.213 3.565 2.738 1.00 0.00 C ATOM 0 H ILE A 23 -11.530 4.530 4.974 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.944 3.552 5.393 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.804 6.382 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.892 4.802 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.605 5.619 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.627 6.480 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.434 6.203 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.238 4.852 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.638 3.232 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.132 3.664 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.439 2.834 3.514 1.00 0.00 H new ATOM 678 N GLU A 24 -10.016 5.729 7.585 1.00 0.00 N ATOM 679 CA GLU A 24 -9.720 6.371 8.861 1.00 0.00 C ATOM 680 C GLU A 24 -9.201 5.360 9.879 1.00 0.00 C ATOM 681 O GLU A 24 -8.274 5.648 10.632 1.00 0.00 O ATOM 682 CB GLU A 24 -10.968 7.069 9.407 1.00 0.00 C ATOM 683 CG GLU A 24 -11.067 8.535 9.011 1.00 0.00 C ATOM 684 CD GLU A 24 -10.967 9.468 10.202 1.00 0.00 C ATOM 685 OE1 GLU A 24 -9.843 9.659 10.714 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.011 10.010 10.621 1.00 0.00 O1- ATOM 0 H GLU A 24 -10.984 5.825 7.279 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.941 7.114 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.854 6.544 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.970 6.994 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.273 8.770 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.014 8.706 8.498 1.00 0.00 H new ATOM 693 N ASN A 25 -9.804 4.173 9.895 1.00 0.00 N ATOM 694 CA ASN A 25 -9.396 3.120 10.819 1.00 0.00 C ATOM 695 C ASN A 25 -7.969 2.667 10.524 1.00 0.00 C ATOM 696 O ASN A 25 -7.228 2.266 11.423 1.00 0.00 O ATOM 697 CB ASN A 25 -10.353 1.929 10.726 1.00 0.00 C ATOM 698 CG ASN A 25 -10.016 0.836 11.721 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.261 -0.086 11.415 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.575 0.936 12.921 1.00 0.00 N ATOM 0 H ASN A 25 -10.576 3.918 9.279 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.431 3.523 11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.373 2.272 10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.322 1.519 9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.384 0.231 13.633 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.195 1.718 13.131 1.00 0.00 H new ATOM 707 N VAL A 26 -7.590 2.748 9.256 1.00 0.00 N ATOM 708 CA VAL A 26 -6.252 2.360 8.829 1.00 0.00 C ATOM 709 C VAL A 26 -5.256 3.437 9.212 1.00 0.00 C ATOM 710 O VAL A 26 -4.324 3.188 9.975 1.00 0.00 O ATOM 711 CB VAL A 26 -6.204 2.111 7.313 1.00 0.00 C ATOM 712 CG1 VAL A 26 -4.998 1.260 6.943 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.497 1.452 6.860 1.00 0.00 C ATOM 0 H VAL A 26 -8.192 3.080 8.503 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.989 1.430 9.332 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.101 3.067 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.985 1.097 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.085 1.773 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.060 0.300 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.459 1.277 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.622 0.501 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.339 2.105 7.092 1.00 0.00 H new ATOM 723 N LYS A 27 -5.486 4.653 8.724 1.00 0.00 N ATOM 724 CA LYS A 27 -4.626 5.773 9.078 1.00 0.00 C ATOM 725 C LYS A 27 -4.596 5.893 10.595 1.00 0.00 C ATOM 726 O LYS A 27 -3.636 6.389 11.182 1.00 0.00 O ATOM 727 CB LYS A 27 -5.139 7.070 8.450 1.00 0.00 C ATOM 728 CG LYS A 27 -5.319 6.982 6.945 1.00 0.00 C ATOM 729 CD LYS A 27 -4.018 6.609 6.252 1.00 0.00 C ATOM 730 CE LYS A 27 -4.233 5.527 5.205 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.095 4.161 5.781 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.251 4.884 8.090 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.620 5.598 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.092 7.334 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.442 7.876 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.083 6.241 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.675 7.939 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.590 7.493 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.297 6.262 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.225 5.638 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.512 5.655 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.899 3.574 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.209 3.731 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.080 4.222 6.819 1.00 0.00 H new ATOM 745 N ALA A 28 -5.662 5.393 11.215 1.00 0.00 N ATOM 746 CA ALA A 28 -5.795 5.382 12.657 1.00 0.00 C ATOM 747 C ALA A 28 -4.702 4.514 13.263 1.00 0.00 C ATOM 748 O ALA A 28 -3.884 4.981 14.057 1.00 0.00 O ATOM 749 CB ALA A 28 -7.168 4.847 13.028 1.00 0.00 C ATOM 0 H ALA A 28 -6.457 4.984 10.724 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.692 6.394 13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.273 4.837 14.113 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.937 5.487 12.595 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.280 3.833 12.643 1.00 0.00 H new ATOM 755 N LYS A 29 -4.685 3.246 12.861 1.00 0.00 N ATOM 756 CA LYS A 29 -3.680 2.309 13.342 1.00 0.00 C ATOM 757 C LYS A 29 -2.292 2.783 12.928 1.00 0.00 C ATOM 758 O LYS A 29 -1.347 2.740 13.716 1.00 0.00 O ATOM 759 CB LYS A 29 -3.947 0.909 12.786 1.00 0.00 C ATOM 760 CG LYS A 29 -5.235 0.287 13.297 1.00 0.00 C ATOM 761 CD LYS A 29 -5.338 -1.180 12.910 1.00 0.00 C ATOM 762 CE LYS A 29 -6.741 -1.538 12.447 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.727 -1.476 13.561 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.356 2.846 12.204 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.732 2.264 14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.985 0.961 11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.112 0.259 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.281 0.382 14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.088 0.832 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.625 -1.398 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.065 -1.802 13.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.046 -0.856 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.738 -2.541 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.013 -2.440 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.294 -1.006 14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.563 -0.938 13.255 1.00 0.00 H new ATOM 777 N ILE A 30 -2.182 3.251 11.686 1.00 0.00 N ATOM 778 CA ILE A 30 -0.916 3.755 11.169 1.00 0.00 C ATOM 779 C ILE A 30 -0.464 4.969 11.974 1.00 0.00 C ATOM 780 O ILE A 30 0.731 5.241 12.091 1.00 0.00 O ATOM 781 CB ILE A 30 -1.024 4.139 9.675 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.397 2.912 8.840 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.284 4.742 9.179 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.538 3.207 7.363 1.00 0.00 C ATOM 0 H ILE A 30 -2.955 3.291 11.021 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.181 2.956 11.265 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.808 4.888 9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.636 2.144 8.978 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.336 2.501 9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.187 5.005 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.514 5.637 9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.088 4.016 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.803 2.292 6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.319 3.952 7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.593 3.589 6.976 1.00 0.00 H new ATOM 796 N GLN A 31 -1.432 5.690 12.532 1.00 0.00 N ATOM 797 CA GLN A 31 -1.146 6.870 13.334 1.00 0.00 C ATOM 798 C GLN A 31 -0.584 6.468 14.693 1.00 0.00 C ATOM 799 O GLN A 31 0.360 7.079 15.191 1.00 0.00 O ATOM 800 CB GLN A 31 -2.415 7.708 13.513 1.00 0.00 C ATOM 801 CG GLN A 31 -2.228 8.918 14.416 1.00 0.00 C ATOM 802 CD GLN A 31 -2.401 8.581 15.885 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.398 7.980 16.283 1.00 0.00 O ATOM 804 NE2 GLN A 31 -1.426 8.970 16.698 1.00 0.00 N ATOM 0 H GLN A 31 -2.425 5.474 12.441 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.399 7.470 12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.758 8.046 12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.202 7.076 13.926 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.234 9.335 14.257 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.946 9.690 14.137 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.617 9.466 16.324 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.486 8.773 17.697 1.00 0.00 H new ATOM 813 N ASP A 32 -1.168 5.432 15.283 1.00 0.00 N ATOM 814 CA ASP A 32 -0.723 4.944 16.585 1.00 0.00 C ATOM 815 C ASP A 32 0.514 4.056 16.450 1.00 0.00 C ATOM 816 O ASP A 32 1.184 3.761 17.438 1.00 0.00 O ATOM 817 CB ASP A 32 -1.848 4.168 17.272 1.00 0.00 C ATOM 818 CG ASP A 32 -1.809 4.310 18.781 1.00 0.00 C ATOM 819 OD1 ASP A 32 -2.337 5.317 19.297 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.250 3.413 19.447 1.00 0.00 O ATOM 0 H ASP A 32 -1.950 4.914 14.882 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.458 5.808 17.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.810 4.523 16.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.773 3.113 17.007 1.00 0.00 H new ATOM 825 N LYS A 33 0.810 3.629 15.224 1.00 0.00 N ATOM 826 CA LYS A 33 1.965 2.772 14.971 1.00 0.00 C ATOM 827 C LYS A 33 3.180 3.593 14.547 1.00 0.00 C ATOM 828 O LYS A 33 4.293 3.358 15.016 1.00 0.00 O ATOM 829 CB LYS A 33 1.631 1.739 13.892 1.00 0.00 C ATOM 830 CG LYS A 33 1.360 0.347 14.444 1.00 0.00 C ATOM 831 CD LYS A 33 2.060 -0.725 13.627 1.00 0.00 C ATOM 832 CE LYS A 33 3.572 -0.584 13.700 1.00 0.00 C ATOM 833 NZ LYS A 33 4.170 -1.530 14.682 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.267 3.862 14.393 1.00 0.00 H new ATOM 0 HA LYS A 33 2.210 2.256 15.899 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.757 2.077 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.458 1.685 13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.697 0.294 15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.286 0.159 14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.768 -1.710 13.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.737 -0.660 12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.002 -0.764 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.829 0.438 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.202 -1.403 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.779 -1.342 15.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.947 -2.507 14.403 1.00 0.00 H new ATOM 847 N GLU A 34 2.961 4.550 13.650 1.00 0.00 N ATOM 848 CA GLU A 34 4.043 5.395 13.156 1.00 0.00 C ATOM 849 C GLU A 34 4.026 6.767 13.823 1.00 0.00 C ATOM 850 O GLU A 34 5.075 7.374 14.037 1.00 0.00 O ATOM 851 CB GLU A 34 3.940 5.552 11.638 1.00 0.00 C ATOM 852 CG GLU A 34 4.725 4.507 10.863 1.00 0.00 C ATOM 853 CD GLU A 34 6.029 5.047 10.311 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.995 5.180 11.092 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.084 5.340 9.098 1.00 0.00 O ATOM 0 H GLU A 34 2.046 4.759 13.251 1.00 0.00 H new ATOM 0 HA GLU A 34 4.986 4.909 13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.891 5.497 11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.297 6.543 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.934 3.659 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.114 4.135 10.041 1.00 0.00 H new ATOM 862 N GLY A 35 2.832 7.253 14.145 1.00 0.00 N ATOM 863 CA GLY A 35 2.711 8.554 14.779 1.00 0.00 C ATOM 864 C GLY A 35 2.289 9.634 13.802 1.00 0.00 C ATOM 865 O GLY A 35 2.590 10.811 14.000 1.00 0.00 O ATOM 0 H GLY A 35 1.948 6.772 13.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.983 8.495 15.588 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.666 8.827 15.228 1.00 0.00 H new ATOM 869 N ILE A 36 1.594 9.233 12.741 1.00 0.00 N ATOM 870 CA ILE A 36 1.135 10.174 11.728 1.00 0.00 C ATOM 871 C ILE A 36 -0.392 10.194 11.642 1.00 0.00 C ATOM 872 O ILE A 36 -1.023 9.149 11.484 1.00 0.00 O ATOM 873 CB ILE A 36 1.708 9.825 10.339 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.228 9.670 10.417 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.328 10.892 9.323 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.844 9.124 9.147 1.00 0.00 C ATOM 0 H ILE A 36 1.337 8.262 12.562 1.00 0.00 H new ATOM 0 HA ILE A 36 1.493 11.159 12.028 1.00 0.00 H new ATOM 0 HB ILE A 36 1.281 8.877 10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.673 10.640 10.640 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.476 9.007 11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.740 10.630 8.349 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.242 10.957 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.729 11.855 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.923 9.040 9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.426 8.140 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.627 9.798 8.318 1.00 0.00 H new ATOM 888 N PRO A 37 -1.008 11.386 11.739 1.00 0.00 N ATOM 889 CA PRO A 37 -2.465 11.526 11.665 1.00 0.00 C ATOM 890 C PRO A 37 -2.989 11.340 10.242 1.00 0.00 C ATOM 891 O PRO A 37 -2.303 11.669 9.274 1.00 0.00 O ATOM 892 CB PRO A 37 -2.706 12.958 12.141 1.00 0.00 C ATOM 893 CG PRO A 37 -1.457 13.685 11.787 1.00 0.00 C ATOM 894 CD PRO A 37 -0.338 12.688 11.924 1.00 0.00 C ATOM 0 HA PRO A 37 -2.981 10.773 12.261 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.574 13.398 11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.895 12.993 13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.508 14.075 10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.302 14.538 12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.437 12.850 11.175 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.143 12.756 12.900 1.00 0.00 H new ATOM 902 N PRO A 38 -4.215 10.807 10.093 1.00 0.00 N ATOM 903 CA PRO A 38 -4.822 10.580 8.776 1.00 0.00 C ATOM 904 C PRO A 38 -4.876 11.848 7.928 1.00 0.00 C ATOM 905 O PRO A 38 -4.978 11.781 6.703 1.00 0.00 O ATOM 906 CB PRO A 38 -6.238 10.103 9.108 1.00 0.00 C ATOM 907 CG PRO A 38 -6.145 9.559 10.492 1.00 0.00 C ATOM 908 CD PRO A 38 -5.103 10.384 11.190 1.00 0.00 C ATOM 0 HA PRO A 38 -4.244 9.868 8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.954 10.923 9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.573 9.340 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.105 9.628 11.004 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.865 8.506 10.480 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.544 11.239 11.703 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.567 9.804 11.941 1.00 0.00 H new ATOM 916 N ASP A 39 -4.812 13.001 8.585 1.00 0.00 N ATOM 917 CA ASP A 39 -4.861 14.282 7.887 1.00 0.00 C ATOM 918 C ASP A 39 -3.499 14.644 7.298 1.00 0.00 C ATOM 919 O ASP A 39 -3.417 15.323 6.276 1.00 0.00 O ATOM 920 CB ASP A 39 -5.326 15.386 8.837 1.00 0.00 C ATOM 921 CG ASP A 39 -6.805 15.289 9.157 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.625 15.465 8.231 1.00 0.00 O ATOM 923 OD2 ASP A 39 -7.143 15.035 10.332 1.00 0.00 O1- ATOM 0 H ASP A 39 -4.726 13.076 9.599 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.574 14.188 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.753 15.331 9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.117 16.358 8.390 1.00 0.00 H new ATOM 928 N GLN A 40 -2.434 14.192 7.952 1.00 0.00 N ATOM 929 CA GLN A 40 -1.079 14.476 7.491 1.00 0.00 C ATOM 930 C GLN A 40 -0.662 13.517 6.381 1.00 0.00 C ATOM 931 O GLN A 40 0.148 13.865 5.522 1.00 0.00 O ATOM 932 CB GLN A 40 -0.092 14.383 8.655 1.00 0.00 C ATOM 933 CG GLN A 40 -0.080 15.617 9.542 1.00 0.00 C ATOM 934 CD GLN A 40 0.940 15.521 10.661 1.00 0.00 C ATOM 935 OE1 GLN A 40 0.532 15.901 11.866 1.00 0.00 O flip ATOM 936 NE2 GLN A 40 2.080 15.110 10.445 1.00 0.00 N flip ATOM 0 H GLN A 40 -2.482 13.629 8.801 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.068 15.490 7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.340 13.512 9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.910 14.221 8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.135 16.495 8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.072 15.762 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.351 14.828 9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.754 15.051 11.208 1.00 0.00 H new ATOM 945 N GLN A 41 -1.215 12.308 6.406 1.00 0.00 N ATOM 946 CA GLN A 41 -0.890 11.303 5.401 1.00 0.00 C ATOM 947 C GLN A 41 -2.148 10.799 4.701 1.00 0.00 C ATOM 948 O GLN A 41 -3.215 10.706 5.306 1.00 0.00 O ATOM 949 CB GLN A 41 -0.150 10.130 6.047 1.00 0.00 C ATOM 950 CG GLN A 41 -0.995 9.355 7.044 1.00 0.00 C ATOM 951 CD GLN A 41 -0.158 8.534 8.006 1.00 0.00 C ATOM 952 OE1 GLN A 41 1.013 8.257 7.747 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.758 8.140 9.123 1.00 0.00 N ATOM 0 H GLN A 41 -1.888 12.002 7.109 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.246 11.769 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.190 9.451 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.740 10.506 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.613 10.052 7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.673 8.694 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.731 8.393 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.246 7.584 9.808 1.00 0.00 H new ATOM 962 N ARG A 42 -2.010 10.470 3.420 1.00 0.00 N ATOM 963 CA ARG A 42 -3.131 9.967 2.632 1.00 0.00 C ATOM 964 C ARG A 42 -2.843 8.554 2.136 1.00 0.00 C ATOM 965 O ARG A 42 -1.781 7.995 2.409 1.00 0.00 O ATOM 966 CB ARG A 42 -3.408 10.891 1.444 1.00 0.00 C ATOM 967 CG ARG A 42 -3.314 12.369 1.785 1.00 0.00 C ATOM 968 CD ARG A 42 -3.289 13.230 0.532 1.00 0.00 C ATOM 969 NE ARG A 42 -3.820 14.569 0.777 1.00 0.00 N ATOM 970 CZ ARG A 42 -5.116 14.840 0.908 1.00 0.00 C ATOM 971 NH1 ARG A 42 -6.017 13.869 0.820 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -5.514 16.086 1.130 1.00 0.00 N ATOM 0 H ARG A 42 -1.132 10.543 2.905 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.014 9.942 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.700 10.665 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.404 10.680 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.162 12.655 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.413 12.552 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.265 13.307 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.872 12.747 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.158 15.341 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.717 12.909 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.009 14.083 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.826 16.836 1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.508 16.294 1.230 1.00 0.00 H new ATOM 986 N LEU A 43 -3.793 7.979 1.406 1.00 0.00 N ATOM 987 CA LEU A 43 -3.632 6.631 0.878 1.00 0.00 C ATOM 988 C LEU A 43 -4.197 6.525 -0.535 1.00 0.00 C ATOM 989 O LEU A 43 -5.166 7.201 -0.880 1.00 0.00 O ATOM 990 CB LEU A 43 -4.316 5.614 1.794 1.00 0.00 C ATOM 991 CG LEU A 43 -3.536 4.325 2.024 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.166 4.648 2.572 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.295 3.398 2.964 1.00 0.00 C ATOM 0 H LEU A 43 -4.679 8.424 1.168 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.565 6.411 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.502 6.085 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.288 5.362 1.370 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.418 3.807 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.612 3.724 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.627 5.273 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.269 5.181 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.721 2.484 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.445 3.895 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.263 3.151 2.528 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.584 5.670 -1.348 1.00 0.00 N ATOM 1006 CA ILE A 44 -4.024 5.472 -2.724 1.00 0.00 C ATOM 1007 C ILE A 44 -3.765 4.040 -3.180 1.00 0.00 C ATOM 1008 O ILE A 44 -2.769 3.427 -2.796 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.312 6.442 -3.687 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.348 7.867 -3.132 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.954 6.387 -5.065 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.630 8.874 -4.004 1.00 0.00 C ATOM 0 H ILE A 44 -2.781 5.103 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.095 5.671 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.270 6.137 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.387 8.176 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.899 7.873 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.440 7.078 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.879 5.374 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.004 6.670 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.696 9.862 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.582 8.589 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.093 8.897 -4.990 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.669 3.512 -3.998 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.537 2.150 -4.504 1.00 0.00 C ATOM 1026 C PHE A 45 -5.440 1.926 -5.713 1.00 0.00 C ATOM 1027 O PHE A 45 -6.581 2.387 -5.742 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.877 1.142 -3.406 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.706 -0.290 -3.831 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.443 -0.828 -4.005 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.811 -1.095 -4.057 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.282 -2.144 -4.396 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.658 -2.411 -4.449 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.392 -2.936 -4.619 1.00 0.00 C ATOM 0 H PHE A 45 -5.500 4.005 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.503 2.004 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.244 1.333 -2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.908 1.297 -3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.573 -0.212 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.803 -0.689 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.291 -2.552 -4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.527 -3.028 -4.622 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.270 -3.964 -4.926 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.920 1.215 -6.708 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.678 0.927 -7.921 1.00 0.00 C ATOM 1046 C ALA A 46 -6.149 2.213 -8.594 1.00 0.00 C ATOM 1047 O ALA A 46 -7.270 2.288 -9.096 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.865 0.032 -7.599 1.00 0.00 C ATOM 0 H ALA A 46 -3.977 0.827 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.020 0.405 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.423 -0.176 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.509 -0.905 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.516 0.534 -6.883 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.284 3.222 -8.598 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.631 4.491 -9.211 1.00 0.00 C ATOM 1056 C GLY A 47 -6.846 5.132 -8.569 1.00 0.00 C ATOM 1057 O GLY A 47 -7.551 5.916 -9.205 1.00 0.00 O ATOM 0 H GLY A 47 -4.351 3.184 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.783 5.171 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.823 4.338 -10.273 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.091 4.798 -7.306 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.229 5.346 -6.577 1.00 0.00 C ATOM 1063 C LYS A 48 -7.771 6.039 -5.298 1.00 0.00 C ATOM 1064 O LYS A 48 -6.866 5.562 -4.611 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.229 4.237 -6.242 1.00 0.00 C ATOM 1066 CG LYS A 48 -10.011 3.739 -7.446 1.00 0.00 C ATOM 1067 CD LYS A 48 -11.105 2.766 -7.037 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.682 1.324 -7.265 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.845 0.445 -7.571 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.517 4.151 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.717 6.084 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.694 3.399 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.929 4.605 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.454 4.586 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.332 3.251 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.349 2.913 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.011 2.975 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.968 1.281 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.169 0.952 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.514 -0.530 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.515 0.466 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.320 0.784 -8.432 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.399 7.167 -4.985 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.055 7.928 -3.790 1.00 0.00 C ATOM 1085 C GLN A 49 -8.732 7.342 -2.555 1.00 0.00 C ATOM 1086 O GLN A 49 -9.955 7.390 -2.424 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.459 9.394 -3.960 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.477 10.204 -4.760 1.00 0.00 C ATOM 1089 CD GLN A 49 -8.127 10.964 -5.902 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.870 11.920 -5.683 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -7.851 10.538 -7.129 1.00 0.00 N ATOM 0 H GLN A 49 -9.149 7.575 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.975 7.869 -3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.434 9.439 -4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.572 9.847 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.974 10.911 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.710 9.542 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.229 9.741 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.261 11.008 -7.936 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.927 6.793 -1.652 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.446 6.200 -0.425 1.00 0.00 C ATOM 1102 C LEU A 50 -8.776 7.282 0.600 1.00 0.00 C ATOM 1103 O LEU A 50 -8.096 7.418 1.618 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.428 5.215 0.159 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.671 3.746 -0.188 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.572 3.523 -1.688 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.690 2.853 0.552 1.00 0.00 C ATOM 0 H LEU A 50 -6.912 6.746 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.363 5.661 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.434 5.495 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.426 5.320 1.244 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.680 3.483 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.748 2.471 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.319 4.132 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.577 3.806 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.879 1.811 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.671 3.119 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.815 2.987 1.626 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.823 8.052 0.323 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.244 9.125 1.219 1.00 0.00 C ATOM 1121 C GLU A 51 -10.628 8.576 2.589 1.00 0.00 C ATOM 1122 O GLU A 51 -10.907 7.386 2.737 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.424 9.888 0.614 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.236 10.235 -0.853 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.212 11.293 -1.331 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -11.966 12.489 -1.069 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -13.221 10.926 -1.968 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.396 7.954 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.403 9.807 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.328 9.289 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.580 10.807 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.217 10.588 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.359 9.334 -1.454 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.641 9.452 3.589 1.00 0.00 N ATOM 1135 CA ASP A 52 -10.992 9.058 4.948 1.00 0.00 C ATOM 1136 C ASP A 52 -12.479 8.736 5.055 1.00 0.00 C ATOM 1137 O ASP A 52 -13.229 9.432 5.741 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.623 10.169 5.934 1.00 0.00 C ATOM 1139 CG ASP A 52 -11.156 11.523 5.504 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -10.480 12.199 4.700 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -12.249 11.906 5.970 1.00 0.00 O1- ATOM 0 H ASP A 52 -10.412 10.440 3.483 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.428 8.159 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.018 9.922 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.538 10.222 6.029 1.00 0.00 H new ATOM 1146 N GLY A 53 -12.899 7.676 4.372 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.295 7.280 4.402 1.00 0.00 C ATOM 1148 C GLY A 53 -14.630 6.257 3.336 1.00 0.00 C ATOM 1149 O GLY A 53 -15.686 6.330 2.706 1.00 0.00 O ATOM 0 H GLY A 53 -12.298 7.084 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.532 6.869 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.922 8.161 4.266 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.730 5.301 3.131 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.935 4.258 2.132 1.00 0.00 C ATOM 1155 C ARG A 54 -13.446 2.909 2.648 1.00 0.00 C ATOM 1156 O ARG A 54 -12.423 2.827 3.328 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.208 4.616 0.836 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.865 5.748 0.062 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.020 5.245 -0.788 1.00 0.00 C ATOM 1160 NE ARG A 54 -16.068 6.251 -0.937 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.000 7.274 -1.787 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -14.936 7.428 -2.565 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -16.998 8.143 -1.859 1.00 0.00 N ATOM 0 H ARG A 54 -12.851 5.227 3.643 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.004 4.184 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.181 4.896 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.160 3.732 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.227 6.504 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.125 6.231 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.649 4.960 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.441 4.348 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.902 6.165 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.166 6.761 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.888 8.213 -3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.818 8.028 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.946 8.927 -2.510 1.00 0.00 H new ATOM 1177 N THR A 55 -14.185 1.855 2.321 1.00 0.00 N ATOM 1178 CA THR A 55 -13.827 0.508 2.754 1.00 0.00 C ATOM 1179 C THR A 55 -12.663 -0.037 1.934 1.00 0.00 C ATOM 1180 O THR A 55 -12.228 0.582 0.962 1.00 0.00 O ATOM 1181 CB THR A 55 -15.033 -0.425 2.632 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.818 -0.086 1.503 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.936 -0.393 3.846 1.00 0.00 C ATOM 0 H THR A 55 -15.034 1.906 1.759 1.00 0.00 H new ATOM 0 HA THR A 55 -13.518 0.559 3.798 1.00 0.00 H new ATOM 0 HB THR A 55 -14.616 -1.427 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.583 -0.695 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.772 -1.076 3.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.372 -0.698 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.316 0.618 3.990 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.161 -1.201 2.334 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.045 -1.833 1.640 1.00 0.00 C ATOM 1193 C LEU A 56 -11.538 -2.757 0.531 1.00 0.00 C ATOM 1194 O LEU A 56 -10.945 -2.822 -0.546 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.184 -2.613 2.624 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.751 -1.843 3.874 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.362 -2.256 4.282 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.749 -0.353 3.630 1.00 0.00 C ATOM 0 H LEU A 56 -12.510 -1.726 3.136 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.444 -1.046 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.734 -3.500 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.291 -2.959 2.104 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.466 -2.077 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.064 -1.702 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.349 -3.324 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.666 -2.041 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.437 0.164 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.056 -0.118 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.752 -0.028 3.354 1.00 0.00 H new ATOM 1210 N SER A 57 -12.625 -3.472 0.803 1.00 0.00 N ATOM 1211 CA SER A 57 -13.198 -4.393 -0.172 1.00 0.00 C ATOM 1212 C SER A 57 -13.576 -3.663 -1.457 1.00 0.00 C ATOM 1213 O SER A 57 -13.549 -4.242 -2.542 1.00 0.00 O ATOM 1214 CB SER A 57 -14.429 -5.087 0.415 1.00 0.00 C ATOM 1215 OG SER A 57 -15.072 -5.895 -0.557 1.00 0.00 O ATOM 0 H SER A 57 -13.127 -3.431 1.690 1.00 0.00 H new ATOM 0 HA SER A 57 -12.444 -5.143 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.133 -5.702 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.127 -4.339 0.790 1.00 0.00 H new ATOM 0 HG SER A 57 -15.854 -6.328 -0.156 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.928 -2.388 -1.326 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.311 -1.579 -2.477 1.00 0.00 C ATOM 1223 C ASP A 58 -13.102 -1.275 -3.356 1.00 0.00 C ATOM 1224 O ASP A 58 -13.227 -1.127 -4.572 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.960 -0.274 -2.015 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.724 0.418 -3.128 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.749 -0.135 -3.577 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -15.295 1.513 -3.551 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.956 -1.893 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.031 -2.148 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.638 -0.482 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.190 0.397 -1.635 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.931 -1.183 -2.734 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.699 -0.897 -3.461 1.00 0.00 C ATOM 1235 C TYR A 59 -9.963 -2.182 -3.836 1.00 0.00 C ATOM 1236 O TYR A 59 -8.801 -2.142 -4.243 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.787 0.000 -2.623 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.297 1.415 -2.474 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.673 2.159 -3.586 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.403 2.008 -1.222 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -11.141 3.452 -3.454 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.870 3.301 -1.081 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.237 4.019 -2.200 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.702 5.307 -2.064 1.00 0.00 O ATOM 0 H TYR A 59 -11.809 -1.302 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.968 -0.379 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.669 -0.440 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.798 0.026 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.598 1.719 -4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.115 1.449 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.430 4.016 -4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.947 3.747 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.965 5.937 -2.204 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.641 -3.320 -3.701 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.043 -4.610 -4.029 1.00 0.00 C ATOM 1256 C ASN A 60 -8.730 -4.816 -3.277 1.00 0.00 C ATOM 1257 O ASN A 60 -7.756 -5.323 -3.834 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.802 -4.714 -5.537 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.074 -6.107 -6.071 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -9.236 -6.697 -6.752 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.251 -6.639 -5.764 1.00 0.00 N ATOM 0 H ASN A 60 -11.603 -3.374 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.739 -5.391 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.441 -3.998 -6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.771 -4.438 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.490 -7.573 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.916 -6.113 -5.196 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.712 -4.419 -2.009 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.519 -4.559 -1.182 1.00 0.00 C ATOM 1270 C ILE A 61 -7.489 -5.916 -0.486 1.00 0.00 C ATOM 1271 O ILE A 61 -8.449 -6.306 0.179 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.438 -3.449 -0.117 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.696 -2.081 -0.753 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.080 -3.472 0.570 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.640 -0.934 0.234 1.00 0.00 C ATOM 0 H ILE A 61 -9.509 -3.998 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.661 -4.475 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.207 -3.630 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.960 -1.910 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.676 -2.091 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.038 -2.682 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.933 -4.438 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.295 -3.312 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.832 0.004 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.395 -1.081 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.653 -0.898 0.694 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.379 -6.631 -0.642 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.221 -7.944 -0.028 1.00 0.00 C ATOM 1289 C GLN A 62 -5.156 -7.907 1.063 1.00 0.00 C ATOM 1290 O GLN A 62 -4.694 -6.837 1.457 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.849 -8.983 -1.087 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.734 -8.938 -2.322 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.761 -10.052 -2.347 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.468 -11.190 -1.981 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.975 -9.730 -2.778 1.00 0.00 N ATOM 0 H GLN A 62 -5.575 -6.322 -1.189 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.171 -8.224 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.813 -8.828 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.908 -9.977 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.246 -7.977 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.110 -9.004 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.175 -8.774 -3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.708 -10.439 -2.815 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.770 -9.083 1.548 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.758 -9.182 2.592 1.00 0.00 C ATOM 1306 C LYS A 63 -2.366 -8.906 2.031 1.00 0.00 C ATOM 1307 O LYS A 63 -2.048 -9.305 0.910 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.796 -10.568 3.243 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.340 -11.688 2.323 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.200 -12.928 2.482 1.00 0.00 C ATOM 1311 CE LYS A 63 -3.612 -13.889 3.503 1.00 0.00 C ATOM 1312 NZ LYS A 63 -2.832 -14.979 2.856 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.143 -9.979 1.235 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.980 -8.429 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.164 -10.560 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.813 -10.775 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.379 -11.348 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.301 -11.936 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.204 -12.638 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.295 -13.432 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.967 -13.340 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.416 -14.322 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.448 -15.612 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.453 -15.520 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.049 -14.568 2.308 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.543 -8.218 2.815 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.186 -7.885 2.396 1.00 0.00 C ATOM 1328 C GLU A 64 -0.197 -7.074 1.103 1.00 0.00 C ATOM 1329 O GLU A 64 0.758 -7.112 0.328 1.00 0.00 O ATOM 1330 CB GLU A 64 0.642 -9.157 2.209 1.00 0.00 C ATOM 1331 CG GLU A 64 1.044 -9.820 3.516 1.00 0.00 C ATOM 1332 CD GLU A 64 1.935 -11.029 3.306 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.985 -10.884 2.645 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.583 -12.119 3.803 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.792 -7.880 3.745 1.00 0.00 H new ATOM 0 HA GLU A 64 0.269 -7.278 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.071 -9.868 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.541 -8.915 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.563 -9.095 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.147 -10.123 4.056 1.00 0.00 H new ATOM 1341 N SER A 65 -1.283 -6.341 0.878 1.00 0.00 N ATOM 1342 CA SER A 65 -1.415 -5.521 -0.320 1.00 0.00 C ATOM 1343 C SER A 65 -0.652 -4.210 -0.165 1.00 0.00 C ATOM 1344 O SER A 65 -0.735 -3.552 0.872 1.00 0.00 O ATOM 1345 CB SER A 65 -2.891 -5.234 -0.607 1.00 0.00 C ATOM 1346 OG SER A 65 -3.572 -6.413 -1.000 1.00 0.00 O ATOM 0 H SER A 65 -2.083 -6.298 1.509 1.00 0.00 H new ATOM 0 HA SER A 65 -0.990 -6.073 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.363 -4.817 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.973 -4.484 -1.393 1.00 0.00 H new ATOM 0 HG SER A 65 -3.805 -6.355 -1.950 1.00 0.00 H new ATOM 1352 N THR A 66 0.092 -3.838 -1.201 1.00 0.00 N ATOM 1353 CA THR A 66 0.872 -2.607 -1.175 1.00 0.00 C ATOM 1354 C THR A 66 -0.030 -1.387 -1.344 1.00 0.00 C ATOM 1355 O THR A 66 -0.494 -1.094 -2.445 1.00 0.00 O ATOM 1356 CB THR A 66 1.939 -2.627 -2.273 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.988 -3.893 -2.907 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.328 -2.321 -1.757 1.00 0.00 C ATOM 0 H THR A 66 0.171 -4.370 -2.067 1.00 0.00 H new ATOM 0 HA THR A 66 1.364 -2.540 -0.205 1.00 0.00 H new ATOM 0 HB THR A 66 1.645 -1.847 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.675 -3.883 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.038 -2.351 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.338 -1.329 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.610 -3.063 -1.010 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.271 -0.681 -0.244 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.115 0.509 -0.272 1.00 0.00 C ATOM 1368 C LEU A 67 -0.265 1.773 -0.363 1.00 0.00 C ATOM 1369 O LEU A 67 0.563 2.038 0.508 1.00 0.00 O ATOM 1370 CB LEU A 67 -2.003 0.564 0.975 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.302 -0.237 0.891 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.194 0.065 2.086 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -4.037 0.056 -0.410 1.00 0.00 C ATOM 0 H LEU A 67 0.105 -0.911 0.676 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.750 0.453 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.427 0.202 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.251 1.606 1.178 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.048 -1.297 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.114 -0.514 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.673 -0.202 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.435 1.128 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.958 -0.526 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.276 1.118 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.403 -0.214 -1.255 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.475 2.547 -1.422 1.00 0.00 N ATOM 1386 CA HIS A 68 0.273 3.782 -1.626 1.00 0.00 C ATOM 1387 C HIS A 68 -0.067 4.809 -0.552 1.00 0.00 C ATOM 1388 O HIS A 68 -1.231 4.987 -0.195 1.00 0.00 O ATOM 1389 CB HIS A 68 -0.023 4.360 -3.012 1.00 0.00 C ATOM 1390 CG HIS A 68 0.021 3.340 -4.108 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.619 2.106 -3.964 1.00 0.00 N ATOM 1392 CD2 HIS A 68 -0.464 3.376 -5.372 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.500 1.427 -5.091 1.00 0.00 C ATOM 1394 NE2 HIS A 68 -0.153 2.176 -5.961 1.00 0.00 N ATOM 0 H HIS A 68 -1.157 2.341 -2.152 1.00 0.00 H new ATOM 0 HA HIS A 68 1.335 3.548 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.008 4.826 -3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.699 5.147 -3.230 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.081 1.770 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.996 4.196 -5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.873 0.429 -5.270 1.00 0.00 H new ATOM 1403 N LEU A 69 0.958 5.483 -0.040 1.00 0.00 N ATOM 1404 CA LEU A 69 0.769 6.494 0.995 1.00 0.00 C ATOM 1405 C LEU A 69 1.295 7.849 0.534 1.00 0.00 C ATOM 1406 O LEU A 69 2.215 7.925 -0.282 1.00 0.00 O ATOM 1407 CB LEU A 69 1.483 6.077 2.283 1.00 0.00 C ATOM 1408 CG LEU A 69 0.942 6.717 3.560 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.099 5.773 4.744 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.659 8.023 3.823 1.00 0.00 C ATOM 0 H LEU A 69 1.928 5.348 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.300 6.581 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.417 4.994 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.540 6.325 2.191 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.121 6.918 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.707 6.249 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.548 4.853 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.154 5.541 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.269 8.475 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.726 7.835 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.499 8.701 2.985 1.00 0.00 H new ATOM 1422 N VAL A 70 0.709 8.916 1.065 1.00 0.00 N ATOM 1423 CA VAL A 70 1.123 10.269 0.715 1.00 0.00 C ATOM 1424 C VAL A 70 1.481 11.068 1.964 1.00 0.00 C ATOM 1425 O VAL A 70 0.610 11.650 2.610 1.00 0.00 O ATOM 1426 CB VAL A 70 0.019 11.014 -0.059 1.00 0.00 C ATOM 1427 CG1 VAL A 70 0.547 12.329 -0.611 1.00 0.00 C ATOM 1428 CG2 VAL A 70 -0.534 10.142 -1.176 1.00 0.00 C ATOM 0 H VAL A 70 -0.055 8.870 1.740 1.00 0.00 H new ATOM 0 HA VAL A 70 2.002 10.178 0.077 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.794 11.237 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.247 12.841 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.888 12.958 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.380 12.132 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.313 10.686 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.268 9.884 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.955 9.230 -0.752 1.00 0.00 H new ATOM 1438 N LEU A 71 2.766 11.087 2.299 1.00 0.00 N ATOM 1439 CA LEU A 71 3.240 11.811 3.473 1.00 0.00 C ATOM 1440 C LEU A 71 3.426 13.292 3.160 1.00 0.00 C ATOM 1441 O LEU A 71 4.367 13.676 2.464 1.00 0.00 O ATOM 1442 CB LEU A 71 4.555 11.206 3.973 1.00 0.00 C ATOM 1443 CG LEU A 71 4.536 10.724 5.426 1.00 0.00 C ATOM 1444 CD1 LEU A 71 4.069 11.836 6.351 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.645 9.499 5.569 1.00 0.00 C ATOM 0 H LEU A 71 3.499 10.609 1.774 1.00 0.00 H new ATOM 0 HA LEU A 71 2.488 11.720 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.818 10.365 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.344 11.950 3.863 1.00 0.00 H new ATOM 0 HG LEU A 71 5.551 10.446 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.062 11.475 7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.747 12.686 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.063 12.146 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.643 9.170 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.629 9.751 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.024 8.697 4.935 1.00 0.00 H new ATOM 1457 N ARG A 72 2.525 14.121 3.678 1.00 0.00 N ATOM 1458 CA ARG A 72 2.591 15.559 3.454 1.00 0.00 C ATOM 1459 C ARG A 72 3.795 16.167 4.166 1.00 0.00 C ATOM 1460 O ARG A 72 4.110 15.801 5.298 1.00 0.00 O ATOM 1461 CB ARG A 72 1.305 16.232 3.940 1.00 0.00 C ATOM 1462 CG ARG A 72 0.985 17.528 3.215 1.00 0.00 C ATOM 1463 CD ARG A 72 0.239 18.500 4.114 1.00 0.00 C ATOM 1464 NE ARG A 72 1.132 19.494 4.705 1.00 0.00 N ATOM 1465 CZ ARG A 72 0.709 20.591 5.331 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -0.590 20.838 5.449 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 1.589 21.443 5.840 1.00 0.00 N ATOM 0 H ARG A 72 1.740 13.820 4.256 1.00 0.00 H new ATOM 0 HA ARG A 72 2.701 15.729 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.473 15.540 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.392 16.435 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.909 17.989 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.384 17.313 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.536 19.006 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.264 17.947 4.907 1.00 0.00 H new ATOM 0 HE ARG A 72 2.138 19.339 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.271 20.186 5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.907 21.680 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.588 21.258 5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.267 22.283 6.320 1.00 0.00 H new ATOM 1481 N LEU A 73 4.467 17.096 3.495 1.00 0.00 N ATOM 1482 CA LEU A 73 5.638 17.755 4.062 1.00 0.00 C ATOM 1483 C LEU A 73 5.224 18.896 4.986 1.00 0.00 C ATOM 1484 O LEU A 73 4.116 19.420 4.884 1.00 0.00 O ATOM 1485 CB LEU A 73 6.540 18.286 2.948 1.00 0.00 C ATOM 1486 CG LEU A 73 8.018 18.419 3.321 1.00 0.00 C ATOM 1487 CD1 LEU A 73 8.594 17.067 3.709 1.00 0.00 C ATOM 1488 CD2 LEU A 73 8.805 19.025 2.168 1.00 0.00 C ATOM 0 H LEU A 73 4.220 17.410 2.556 1.00 0.00 H new ATOM 0 HA LEU A 73 6.191 17.020 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.456 17.623 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.170 19.263 2.636 1.00 0.00 H new ATOM 0 HG LEU A 73 8.098 19.085 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.646 17.181 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.048 16.671 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.502 16.378 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.854 19.113 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.717 18.384 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.408 20.013 1.936 1.00 0.00 H new ATOM 1500 N ARG A 74 6.125 19.277 5.888 1.00 0.00 N ATOM 1501 CA ARG A 74 5.853 20.356 6.829 1.00 0.00 C ATOM 1502 C ARG A 74 6.935 21.428 6.754 1.00 0.00 C ATOM 1503 O ARG A 74 6.639 22.623 6.736 1.00 0.00 O ATOM 1504 CB ARG A 74 5.763 19.806 8.254 1.00 0.00 C ATOM 1505 CG ARG A 74 4.811 20.585 9.148 1.00 0.00 C ATOM 1506 CD ARG A 74 5.548 21.629 9.971 1.00 0.00 C ATOM 1507 NE ARG A 74 6.042 21.081 11.233 1.00 0.00 N ATOM 1508 CZ ARG A 74 6.584 21.818 12.199 1.00 0.00 C ATOM 1509 NH1 ARG A 74 6.706 23.132 12.053 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 7.008 21.239 13.316 1.00 0.00 N ATOM 0 H ARG A 74 7.048 18.854 5.986 1.00 0.00 H new ATOM 0 HA ARG A 74 4.899 20.808 6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.441 18.766 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.757 19.814 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.052 21.072 8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.290 19.897 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.385 22.021 9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.881 22.467 10.176 1.00 0.00 H new ATOM 0 HE ARG A 74 5.967 20.075 11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.383 23.582 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.122 23.691 12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.918 20.230 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.424 21.803 14.057 1.00 0.00 H new ATOM 1524 N GLY A 75 8.190 20.993 6.710 1.00 0.00 N ATOM 1525 CA GLY A 75 9.296 21.929 6.636 1.00 0.00 C ATOM 1526 C GLY A 75 10.393 21.459 5.700 1.00 0.00 C ATOM 1527 O GLY A 75 10.153 21.242 4.513 1.00 0.00 O ATOM 0 H GLY A 75 8.461 20.010 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.926 22.898 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.711 22.075 7.633 1.00 0.00 H new ATOM 1531 N GLY A 76 11.599 21.303 6.236 1.00 0.00 N ATOM 1532 CA GLY A 76 12.718 20.857 5.426 1.00 0.00 C ATOM 1533 C GLY A 76 12.586 19.408 5.002 1.00 0.00 C ATOM 1534 O GLY A 76 13.614 18.798 4.641 1.00 0.00 O ATOM 1535 OXT GLY A 76 11.453 18.882 5.030 1.00 0.00 O ATOM 0 H GLY A 76 11.822 21.477 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.794 21.486 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.643 20.985 5.988 1.00 0.00 H new TER 1539 GLY A 76