USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 101 TYR OH : rot 180:sc=-0.00378 USER MOD Set 1.2: A 104 LYS NZ :NH3+ -172:sc= -2.18! (180deg=-2.42!) USER MOD Set 2.1: A 71 GLN : amide:sc= -6.84! C(o=-12!,f=-8.9!) USER MOD Set 2.2: A 93 GLN : amide:sc= -5.44! K(o=-12!,f=-7.3) USER MOD Set 3.1: A 41 GLN : amide:sc= -11.4! C(o=-17!,f=-2.2!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ -156:sc= -5.93! (180deg=-0.562) USER MOD Single : A 6 ASN : amide:sc= -8.32! C(o=-8.3!,f=-7.3!) USER MOD Single : A 9 THR OG1 : rot 68:sc= 0.419 USER MOD Single : A 11 ASN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 13 ASN : amide:sc= -4.11 K(o=-4.1,f=-6.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00919) USER MOD Single : A 22 ASN : amide:sc= -8.08! C(o=-8.1!,f=-5.2!) USER MOD Single : A 25 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 57:sc= 0.667 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.235) USER MOD Single : A 33 MET CE :methyl 178:sc= 0 (180deg=-0.00296) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD Single : A 52 SER OG : rot -91:sc= 0.021 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.013 (180deg=-2.37!) USER MOD Single : A 63 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-5.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0295 (180deg=-0.299) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.459 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.1!) USER MOD Single : A 103 GLN : amide:sc= -10.3! C(o=-10!,f=-4.8!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 12.777 4.296 11.018 1.00 0.00 N ATOM 14 CA ASP A 2 11.622 3.381 11.245 1.00 0.00 C ATOM 15 C ASP A 2 10.579 3.613 10.160 1.00 0.00 C ATOM 16 O ASP A 2 9.812 2.731 9.823 1.00 0.00 O ATOM 17 CB ASP A 2 10.992 3.694 12.605 1.00 0.00 C ATOM 18 CG ASP A 2 11.781 2.994 13.718 1.00 0.00 C ATOM 19 OD1 ASP A 2 12.963 2.764 13.525 1.00 0.00 O ATOM 20 OD2 ASP A 2 11.187 2.700 14.743 1.00 0.00 O ATOM 0 HA ASP A 2 11.965 2.347 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.986 4.771 12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.954 3.363 12.620 1.00 0.00 H new ATOM 25 N LEU A 3 10.549 4.787 9.595 1.00 0.00 N ATOM 26 CA LEU A 3 9.563 5.062 8.519 1.00 0.00 C ATOM 27 C LEU A 3 10.209 4.657 7.204 1.00 0.00 C ATOM 28 O LEU A 3 9.560 4.170 6.305 1.00 0.00 O ATOM 29 CB LEU A 3 9.136 6.550 8.520 1.00 0.00 C ATOM 30 CG LEU A 3 10.183 7.458 7.829 1.00 0.00 C ATOM 31 CD1 LEU A 3 9.857 7.619 6.326 1.00 0.00 C ATOM 32 CD2 LEU A 3 10.185 8.848 8.492 1.00 0.00 C ATOM 0 H LEU A 3 11.164 5.565 9.832 1.00 0.00 H new ATOM 0 HA LEU A 3 8.649 4.489 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.177 6.652 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.989 6.884 9.547 1.00 0.00 H new ATOM 0 HG LEU A 3 11.163 6.993 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.604 8.260 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.866 6.641 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.871 8.069 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.923 9.483 8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.197 9.299 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.436 8.747 9.548 1.00 0.00 H new ATOM 44 N GLU A 4 11.505 4.798 7.109 1.00 0.00 N ATOM 45 CA GLU A 4 12.200 4.360 5.879 1.00 0.00 C ATOM 46 C GLU A 4 12.086 2.856 5.863 1.00 0.00 C ATOM 47 O GLU A 4 12.134 2.207 4.835 1.00 0.00 O ATOM 48 CB GLU A 4 13.678 4.741 5.935 1.00 0.00 C ATOM 49 CG GLU A 4 13.824 6.255 6.093 1.00 0.00 C ATOM 50 CD GLU A 4 13.481 6.944 4.770 1.00 0.00 C ATOM 51 OE1 GLU A 4 13.763 6.366 3.733 1.00 0.00 O ATOM 52 OE2 GLU A 4 12.946 8.039 4.816 1.00 0.00 O ATOM 0 H GLU A 4 12.105 5.197 7.831 1.00 0.00 H new ATOM 0 HA GLU A 4 11.765 4.826 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.162 4.232 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.181 4.412 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.165 6.614 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.843 6.503 6.391 1.00 0.00 H new ATOM 59 N ASP A 5 11.930 2.302 7.030 1.00 0.00 N ATOM 60 CA ASP A 5 11.806 0.836 7.134 1.00 0.00 C ATOM 61 C ASP A 5 10.424 0.441 6.610 1.00 0.00 C ATOM 62 O ASP A 5 10.253 -0.577 5.969 1.00 0.00 O ATOM 63 CB ASP A 5 11.970 0.440 8.606 1.00 0.00 C ATOM 64 CG ASP A 5 11.405 -0.962 8.853 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.442 -1.764 7.934 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.948 -1.208 9.957 1.00 0.00 O ATOM 0 H ASP A 5 11.884 2.807 7.915 1.00 0.00 H new ATOM 0 HA ASP A 5 12.569 0.324 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.025 0.466 8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.457 1.162 9.242 1.00 0.00 H new ATOM 71 N ASN A 6 9.437 1.256 6.873 1.00 0.00 N ATOM 72 CA ASN A 6 8.066 0.949 6.388 1.00 0.00 C ATOM 73 C ASN A 6 8.125 0.792 4.858 1.00 0.00 C ATOM 74 O ASN A 6 7.507 -0.080 4.285 1.00 0.00 O ATOM 75 CB ASN A 6 7.117 2.100 6.816 1.00 0.00 C ATOM 76 CG ASN A 6 6.166 2.499 5.680 1.00 0.00 C ATOM 77 OD1 ASN A 6 4.969 2.345 5.793 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.660 3.004 4.585 1.00 0.00 N ATOM 0 H ASN A 6 9.525 2.122 7.404 1.00 0.00 H new ATOM 0 HA ASN A 6 7.684 0.023 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.537 1.790 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.707 2.965 7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.039 3.271 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.668 3.133 4.492 1.00 0.00 H new ATOM 85 N TRP A 7 8.865 1.638 4.197 1.00 0.00 N ATOM 86 CA TRP A 7 8.962 1.537 2.713 1.00 0.00 C ATOM 87 C TRP A 7 9.480 0.148 2.346 1.00 0.00 C ATOM 88 O TRP A 7 8.939 -0.518 1.486 1.00 0.00 O ATOM 89 CB TRP A 7 9.925 2.615 2.181 1.00 0.00 C ATOM 90 CG TRP A 7 9.220 3.937 2.058 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.757 4.676 3.093 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.906 4.690 0.850 1.00 0.00 C ATOM 93 NE1 TRP A 7 8.177 5.831 2.600 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.243 5.885 1.223 1.00 0.00 C ATOM 95 CE3 TRP A 7 9.125 4.455 -0.519 1.00 0.00 C ATOM 96 CZ2 TRP A 7 7.817 6.813 0.272 1.00 0.00 C ATOM 97 CZ3 TRP A 7 8.697 5.387 -1.478 1.00 0.00 C ATOM 98 CH2 TRP A 7 8.044 6.562 -1.084 1.00 0.00 C ATOM 0 H TRP A 7 9.406 2.393 4.618 1.00 0.00 H new ATOM 0 HA TRP A 7 7.980 1.692 2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.778 2.712 2.853 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.317 2.313 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.829 4.407 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.753 6.553 3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.626 3.552 -0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.316 7.718 0.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.872 5.197 -2.527 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.716 7.273 -1.828 1.00 0.00 H new ATOM 109 N GLU A 8 10.512 -0.308 2.993 1.00 0.00 N ATOM 110 CA GLU A 8 11.030 -1.650 2.679 1.00 0.00 C ATOM 111 C GLU A 8 9.949 -2.680 3.015 1.00 0.00 C ATOM 112 O GLU A 8 9.875 -3.735 2.417 1.00 0.00 O ATOM 113 CB GLU A 8 12.271 -1.905 3.524 1.00 0.00 C ATOM 114 CG GLU A 8 12.872 -3.243 3.138 1.00 0.00 C ATOM 115 CD GLU A 8 14.266 -3.377 3.756 1.00 0.00 C ATOM 116 OE1 GLU A 8 15.172 -2.721 3.268 1.00 0.00 O ATOM 117 OE2 GLU A 8 14.403 -4.130 4.705 1.00 0.00 O ATOM 0 H GLU A 8 11.014 0.195 3.724 1.00 0.00 H new ATOM 0 HA GLU A 8 11.290 -1.726 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.999 -1.108 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.012 -1.901 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.231 -4.054 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.935 -3.325 2.053 1.00 0.00 H new ATOM 124 N THR A 9 9.109 -2.377 3.974 1.00 0.00 N ATOM 125 CA THR A 9 8.033 -3.338 4.349 1.00 0.00 C ATOM 126 C THR A 9 7.013 -3.439 3.215 1.00 0.00 C ATOM 127 O THR A 9 6.839 -4.489 2.630 1.00 0.00 O ATOM 128 CB THR A 9 7.347 -2.890 5.646 1.00 0.00 C ATOM 129 OG1 THR A 9 8.314 -2.788 6.681 1.00 0.00 O ATOM 130 CG2 THR A 9 6.280 -3.913 6.042 1.00 0.00 C ATOM 0 H THR A 9 9.124 -1.509 4.510 1.00 0.00 H new ATOM 0 HA THR A 9 8.476 -4.320 4.516 1.00 0.00 H new ATOM 0 HB THR A 9 6.876 -1.919 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.923 -2.045 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.794 -3.593 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.537 -3.990 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.748 -4.885 6.197 1.00 0.00 H new ATOM 138 N LEU A 10 6.334 -2.371 2.886 1.00 0.00 N ATOM 139 CA LEU A 10 5.344 -2.473 1.778 1.00 0.00 C ATOM 140 C LEU A 10 6.077 -2.961 0.526 1.00 0.00 C ATOM 141 O LEU A 10 5.523 -3.655 -0.302 1.00 0.00 O ATOM 142 CB LEU A 10 4.651 -1.121 1.520 1.00 0.00 C ATOM 143 CG LEU A 10 5.680 -0.001 1.218 1.00 0.00 C ATOM 144 CD1 LEU A 10 5.881 0.167 -0.296 1.00 0.00 C ATOM 145 CD2 LEU A 10 5.175 1.332 1.790 1.00 0.00 C ATOM 0 H LEU A 10 6.419 -1.454 3.325 1.00 0.00 H new ATOM 0 HA LEU A 10 4.561 -3.181 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.962 -1.219 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.056 -0.844 2.390 1.00 0.00 H new ATOM 0 HG LEU A 10 6.628 -0.281 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.607 0.958 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.247 -0.768 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.931 0.430 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.900 2.117 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.219 1.586 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.047 1.240 2.869 1.00 0.00 H new ATOM 157 N ASN A 11 7.330 -2.615 0.387 1.00 0.00 N ATOM 158 CA ASN A 11 8.098 -3.091 -0.803 1.00 0.00 C ATOM 159 C ASN A 11 8.346 -4.605 -0.687 1.00 0.00 C ATOM 160 O ASN A 11 7.903 -5.393 -1.506 1.00 0.00 O ATOM 161 CB ASN A 11 9.441 -2.361 -0.889 1.00 0.00 C ATOM 162 CG ASN A 11 10.074 -2.634 -2.258 1.00 0.00 C ATOM 163 OD1 ASN A 11 11.118 -3.249 -2.344 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.479 -2.200 -3.340 1.00 0.00 N ATOM 0 H ASN A 11 7.852 -2.029 1.039 1.00 0.00 H new ATOM 0 HA ASN A 11 7.519 -2.883 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.296 -1.290 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.105 -2.700 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.892 -2.378 -4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.602 -1.684 -3.268 1.00 0.00 H new ATOM 171 N ASP A 12 9.068 -5.010 0.327 1.00 0.00 N ATOM 172 CA ASP A 12 9.375 -6.461 0.514 1.00 0.00 C ATOM 173 C ASP A 12 8.070 -7.258 0.621 1.00 0.00 C ATOM 174 O ASP A 12 8.057 -8.476 0.536 1.00 0.00 O ATOM 175 CB ASP A 12 10.213 -6.637 1.788 1.00 0.00 C ATOM 176 CG ASP A 12 10.298 -8.122 2.160 1.00 0.00 C ATOM 177 OD1 ASP A 12 11.147 -8.801 1.609 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.512 -8.550 2.989 1.00 0.00 O ATOM 0 H ASP A 12 9.461 -4.393 1.038 1.00 0.00 H new ATOM 0 HA ASP A 12 9.939 -6.832 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.214 -6.235 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.767 -6.074 2.607 1.00 0.00 H new ATOM 183 N ASN A 13 6.969 -6.581 0.777 1.00 0.00 N ATOM 184 CA ASN A 13 5.669 -7.283 0.867 1.00 0.00 C ATOM 185 C ASN A 13 5.334 -7.793 -0.537 1.00 0.00 C ATOM 186 O ASN A 13 5.054 -8.952 -0.744 1.00 0.00 O ATOM 187 CB ASN A 13 4.590 -6.264 1.303 1.00 0.00 C ATOM 188 CG ASN A 13 4.122 -6.483 2.749 1.00 0.00 C ATOM 189 OD1 ASN A 13 4.005 -7.602 3.205 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.849 -5.430 3.492 1.00 0.00 N ATOM 0 H ASN A 13 6.917 -5.565 0.846 1.00 0.00 H new ATOM 0 HA ASN A 13 5.708 -8.105 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.987 -5.254 1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.734 -6.338 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.538 -5.553 4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.949 -4.492 3.104 1.00 0.00 H new ATOM 197 N LEU A 14 5.358 -6.907 -1.491 1.00 0.00 N ATOM 198 CA LEU A 14 5.025 -7.280 -2.891 1.00 0.00 C ATOM 199 C LEU A 14 5.929 -8.405 -3.377 1.00 0.00 C ATOM 200 O LEU A 14 5.568 -9.153 -4.264 1.00 0.00 O ATOM 201 CB LEU A 14 5.215 -6.051 -3.778 1.00 0.00 C ATOM 202 CG LEU A 14 4.243 -4.940 -3.329 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.814 -3.567 -3.686 1.00 0.00 C ATOM 204 CD2 LEU A 14 2.893 -5.119 -4.027 1.00 0.00 C ATOM 0 H LEU A 14 5.598 -5.925 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 14 3.993 -7.627 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.244 -5.697 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.032 -6.310 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 14 4.110 -5.007 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.120 -2.790 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.771 -3.429 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.958 -3.502 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.210 -4.332 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.031 -5.062 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.474 -6.091 -3.766 1.00 0.00 H new ATOM 216 N LYS A 15 7.094 -8.549 -2.816 1.00 0.00 N ATOM 217 CA LYS A 15 7.974 -9.646 -3.288 1.00 0.00 C ATOM 218 C LYS A 15 7.365 -10.986 -2.884 1.00 0.00 C ATOM 219 O LYS A 15 7.156 -11.846 -3.713 1.00 0.00 O ATOM 220 CB LYS A 15 9.373 -9.517 -2.671 1.00 0.00 C ATOM 221 CG LYS A 15 10.290 -10.683 -3.162 1.00 0.00 C ATOM 222 CD LYS A 15 10.799 -11.519 -1.976 1.00 0.00 C ATOM 223 CE LYS A 15 11.887 -10.743 -1.230 1.00 0.00 C ATOM 224 NZ LYS A 15 12.453 -11.598 -0.148 1.00 0.00 N ATOM 0 H LYS A 15 7.468 -7.967 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 15 8.063 -9.586 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.813 -8.558 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.302 -9.534 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.736 -11.321 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.137 -10.277 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.975 -11.750 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.196 -12.470 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.675 -10.444 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.471 -9.829 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.192 -11.071 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.698 -11.862 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.864 -12.458 -0.564 1.00 0.00 H new ATOM 238 N VAL A 16 7.084 -11.190 -1.626 1.00 0.00 N ATOM 239 CA VAL A 16 6.507 -12.511 -1.225 1.00 0.00 C ATOM 240 C VAL A 16 5.245 -12.813 -2.039 1.00 0.00 C ATOM 241 O VAL A 16 4.852 -13.949 -2.146 1.00 0.00 O ATOM 242 CB VAL A 16 6.165 -12.562 0.272 1.00 0.00 C ATOM 243 CG1 VAL A 16 7.452 -12.618 1.088 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.330 -11.346 0.685 1.00 0.00 C ATOM 0 H VAL A 16 7.224 -10.518 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 16 7.269 -13.264 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 16 5.574 -13.458 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.208 -12.654 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.017 -13.509 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.051 -11.731 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.101 -11.406 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.892 -10.434 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.401 -11.332 0.115 1.00 0.00 H new ATOM 254 N ILE A 17 4.598 -11.833 -2.613 1.00 0.00 N ATOM 255 CA ILE A 17 3.373 -12.151 -3.416 1.00 0.00 C ATOM 256 C ILE A 17 3.779 -12.852 -4.720 1.00 0.00 C ATOM 257 O ILE A 17 3.594 -14.044 -4.888 1.00 0.00 O ATOM 258 CB ILE A 17 2.601 -10.869 -3.738 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.516 -10.020 -2.479 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.188 -11.226 -4.204 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.665 -8.776 -2.743 1.00 0.00 C ATOM 0 H ILE A 17 4.854 -10.847 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 17 2.731 -12.811 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 17 3.112 -10.318 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.081 -10.602 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.516 -9.726 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.639 -10.313 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.246 -11.848 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.671 -11.772 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.610 -8.174 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.118 -8.188 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.661 -9.078 -3.040 1.00 0.00 H new ATOM 273 N GLU A 18 4.343 -12.124 -5.648 1.00 0.00 N ATOM 274 CA GLU A 18 4.768 -12.756 -6.935 1.00 0.00 C ATOM 275 C GLU A 18 5.543 -14.033 -6.622 1.00 0.00 C ATOM 276 O GLU A 18 5.569 -14.967 -7.398 1.00 0.00 O ATOM 277 CB GLU A 18 5.656 -11.771 -7.722 1.00 0.00 C ATOM 278 CG GLU A 18 5.281 -10.337 -7.340 1.00 0.00 C ATOM 279 CD GLU A 18 5.783 -9.362 -8.408 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.097 -9.199 -9.404 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.845 -8.796 -8.212 1.00 0.00 O ATOM 0 H GLU A 18 4.528 -11.124 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 18 3.896 -13.001 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.707 -11.955 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.524 -11.921 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.199 -10.251 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.715 -10.084 -6.373 1.00 0.00 H new ATOM 288 N LYS A 19 6.166 -14.073 -5.472 1.00 0.00 N ATOM 289 CA LYS A 19 6.942 -15.288 -5.069 1.00 0.00 C ATOM 290 C LYS A 19 6.123 -16.103 -4.053 1.00 0.00 C ATOM 291 O LYS A 19 6.553 -17.143 -3.597 1.00 0.00 O ATOM 292 CB LYS A 19 8.299 -14.861 -4.451 1.00 0.00 C ATOM 293 CG LYS A 19 9.428 -15.018 -5.481 1.00 0.00 C ATOM 294 CD LYS A 19 9.247 -14.003 -6.646 1.00 0.00 C ATOM 295 CE LYS A 19 10.417 -13.014 -6.674 1.00 0.00 C ATOM 296 NZ LYS A 19 11.642 -13.715 -7.153 1.00 0.00 N ATOM 0 H LYS A 19 6.171 -13.314 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 19 7.137 -15.906 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.244 -13.825 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.513 -15.469 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.393 -14.859 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.431 -16.035 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.188 -14.535 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.308 -13.463 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.184 -12.175 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.585 -12.603 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.397 -13.020 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.953 -14.400 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.431 -14.216 -8.040 1.00 0.00 H new ATOM 310 N ALA A 20 4.945 -15.652 -3.702 1.00 0.00 N ATOM 311 CA ALA A 20 4.126 -16.432 -2.728 1.00 0.00 C ATOM 312 C ALA A 20 3.923 -17.816 -3.322 1.00 0.00 C ATOM 313 O ALA A 20 4.139 -18.826 -2.687 1.00 0.00 O ATOM 314 CB ALA A 20 2.753 -15.764 -2.505 1.00 0.00 C ATOM 0 H ALA A 20 4.520 -14.789 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 20 4.634 -16.480 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.174 -16.351 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.898 -14.757 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.216 -15.712 -3.452 1.00 0.00 H new ATOM 320 N ASP A 21 3.520 -17.857 -4.553 1.00 0.00 N ATOM 321 CA ASP A 21 3.305 -19.165 -5.233 1.00 0.00 C ATOM 322 C ASP A 21 2.104 -19.895 -4.600 1.00 0.00 C ATOM 323 O ASP A 21 1.606 -20.858 -5.150 1.00 0.00 O ATOM 324 CB ASP A 21 4.596 -20.019 -5.119 1.00 0.00 C ATOM 325 CG ASP A 21 5.000 -20.569 -6.495 1.00 0.00 C ATOM 326 OD1 ASP A 21 4.319 -21.458 -6.979 1.00 0.00 O ATOM 327 OD2 ASP A 21 5.980 -20.089 -7.038 1.00 0.00 O ATOM 0 H ASP A 21 3.327 -17.036 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 21 3.084 -19.001 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.405 -19.413 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.434 -20.843 -4.425 1.00 0.00 H new ATOM 332 N ASN A 22 1.621 -19.440 -3.464 1.00 0.00 N ATOM 333 CA ASN A 22 0.435 -20.113 -2.831 1.00 0.00 C ATOM 334 C ASN A 22 -0.441 -19.067 -2.147 1.00 0.00 C ATOM 335 O ASN A 22 0.042 -18.111 -1.583 1.00 0.00 O ATOM 336 CB ASN A 22 0.868 -21.157 -1.790 1.00 0.00 C ATOM 337 CG ASN A 22 2.168 -21.789 -2.234 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.262 -22.988 -2.408 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.183 -21.016 -2.427 1.00 0.00 N ATOM 0 H ASN A 22 1.992 -18.640 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.121 -20.621 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.993 -20.686 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.097 -21.920 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.074 -21.410 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.094 -20.011 -2.278 1.00 0.00 H new ATOM 346 N ALA A 23 -1.724 -19.258 -2.196 1.00 0.00 N ATOM 347 CA ALA A 23 -2.666 -18.291 -1.564 1.00 0.00 C ATOM 348 C ALA A 23 -2.365 -18.119 -0.075 1.00 0.00 C ATOM 349 O ALA A 23 -2.690 -17.107 0.505 1.00 0.00 O ATOM 350 CB ALA A 23 -4.095 -18.805 -1.749 1.00 0.00 C ATOM 0 H ALA A 23 -2.170 -20.053 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.549 -17.319 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.795 -18.106 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.315 -18.894 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.195 -19.782 -1.275 1.00 0.00 H new ATOM 356 N ALA A 24 -1.762 -19.088 0.551 1.00 0.00 N ATOM 357 CA ALA A 24 -1.472 -18.957 2.008 1.00 0.00 C ATOM 358 C ALA A 24 -0.501 -17.795 2.246 1.00 0.00 C ATOM 359 O ALA A 24 -0.745 -16.930 3.064 1.00 0.00 O ATOM 360 CB ALA A 24 -0.844 -20.256 2.518 1.00 0.00 C ATOM 0 H ALA A 24 -1.458 -19.962 0.122 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.402 -18.761 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.631 -20.163 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.536 -21.082 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.083 -20.449 1.978 1.00 0.00 H new ATOM 366 N GLN A 25 0.597 -17.774 1.547 1.00 0.00 N ATOM 367 CA GLN A 25 1.592 -16.684 1.732 1.00 0.00 C ATOM 368 C GLN A 25 1.030 -15.350 1.224 1.00 0.00 C ATOM 369 O GLN A 25 1.528 -14.293 1.559 1.00 0.00 O ATOM 370 CB GLN A 25 2.863 -17.036 0.959 1.00 0.00 C ATOM 371 CG GLN A 25 3.154 -18.537 1.093 1.00 0.00 C ATOM 372 CD GLN A 25 4.626 -18.809 0.778 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.432 -18.981 1.671 1.00 0.00 O ATOM 374 NE2 GLN A 25 5.006 -18.850 -0.465 1.00 0.00 N ATOM 0 H GLN A 25 0.850 -18.473 0.848 1.00 0.00 H new ATOM 0 HA GLN A 25 1.817 -16.581 2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.746 -16.771 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.704 -16.458 1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.921 -18.873 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.517 -19.103 0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.326 -18.705 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.984 -19.027 -0.694 1.00 0.00 H new ATOM 383 N VAL A 26 0.001 -15.383 0.424 1.00 0.00 N ATOM 384 CA VAL A 26 -0.571 -14.097 -0.087 1.00 0.00 C ATOM 385 C VAL A 26 -1.288 -13.391 1.061 1.00 0.00 C ATOM 386 O VAL A 26 -1.050 -12.228 1.319 1.00 0.00 O ATOM 387 CB VAL A 26 -1.566 -14.342 -1.235 1.00 0.00 C ATOM 388 CG1 VAL A 26 -2.088 -12.999 -1.782 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.867 -15.087 -2.377 1.00 0.00 C ATOM 0 H VAL A 26 -0.467 -16.231 0.103 1.00 0.00 H new ATOM 0 HA VAL A 26 0.242 -13.482 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.397 -14.934 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.791 -13.185 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.591 -12.452 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.251 -12.408 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.576 -15.258 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.033 -14.489 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.495 -16.044 -2.013 1.00 0.00 H new ATOM 399 N LYS A 27 -2.155 -14.070 1.776 1.00 0.00 N ATOM 400 CA LYS A 27 -2.836 -13.381 2.905 1.00 0.00 C ATOM 401 C LYS A 27 -1.751 -12.809 3.792 1.00 0.00 C ATOM 402 O LYS A 27 -1.717 -11.641 4.116 1.00 0.00 O ATOM 403 CB LYS A 27 -3.620 -14.375 3.766 1.00 0.00 C ATOM 404 CG LYS A 27 -4.770 -15.056 2.976 1.00 0.00 C ATOM 405 CD LYS A 27 -4.541 -16.577 2.924 1.00 0.00 C ATOM 406 CE LYS A 27 -4.733 -17.197 4.315 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.046 -18.645 4.169 1.00 0.00 N ATOM 0 H LYS A 27 -2.412 -15.046 1.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.515 -12.628 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.941 -15.138 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.033 -13.857 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.727 -14.840 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.817 -14.652 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.236 -17.031 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.535 -16.787 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.830 -17.067 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.540 -16.690 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.177 -19.068 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.919 -18.757 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.262 -19.122 3.681 1.00 0.00 H new ATOM 421 N ASP A 28 -0.856 -13.665 4.174 1.00 0.00 N ATOM 422 CA ASP A 28 0.264 -13.258 5.045 1.00 0.00 C ATOM 423 C ASP A 28 0.968 -12.052 4.436 1.00 0.00 C ATOM 424 O ASP A 28 1.395 -11.148 5.128 1.00 0.00 O ATOM 425 CB ASP A 28 1.253 -14.420 5.129 1.00 0.00 C ATOM 426 CG ASP A 28 0.525 -15.677 5.608 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.630 -15.560 5.984 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.134 -16.733 5.591 1.00 0.00 O ATOM 0 H ASP A 28 -0.856 -14.651 3.912 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.108 -12.999 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.705 -14.598 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.063 -14.173 5.815 1.00 0.00 H new ATOM 433 N ALA A 29 1.107 -12.041 3.143 1.00 0.00 N ATOM 434 CA ALA A 29 1.800 -10.909 2.482 1.00 0.00 C ATOM 435 C ALA A 29 0.952 -9.640 2.569 1.00 0.00 C ATOM 436 O ALA A 29 1.313 -8.681 3.222 1.00 0.00 O ATOM 437 CB ALA A 29 2.035 -11.238 1.013 1.00 0.00 C ATOM 0 H ALA A 29 0.769 -12.770 2.515 1.00 0.00 H new ATOM 0 HA ALA A 29 2.751 -10.745 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.544 -10.404 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.651 -12.134 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.078 -11.412 0.521 1.00 0.00 H new ATOM 443 N LEU A 30 -0.164 -9.619 1.891 1.00 0.00 N ATOM 444 CA LEU A 30 -1.024 -8.403 1.909 1.00 0.00 C ATOM 445 C LEU A 30 -1.449 -8.085 3.348 1.00 0.00 C ATOM 446 O LEU A 30 -1.722 -6.950 3.685 1.00 0.00 O ATOM 447 CB LEU A 30 -2.264 -8.637 1.038 1.00 0.00 C ATOM 448 CG LEU A 30 -1.903 -8.495 -0.450 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.030 -9.104 -1.297 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.698 -6.999 -0.827 1.00 0.00 C ATOM 0 H LEU A 30 -0.516 -10.392 1.326 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.460 -7.559 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.668 -9.631 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.042 -7.921 1.301 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.969 -9.022 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.783 -9.008 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.145 -10.158 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.963 -8.578 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.443 -6.922 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.617 -6.446 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.890 -6.580 -0.228 1.00 0.00 H new ATOM 462 N THR A 31 -1.492 -9.070 4.205 1.00 0.00 N ATOM 463 CA THR A 31 -1.881 -8.803 5.620 1.00 0.00 C ATOM 464 C THR A 31 -0.861 -7.840 6.216 1.00 0.00 C ATOM 465 O THR A 31 -1.186 -6.948 6.974 1.00 0.00 O ATOM 466 CB THR A 31 -1.841 -10.111 6.414 1.00 0.00 C ATOM 467 OG1 THR A 31 -2.901 -10.956 5.989 1.00 0.00 O ATOM 468 CG2 THR A 31 -1.995 -9.824 7.910 1.00 0.00 C ATOM 0 H THR A 31 -1.276 -10.043 3.988 1.00 0.00 H new ATOM 0 HA THR A 31 -2.885 -8.381 5.661 1.00 0.00 H new ATOM 0 HB THR A 31 -0.883 -10.602 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.830 -11.109 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.965 -10.761 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.181 -9.179 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.948 -9.327 8.089 1.00 0.00 H new ATOM 476 N LYS A 32 0.374 -8.032 5.870 1.00 0.00 N ATOM 477 CA LYS A 32 1.449 -7.159 6.392 1.00 0.00 C ATOM 478 C LYS A 32 1.371 -5.799 5.686 1.00 0.00 C ATOM 479 O LYS A 32 1.679 -4.774 6.259 1.00 0.00 O ATOM 480 CB LYS A 32 2.788 -7.850 6.110 1.00 0.00 C ATOM 481 CG LYS A 32 3.126 -8.819 7.253 1.00 0.00 C ATOM 482 CD LYS A 32 4.404 -9.608 6.918 1.00 0.00 C ATOM 483 CE LYS A 32 4.415 -10.936 7.683 1.00 0.00 C ATOM 484 NZ LYS A 32 4.249 -10.675 9.140 1.00 0.00 N ATOM 0 H LYS A 32 0.688 -8.768 5.238 1.00 0.00 H new ATOM 0 HA LYS A 32 1.345 -6.993 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.736 -8.392 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.577 -7.105 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.265 -8.264 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.296 -9.507 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.455 -9.796 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.284 -9.020 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.612 -11.580 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.351 -11.464 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.555 -11.510 9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.827 -9.855 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.249 -10.478 9.346 1.00 0.00 H new ATOM 498 N MET A 33 0.931 -5.776 4.457 1.00 0.00 N ATOM 499 CA MET A 33 0.799 -4.472 3.742 1.00 0.00 C ATOM 500 C MET A 33 -0.289 -3.667 4.424 1.00 0.00 C ATOM 501 O MET A 33 -0.057 -2.625 5.004 1.00 0.00 O ATOM 502 CB MET A 33 0.353 -4.706 2.301 1.00 0.00 C ATOM 503 CG MET A 33 1.491 -5.304 1.480 1.00 0.00 C ATOM 504 SD MET A 33 1.142 -5.082 -0.281 1.00 0.00 S ATOM 505 CE MET A 33 1.917 -3.454 -0.453 1.00 0.00 C ATOM 0 H MET A 33 0.658 -6.598 3.919 1.00 0.00 H new ATOM 0 HA MET A 33 1.759 -3.956 3.758 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.506 -5.376 2.284 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.032 -3.764 1.856 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.434 -4.822 1.739 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.602 -6.364 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.851 -3.127 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.402 -2.737 0.186 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.965 -3.517 -0.158 1.00 0.00 H new ATOM 515 N ARG A 34 -1.490 -4.164 4.344 1.00 0.00 N ATOM 516 CA ARG A 34 -2.641 -3.461 4.968 1.00 0.00 C ATOM 517 C ARG A 34 -2.254 -3.069 6.391 1.00 0.00 C ATOM 518 O ARG A 34 -2.763 -2.120 6.951 1.00 0.00 O ATOM 519 CB ARG A 34 -3.863 -4.400 4.979 1.00 0.00 C ATOM 520 CG ARG A 34 -5.162 -3.587 5.081 1.00 0.00 C ATOM 521 CD ARG A 34 -6.364 -4.455 4.687 1.00 0.00 C ATOM 522 NE ARG A 34 -7.573 -3.584 4.558 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.638 -3.750 5.324 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.669 -4.672 6.254 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.680 -2.979 5.159 1.00 0.00 N ATOM 0 H ARG A 34 -1.725 -5.035 3.868 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.897 -2.564 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.874 -5.003 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.792 -5.090 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.289 -3.218 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.105 -2.715 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.166 -4.966 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.534 -5.226 5.439 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.576 -2.841 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.862 -5.278 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.501 -4.783 6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.669 -2.254 4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.504 -3.103 5.747 1.00 0.00 H new ATOM 539 N ALA A 35 -1.336 -3.790 6.969 1.00 0.00 N ATOM 540 CA ALA A 35 -0.891 -3.455 8.349 1.00 0.00 C ATOM 541 C ALA A 35 -0.014 -2.201 8.300 1.00 0.00 C ATOM 542 O ALA A 35 -0.326 -1.191 8.902 1.00 0.00 O ATOM 543 CB ALA A 35 -0.093 -4.622 8.939 1.00 0.00 C ATOM 0 H ALA A 35 -0.875 -4.596 6.546 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.762 -3.271 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.229 -4.369 9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.721 -5.513 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.781 -4.816 8.317 1.00 0.00 H new ATOM 549 N ALA A 36 1.082 -2.249 7.585 1.00 0.00 N ATOM 550 CA ALA A 36 1.964 -1.050 7.508 1.00 0.00 C ATOM 551 C ALA A 36 1.218 0.100 6.830 1.00 0.00 C ATOM 552 O ALA A 36 1.420 1.254 7.152 1.00 0.00 O ATOM 553 CB ALA A 36 3.220 -1.390 6.705 1.00 0.00 C ATOM 0 H ALA A 36 1.400 -3.061 7.056 1.00 0.00 H new ATOM 0 HA ALA A 36 2.248 -0.748 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.865 -0.513 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.756 -2.203 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.936 -1.697 5.698 1.00 0.00 H new ATOM 559 N ALA A 37 0.357 -0.198 5.896 1.00 0.00 N ATOM 560 CA ALA A 37 -0.391 0.893 5.213 1.00 0.00 C ATOM 561 C ALA A 37 -1.132 1.716 6.266 1.00 0.00 C ATOM 562 O ALA A 37 -1.195 2.928 6.193 1.00 0.00 O ATOM 563 CB ALA A 37 -1.399 0.292 4.231 1.00 0.00 C ATOM 0 H ALA A 37 0.141 -1.143 5.578 1.00 0.00 H new ATOM 0 HA ALA A 37 0.304 1.529 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.944 1.094 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.871 -0.304 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.101 -0.342 4.773 1.00 0.00 H new ATOM 569 N LEU A 38 -1.684 1.065 7.252 1.00 0.00 N ATOM 570 CA LEU A 38 -2.411 1.811 8.315 1.00 0.00 C ATOM 571 C LEU A 38 -1.409 2.670 9.091 1.00 0.00 C ATOM 572 O LEU A 38 -1.736 3.737 9.570 1.00 0.00 O ATOM 573 CB LEU A 38 -3.092 0.812 9.271 1.00 0.00 C ATOM 574 CG LEU A 38 -4.445 0.350 8.689 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.804 -1.034 9.243 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.552 1.342 9.077 1.00 0.00 C ATOM 0 H LEU A 38 -1.663 0.052 7.367 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.172 2.450 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.444 -0.050 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.247 1.278 10.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.359 0.303 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.760 -1.355 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.030 -1.749 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.878 -0.983 10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.503 1.007 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.629 1.395 10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.311 2.329 8.682 1.00 0.00 H new ATOM 588 N ASP A 39 -0.190 2.214 9.220 1.00 0.00 N ATOM 589 CA ASP A 39 0.825 3.013 9.970 1.00 0.00 C ATOM 590 C ASP A 39 1.493 4.024 9.032 1.00 0.00 C ATOM 591 O ASP A 39 1.819 5.125 9.426 1.00 0.00 O ATOM 592 CB ASP A 39 1.890 2.069 10.536 1.00 0.00 C ATOM 593 CG ASP A 39 2.876 2.866 11.392 1.00 0.00 C ATOM 594 OD1 ASP A 39 2.516 3.220 12.502 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.976 3.106 10.922 1.00 0.00 O ATOM 0 H ASP A 39 0.145 1.328 8.841 1.00 0.00 H new ATOM 0 HA ASP A 39 0.333 3.549 10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.419 1.290 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.418 1.570 9.723 1.00 0.00 H new ATOM 600 N ALA A 40 1.717 3.654 7.801 1.00 0.00 N ATOM 601 CA ALA A 40 2.384 4.592 6.850 1.00 0.00 C ATOM 602 C ALA A 40 1.556 5.871 6.690 1.00 0.00 C ATOM 603 O ALA A 40 2.064 6.904 6.304 1.00 0.00 O ATOM 604 CB ALA A 40 2.558 3.911 5.481 1.00 0.00 C ATOM 0 H ALA A 40 1.468 2.745 7.412 1.00 0.00 H new ATOM 0 HA ALA A 40 3.363 4.856 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.045 4.600 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.171 3.017 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.581 3.633 5.086 1.00 0.00 H new ATOM 610 N GLN A 41 0.289 5.817 6.977 1.00 0.00 N ATOM 611 CA GLN A 41 -0.550 7.038 6.831 1.00 0.00 C ATOM 612 C GLN A 41 0.147 8.217 7.516 1.00 0.00 C ATOM 613 O GLN A 41 0.557 9.167 6.880 1.00 0.00 O ATOM 614 CB GLN A 41 -1.909 6.789 7.495 1.00 0.00 C ATOM 615 CG GLN A 41 -2.871 7.945 7.178 1.00 0.00 C ATOM 616 CD GLN A 41 -2.410 9.238 7.863 1.00 0.00 C ATOM 617 OE1 GLN A 41 -2.181 10.236 7.208 1.00 0.00 O ATOM 618 NE2 GLN A 41 -2.266 9.264 9.158 1.00 0.00 N ATOM 0 H GLN A 41 -0.202 4.985 7.305 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.693 7.268 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.329 5.848 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.784 6.695 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.922 8.097 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.877 7.690 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.458 8.428 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.962 10.121 9.620 1.00 0.00 H new ATOM 627 N LYS A 42 0.266 8.160 8.811 1.00 0.00 N ATOM 628 CA LYS A 42 0.922 9.275 9.566 1.00 0.00 C ATOM 629 C LYS A 42 2.321 9.569 8.996 1.00 0.00 C ATOM 630 O LYS A 42 3.049 10.379 9.535 1.00 0.00 O ATOM 631 CB LYS A 42 1.077 8.871 11.045 1.00 0.00 C ATOM 632 CG LYS A 42 -0.236 9.066 11.833 1.00 0.00 C ATOM 633 CD LYS A 42 -1.149 7.854 11.648 1.00 0.00 C ATOM 634 CE LYS A 42 -2.519 8.137 12.272 1.00 0.00 C ATOM 635 NZ LYS A 42 -3.203 9.226 11.516 1.00 0.00 N ATOM 0 H LYS A 42 -0.063 7.386 9.388 1.00 0.00 H new ATOM 0 HA LYS A 42 0.299 10.164 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.386 7.828 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.868 9.465 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.016 9.206 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.743 9.968 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.261 7.630 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.702 6.976 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.129 7.234 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.401 8.426 13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.900 9.691 12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.500 9.924 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.687 8.823 10.688 1.00 0.00 H new ATOM 649 N ALA A 43 2.712 8.933 7.927 1.00 0.00 N ATOM 650 CA ALA A 43 4.067 9.208 7.368 1.00 0.00 C ATOM 651 C ALA A 43 4.038 10.518 6.579 1.00 0.00 C ATOM 652 O ALA A 43 3.149 10.763 5.789 1.00 0.00 O ATOM 653 CB ALA A 43 4.493 8.065 6.446 1.00 0.00 C ATOM 0 H ALA A 43 2.159 8.242 7.420 1.00 0.00 H new ATOM 0 HA ALA A 43 4.781 9.291 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.484 8.273 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.520 7.133 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.779 7.973 5.627 1.00 0.00 H new ATOM 659 N THR A 44 5.015 11.354 6.787 1.00 0.00 N ATOM 660 CA THR A 44 5.077 12.655 6.059 1.00 0.00 C ATOM 661 C THR A 44 6.548 13.062 5.948 1.00 0.00 C ATOM 662 O THR A 44 7.001 13.972 6.615 1.00 0.00 O ATOM 663 CB THR A 44 4.296 13.734 6.837 1.00 0.00 C ATOM 664 OG1 THR A 44 4.378 13.458 8.228 1.00 0.00 O ATOM 665 CG2 THR A 44 2.826 13.737 6.405 1.00 0.00 C ATOM 0 H THR A 44 5.783 11.191 7.438 1.00 0.00 H new ATOM 0 HA THR A 44 4.632 12.554 5.069 1.00 0.00 H new ATOM 0 HB THR A 44 4.729 14.712 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.885 14.142 8.727 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.285 14.503 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.761 13.949 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.385 12.761 6.608 1.00 0.00 H new ATOM 673 N PRO A 45 7.288 12.380 5.118 1.00 0.00 N ATOM 674 CA PRO A 45 8.737 12.659 4.923 1.00 0.00 C ATOM 675 C PRO A 45 9.067 14.158 4.738 1.00 0.00 C ATOM 676 O PRO A 45 10.066 14.624 5.248 1.00 0.00 O ATOM 677 CB PRO A 45 9.120 11.832 3.687 1.00 0.00 C ATOM 678 CG PRO A 45 8.099 10.731 3.610 1.00 0.00 C ATOM 679 CD PRO A 45 6.821 11.254 4.283 1.00 0.00 C ATOM 0 HA PRO A 45 9.308 12.387 5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.106 12.444 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.128 11.427 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.904 10.458 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.460 9.834 4.113 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.088 11.582 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.343 10.482 4.886 1.00 0.00 H new ATOM 687 N PRO A 46 8.260 14.919 4.025 1.00 0.00 N ATOM 688 CA PRO A 46 8.515 16.358 3.807 1.00 0.00 C ATOM 689 C PRO A 46 7.718 17.233 4.782 1.00 0.00 C ATOM 690 O PRO A 46 8.132 17.465 5.901 1.00 0.00 O ATOM 691 CB PRO A 46 8.035 16.554 2.366 1.00 0.00 C ATOM 692 CG PRO A 46 6.930 15.541 2.169 1.00 0.00 C ATOM 693 CD PRO A 46 7.023 14.532 3.336 1.00 0.00 C ATOM 0 HA PRO A 46 9.555 16.643 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.670 17.569 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.847 16.393 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.956 16.031 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.040 15.033 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.158 14.600 3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.069 13.504 2.976 1.00 0.00 H new ATOM 701 N LYS A 47 6.577 17.714 4.368 1.00 0.00 N ATOM 702 CA LYS A 47 5.755 18.568 5.275 1.00 0.00 C ATOM 703 C LYS A 47 4.422 18.915 4.603 1.00 0.00 C ATOM 704 O LYS A 47 4.381 19.603 3.602 1.00 0.00 O ATOM 705 CB LYS A 47 6.511 19.878 5.609 1.00 0.00 C ATOM 706 CG LYS A 47 7.496 20.236 4.481 1.00 0.00 C ATOM 707 CD LYS A 47 7.786 21.739 4.513 1.00 0.00 C ATOM 708 CE LYS A 47 8.966 22.062 3.594 1.00 0.00 C ATOM 709 NZ LYS A 47 9.230 23.529 3.629 1.00 0.00 N ATOM 0 H LYS A 47 6.178 17.553 3.443 1.00 0.00 H new ATOM 0 HA LYS A 47 5.568 18.014 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.798 20.691 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.051 19.763 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.422 19.674 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.076 19.957 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.904 22.295 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.011 22.053 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.852 21.514 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.746 21.745 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.032 23.752 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.385 24.042 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.457 23.818 4.602 1.00 0.00 H new ATOM 723 N LEU A 48 3.328 18.475 5.168 1.00 0.00 N ATOM 724 CA LEU A 48 2.001 18.818 4.581 1.00 0.00 C ATOM 725 C LEU A 48 1.616 20.203 5.117 1.00 0.00 C ATOM 726 O LEU A 48 2.409 20.862 5.759 1.00 0.00 O ATOM 727 CB LEU A 48 0.958 17.750 5.004 1.00 0.00 C ATOM 728 CG LEU A 48 0.175 17.239 3.783 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.677 16.036 4.193 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.738 18.349 3.252 1.00 0.00 C ATOM 0 H LEU A 48 3.297 17.896 6.007 1.00 0.00 H new ATOM 0 HA LEU A 48 2.037 18.835 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.462 16.917 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.268 18.177 5.732 1.00 0.00 H new ATOM 0 HG LEU A 48 0.877 16.944 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.233 15.672 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.030 15.243 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.376 16.334 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.291 17.983 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.439 18.647 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.134 19.208 2.959 1.00 0.00 H new ATOM 742 N GLU A 49 0.423 20.661 4.859 1.00 0.00 N ATOM 743 CA GLU A 49 0.032 22.011 5.359 1.00 0.00 C ATOM 744 C GLU A 49 1.128 23.009 4.991 1.00 0.00 C ATOM 745 O GLU A 49 1.279 24.048 5.604 1.00 0.00 O ATOM 746 CB GLU A 49 -0.133 21.975 6.880 1.00 0.00 C ATOM 747 CG GLU A 49 -1.077 20.835 7.269 1.00 0.00 C ATOM 748 CD GLU A 49 -1.439 20.956 8.751 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.671 21.563 9.481 1.00 0.00 O ATOM 750 OE2 GLU A 49 -2.477 20.441 9.132 1.00 0.00 O ATOM 0 H GLU A 49 -0.293 20.165 4.329 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.913 22.309 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.837 21.836 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.530 22.926 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.980 20.872 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.601 19.873 7.077 1.00 0.00 H new ATOM 757 N ASP A 50 1.893 22.692 3.983 1.00 0.00 N ATOM 758 CA ASP A 50 2.993 23.597 3.540 1.00 0.00 C ATOM 759 C ASP A 50 3.038 23.592 2.017 1.00 0.00 C ATOM 760 O ASP A 50 2.672 24.557 1.376 1.00 0.00 O ATOM 761 CB ASP A 50 4.336 23.110 4.107 1.00 0.00 C ATOM 762 CG ASP A 50 4.417 23.455 5.595 1.00 0.00 C ATOM 763 OD1 ASP A 50 3.938 22.665 6.391 1.00 0.00 O ATOM 764 OD2 ASP A 50 4.958 24.500 5.913 1.00 0.00 O ATOM 0 H ASP A 50 1.802 21.833 3.440 1.00 0.00 H new ATOM 0 HA ASP A 50 2.812 24.608 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.433 22.033 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.161 23.577 3.569 1.00 0.00 H new ATOM 769 N LYS A 51 3.455 22.513 1.424 1.00 0.00 N ATOM 770 CA LYS A 51 3.482 22.463 -0.058 1.00 0.00 C ATOM 771 C LYS A 51 2.030 22.499 -0.561 1.00 0.00 C ATOM 772 O LYS A 51 1.306 23.420 -0.258 1.00 0.00 O ATOM 773 CB LYS A 51 4.213 21.196 -0.505 1.00 0.00 C ATOM 774 CG LYS A 51 3.603 19.972 0.186 1.00 0.00 C ATOM 775 CD LYS A 51 4.033 18.696 -0.550 1.00 0.00 C ATOM 776 CE LYS A 51 3.854 17.486 0.371 1.00 0.00 C ATOM 777 NZ LYS A 51 2.414 17.340 0.722 1.00 0.00 N ATOM 0 H LYS A 51 3.776 21.669 1.898 1.00 0.00 H new ATOM 0 HA LYS A 51 4.018 23.315 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.142 21.087 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.273 21.272 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.927 19.930 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.516 20.050 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.438 18.568 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.074 18.777 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.213 16.583 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.449 17.612 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.262 16.423 1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.134 18.107 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.839 17.388 -0.143 1.00 0.00 H new ATOM 791 N SER A 52 1.584 21.520 -1.304 1.00 0.00 N ATOM 792 CA SER A 52 0.175 21.532 -1.782 1.00 0.00 C ATOM 793 C SER A 52 -0.754 21.002 -0.668 1.00 0.00 C ATOM 794 O SER A 52 -0.672 19.845 -0.307 1.00 0.00 O ATOM 795 CB SER A 52 0.065 20.631 -3.008 1.00 0.00 C ATOM 796 OG SER A 52 -1.180 20.863 -3.654 1.00 0.00 O ATOM 0 H SER A 52 2.136 20.715 -1.599 1.00 0.00 H new ATOM 0 HA SER A 52 -0.120 22.549 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.887 20.832 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.145 19.585 -2.713 1.00 0.00 H new ATOM 0 HG SER A 52 -1.853 20.246 -3.298 1.00 0.00 H new ATOM 802 N PRO A 53 -1.633 21.819 -0.113 1.00 0.00 N ATOM 803 CA PRO A 53 -2.560 21.381 0.970 1.00 0.00 C ATOM 804 C PRO A 53 -3.880 20.844 0.413 1.00 0.00 C ATOM 805 O PRO A 53 -4.647 20.209 1.108 1.00 0.00 O ATOM 806 CB PRO A 53 -2.813 22.685 1.713 1.00 0.00 C ATOM 807 CG PRO A 53 -2.902 23.688 0.613 1.00 0.00 C ATOM 808 CD PRO A 53 -1.863 23.248 -0.433 1.00 0.00 C ATOM 0 HA PRO A 53 -2.149 20.575 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.732 22.644 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.005 22.917 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.904 23.712 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.688 24.692 0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.237 23.377 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.944 23.830 -0.355 1.00 0.00 H new ATOM 816 N ASP A 54 -4.158 21.131 -0.829 1.00 0.00 N ATOM 817 CA ASP A 54 -5.438 20.678 -1.435 1.00 0.00 C ATOM 818 C ASP A 54 -6.593 21.382 -0.716 1.00 0.00 C ATOM 819 O ASP A 54 -6.567 22.582 -0.523 1.00 0.00 O ATOM 820 CB ASP A 54 -5.576 19.155 -1.309 1.00 0.00 C ATOM 821 CG ASP A 54 -4.211 18.499 -1.533 1.00 0.00 C ATOM 822 OD1 ASP A 54 -3.548 18.872 -2.488 1.00 0.00 O ATOM 823 OD2 ASP A 54 -3.855 17.637 -0.750 1.00 0.00 O ATOM 0 H ASP A 54 -3.549 21.662 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.457 20.930 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.959 18.894 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.295 18.783 -2.039 1.00 0.00 H new ATOM 828 N SER A 55 -7.601 20.659 -0.306 1.00 0.00 N ATOM 829 CA SER A 55 -8.733 21.323 0.404 1.00 0.00 C ATOM 830 C SER A 55 -9.709 20.308 1.029 1.00 0.00 C ATOM 831 O SER A 55 -10.282 20.595 2.056 1.00 0.00 O ATOM 832 CB SER A 55 -9.501 22.222 -0.569 1.00 0.00 C ATOM 833 OG SER A 55 -10.317 23.122 0.172 1.00 0.00 O ATOM 0 H SER A 55 -7.690 19.650 -0.430 1.00 0.00 H new ATOM 0 HA SER A 55 -8.302 21.915 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.804 22.777 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.117 21.616 -1.234 1.00 0.00 H new ATOM 0 HG SER A 55 -10.810 23.701 -0.446 1.00 0.00 H new ATOM 839 N PRO A 56 -9.930 19.156 0.421 1.00 0.00 N ATOM 840 CA PRO A 56 -10.887 18.126 0.958 1.00 0.00 C ATOM 841 C PRO A 56 -10.653 17.760 2.425 1.00 0.00 C ATOM 842 O PRO A 56 -10.417 16.616 2.739 1.00 0.00 O ATOM 843 CB PRO A 56 -10.637 16.916 0.053 1.00 0.00 C ATOM 844 CG PRO A 56 -10.231 17.530 -1.240 1.00 0.00 C ATOM 845 CD PRO A 56 -9.321 18.686 -0.841 1.00 0.00 C ATOM 0 HA PRO A 56 -11.912 18.497 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.856 16.269 0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.532 16.304 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.708 16.813 -1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.096 17.881 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.291 18.360 -0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.304 19.469 -1.599 1.00 0.00 H new ATOM 853 N GLU A 57 -10.729 18.714 3.324 1.00 0.00 N ATOM 854 CA GLU A 57 -10.509 18.412 4.770 1.00 0.00 C ATOM 855 C GLU A 57 -9.319 17.463 4.898 1.00 0.00 C ATOM 856 O GLU A 57 -9.258 16.642 5.790 1.00 0.00 O ATOM 857 CB GLU A 57 -11.758 17.745 5.354 1.00 0.00 C ATOM 858 CG GLU A 57 -12.964 18.674 5.190 1.00 0.00 C ATOM 859 CD GLU A 57 -14.192 18.033 5.841 1.00 0.00 C ATOM 860 OE1 GLU A 57 -14.101 16.877 6.221 1.00 0.00 O ATOM 861 OE2 GLU A 57 -15.203 18.709 5.948 1.00 0.00 O ATOM 0 H GLU A 57 -10.935 19.691 3.115 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.310 19.336 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.946 16.797 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.602 17.519 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.758 19.640 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.154 18.858 4.133 1.00 0.00 H new ATOM 868 N MET A 58 -8.397 17.555 3.974 1.00 0.00 N ATOM 869 CA MET A 58 -7.218 16.654 3.976 1.00 0.00 C ATOM 870 C MET A 58 -7.696 15.224 3.734 1.00 0.00 C ATOM 871 O MET A 58 -6.913 14.320 3.518 1.00 0.00 O ATOM 872 CB MET A 58 -6.479 16.746 5.310 1.00 0.00 C ATOM 873 CG MET A 58 -6.329 18.217 5.756 1.00 0.00 C ATOM 874 SD MET A 58 -7.612 18.637 6.966 1.00 0.00 S ATOM 875 CE MET A 58 -6.742 20.017 7.751 1.00 0.00 C ATOM 0 H MET A 58 -8.417 18.229 3.209 1.00 0.00 H new ATOM 0 HA MET A 58 -6.528 16.952 3.187 1.00 0.00 H new ATOM 0 HB2 MET A 58 -7.022 16.185 6.071 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.494 16.288 5.217 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.342 18.374 6.192 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.404 18.876 4.891 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.363 20.435 8.544 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.803 19.661 8.175 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.536 20.787 7.008 1.00 0.00 H new ATOM 885 N LYS A 59 -8.986 15.033 3.742 1.00 0.00 N ATOM 886 CA LYS A 59 -9.578 13.692 3.504 1.00 0.00 C ATOM 887 C LYS A 59 -8.934 13.073 2.272 1.00 0.00 C ATOM 888 O LYS A 59 -8.604 11.905 2.241 1.00 0.00 O ATOM 889 CB LYS A 59 -11.082 13.889 3.238 1.00 0.00 C ATOM 890 CG LYS A 59 -11.871 12.571 3.445 1.00 0.00 C ATOM 891 CD LYS A 59 -11.990 11.792 2.114 1.00 0.00 C ATOM 892 CE LYS A 59 -12.046 10.285 2.393 1.00 0.00 C ATOM 893 NZ LYS A 59 -10.813 9.869 3.120 1.00 0.00 N ATOM 0 H LYS A 59 -9.670 15.772 3.908 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.416 13.040 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.473 14.657 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.229 14.246 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.369 11.954 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.865 12.793 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.886 12.105 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.139 12.020 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.929 10.047 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.133 9.734 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.574 8.889 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.026 10.496 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.977 9.931 4.145 1.00 0.00 H new ATOM 907 N ASP A 60 -8.771 13.856 1.255 1.00 0.00 N ATOM 908 CA ASP A 60 -8.170 13.341 0.008 1.00 0.00 C ATOM 909 C ASP A 60 -6.796 12.736 0.322 1.00 0.00 C ATOM 910 O ASP A 60 -6.348 11.824 -0.344 1.00 0.00 O ATOM 911 CB ASP A 60 -8.075 14.507 -0.982 1.00 0.00 C ATOM 912 CG ASP A 60 -7.031 14.219 -2.067 1.00 0.00 C ATOM 913 OD1 ASP A 60 -7.088 13.146 -2.646 1.00 0.00 O ATOM 914 OD2 ASP A 60 -6.194 15.075 -2.300 1.00 0.00 O ATOM 0 H ASP A 60 -9.031 14.842 1.234 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.777 12.553 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.048 14.678 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.810 15.421 -0.450 1.00 0.00 H new ATOM 919 N PHE A 61 -6.143 13.199 1.355 1.00 0.00 N ATOM 920 CA PHE A 61 -4.832 12.603 1.723 1.00 0.00 C ATOM 921 C PHE A 61 -5.120 11.237 2.353 1.00 0.00 C ATOM 922 O PHE A 61 -4.604 10.215 1.944 1.00 0.00 O ATOM 923 CB PHE A 61 -4.122 13.530 2.729 1.00 0.00 C ATOM 924 CG PHE A 61 -2.616 13.393 2.607 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.978 13.728 1.405 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.859 12.939 3.695 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.588 13.609 1.292 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.466 12.822 3.582 1.00 0.00 C ATOM 929 CZ PHE A 61 0.168 13.156 2.379 1.00 0.00 C ATOM 0 H PHE A 61 -6.461 13.960 1.955 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.184 12.485 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.415 14.564 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.435 13.283 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.559 14.078 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.349 12.679 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.098 13.867 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.117 12.475 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.240 13.064 2.290 1.00 0.00 H new ATOM 939 N ARG A 62 -5.972 11.235 3.340 1.00 0.00 N ATOM 940 CA ARG A 62 -6.357 9.971 4.025 1.00 0.00 C ATOM 941 C ARG A 62 -7.031 9.031 3.018 1.00 0.00 C ATOM 942 O ARG A 62 -6.902 7.826 3.098 1.00 0.00 O ATOM 943 CB ARG A 62 -7.329 10.314 5.164 1.00 0.00 C ATOM 944 CG ARG A 62 -6.633 11.237 6.207 1.00 0.00 C ATOM 945 CD ARG A 62 -7.389 12.564 6.320 1.00 0.00 C ATOM 946 NE ARG A 62 -6.773 13.410 7.380 1.00 0.00 N ATOM 947 CZ ARG A 62 -5.643 14.019 7.153 1.00 0.00 C ATOM 948 NH1 ARG A 62 -5.035 13.860 6.010 1.00 0.00 N ATOM 949 NH2 ARG A 62 -5.119 14.785 8.070 1.00 0.00 N ATOM 0 H ARG A 62 -6.425 12.072 3.707 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.476 9.474 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.212 10.810 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.670 9.399 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.602 10.743 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.601 11.421 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.366 13.088 5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.437 12.377 6.555 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.235 13.513 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.444 13.259 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.151 14.336 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.594 14.907 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.235 15.261 7.892 1.00 0.00 H new ATOM 963 N HIS A 63 -7.743 9.575 2.065 1.00 0.00 N ATOM 964 CA HIS A 63 -8.417 8.714 1.048 1.00 0.00 C ATOM 965 C HIS A 63 -7.350 7.965 0.257 1.00 0.00 C ATOM 966 O HIS A 63 -7.529 6.830 -0.102 1.00 0.00 O ATOM 967 CB HIS A 63 -9.270 9.595 0.109 1.00 0.00 C ATOM 968 CG HIS A 63 -10.494 8.842 -0.363 1.00 0.00 C ATOM 969 ND1 HIS A 63 -10.990 7.736 0.311 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.335 9.034 -1.430 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.077 7.312 -0.346 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.336 8.066 -1.417 1.00 0.00 N ATOM 0 H HIS A 63 -7.887 10.578 1.947 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.074 7.995 1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.574 10.503 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.674 9.904 -0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.236 9.817 -2.168 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.672 6.462 -0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -13.102 7.957 -2.082 1.00 0.00 H new ATOM 980 N GLY A 64 -6.233 8.569 -0.004 1.00 0.00 N ATOM 981 CA GLY A 64 -5.192 7.831 -0.763 1.00 0.00 C ATOM 982 C GLY A 64 -4.695 6.678 0.102 1.00 0.00 C ATOM 983 O GLY A 64 -4.351 5.623 -0.392 1.00 0.00 O ATOM 0 H GLY A 64 -5.996 9.523 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.601 7.453 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.367 8.495 -1.020 1.00 0.00 H new ATOM 987 N PHE A 65 -4.689 6.854 1.398 1.00 0.00 N ATOM 988 CA PHE A 65 -4.256 5.746 2.291 1.00 0.00 C ATOM 989 C PHE A 65 -5.444 4.803 2.473 1.00 0.00 C ATOM 990 O PHE A 65 -5.299 3.597 2.502 1.00 0.00 O ATOM 991 CB PHE A 65 -3.820 6.297 3.650 1.00 0.00 C ATOM 992 CG PHE A 65 -2.495 7.006 3.496 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.314 6.269 3.335 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.449 8.401 3.510 1.00 0.00 C ATOM 995 CE1 PHE A 65 -0.090 6.934 3.187 1.00 0.00 C ATOM 996 CE2 PHE A 65 -1.229 9.066 3.361 1.00 0.00 C ATOM 997 CZ PHE A 65 -0.049 8.335 3.199 1.00 0.00 C ATOM 0 H PHE A 65 -4.964 7.714 1.872 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.409 5.219 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.572 6.986 4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.730 5.486 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.347 5.190 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.359 8.968 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.821 6.368 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.198 10.146 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.894 8.849 3.083 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.629 5.351 2.572 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.836 4.493 2.723 1.00 0.00 C ATOM 1009 C ASP A 66 -8.100 3.807 1.381 1.00 0.00 C ATOM 1010 O ASP A 66 -8.310 2.612 1.309 1.00 0.00 O ATOM 1011 CB ASP A 66 -9.045 5.356 3.116 1.00 0.00 C ATOM 1012 CG ASP A 66 -10.112 4.481 3.781 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -10.332 3.382 3.300 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.689 4.926 4.759 1.00 0.00 O ATOM 0 H ASP A 66 -6.809 6.355 2.554 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.676 3.749 3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.733 6.147 3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.459 5.842 2.233 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.071 4.562 0.313 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.297 3.963 -1.030 1.00 0.00 C ATOM 1021 C ILE A 67 -7.274 2.846 -1.222 1.00 0.00 C ATOM 1022 O ILE A 67 -7.603 1.737 -1.598 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.102 5.030 -2.123 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.243 6.077 -2.058 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.073 4.358 -3.506 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.478 5.599 -2.841 1.00 0.00 C ATOM 0 H ILE A 67 -7.900 5.568 0.316 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.312 3.573 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.153 5.541 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.515 6.259 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.894 7.026 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.935 5.117 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.249 3.645 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.014 3.835 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.263 6.353 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.208 5.442 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.839 4.663 -2.415 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.030 3.133 -0.952 1.00 0.00 N ATOM 1039 CA LEU A 68 -4.975 2.097 -1.097 1.00 0.00 C ATOM 1040 C LEU A 68 -5.351 0.906 -0.211 1.00 0.00 C ATOM 1041 O LEU A 68 -5.300 -0.234 -0.623 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.631 2.699 -0.665 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.563 1.609 -0.511 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.500 0.737 -1.777 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.204 2.276 -0.282 1.00 0.00 C ATOM 0 H LEU A 68 -5.700 4.045 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.889 1.761 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.303 3.432 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.753 3.229 0.279 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.818 0.974 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.737 -0.032 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.468 0.264 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.250 1.360 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.437 1.510 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.962 2.911 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.244 2.883 0.623 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.764 1.170 0.998 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.178 0.072 1.903 1.00 0.00 C ATOM 1059 C VAL A 69 -7.435 -0.579 1.326 1.00 0.00 C ATOM 1060 O VAL A 69 -7.782 -1.687 1.665 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.493 0.669 3.280 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.265 -0.334 4.131 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.187 1.050 3.990 1.00 0.00 C ATOM 0 H VAL A 69 -5.831 2.107 1.396 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.387 -0.672 1.998 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.107 1.559 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.481 0.105 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.200 -0.590 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.666 -1.235 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.415 1.474 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.568 0.161 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.649 1.786 3.392 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.125 0.118 0.468 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.374 -0.442 -0.116 1.00 0.00 C ATOM 1075 C GLY A 70 -9.047 -1.453 -1.210 1.00 0.00 C ATOM 1076 O GLY A 70 -9.580 -2.545 -1.229 1.00 0.00 O ATOM 0 H GLY A 70 -7.877 1.053 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.964 -0.921 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.983 0.363 -0.527 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.178 -1.117 -2.124 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.843 -2.091 -3.193 1.00 0.00 C ATOM 1082 C GLN A 71 -7.019 -3.205 -2.559 1.00 0.00 C ATOM 1083 O GLN A 71 -7.100 -4.354 -2.948 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.130 -1.353 -4.355 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.594 -1.419 -4.246 1.00 0.00 C ATOM 1086 CD GLN A 71 -5.080 -2.677 -4.941 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -4.003 -2.676 -5.499 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.822 -3.750 -4.947 1.00 0.00 N ATOM 0 H GLN A 71 -7.693 -0.221 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.728 -2.549 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.442 -1.790 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.445 -0.310 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.150 -0.534 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.294 -1.423 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.727 -3.747 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.497 -4.592 -5.422 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.282 -2.886 -1.535 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.522 -3.941 -0.819 1.00 0.00 C ATOM 1099 C ILE A 72 -6.528 -4.737 0.027 1.00 0.00 C ATOM 1100 O ILE A 72 -6.383 -5.927 0.225 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.438 -3.296 0.079 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.170 -3.062 -0.749 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.097 -4.217 1.261 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.202 -2.163 0.022 1.00 0.00 C ATOM 0 H ILE A 72 -6.174 -1.942 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.016 -4.602 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.821 -2.351 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.692 -4.015 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.428 -2.600 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.333 -3.746 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.993 -4.390 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.723 -5.169 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.303 -2.001 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.679 -1.205 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.933 -2.642 0.964 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.549 -4.081 0.532 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.558 -4.808 1.366 1.00 0.00 C ATOM 1118 C ASP A 73 -9.248 -5.873 0.512 1.00 0.00 C ATOM 1119 O ASP A 73 -9.218 -7.049 0.820 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.601 -3.825 1.916 1.00 0.00 C ATOM 1121 CG ASP A 73 -10.787 -4.594 2.511 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.568 -5.685 3.013 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.891 -4.079 2.453 1.00 0.00 O ATOM 0 H ASP A 73 -7.725 -3.084 0.404 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.052 -5.284 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.148 -3.192 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.947 -3.166 1.119 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.875 -5.468 -0.559 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.569 -6.455 -1.429 1.00 0.00 C ATOM 1130 C ASP A 74 -9.538 -7.447 -1.955 1.00 0.00 C ATOM 1131 O ASP A 74 -9.850 -8.580 -2.246 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.239 -5.726 -2.602 1.00 0.00 C ATOM 1133 CG ASP A 74 -12.573 -5.131 -2.146 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -12.582 -4.452 -1.133 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -13.564 -5.368 -2.818 1.00 0.00 O ATOM 0 H ASP A 74 -9.936 -4.498 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.334 -6.983 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.586 -4.936 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.402 -6.419 -3.428 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.305 -7.046 -2.063 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.280 -8.000 -2.544 1.00 0.00 C ATOM 1142 C ALA A 75 -6.999 -8.988 -1.420 1.00 0.00 C ATOM 1143 O ALA A 75 -6.709 -10.144 -1.653 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.997 -7.256 -2.923 1.00 0.00 C ATOM 0 H ALA A 75 -7.968 -6.109 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.639 -8.523 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.253 -7.970 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.213 -6.538 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.611 -6.729 -2.050 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.120 -8.549 -0.193 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.902 -9.465 0.942 1.00 0.00 C ATOM 1152 C LEU A 76 -7.883 -10.626 0.750 1.00 0.00 C ATOM 1153 O LEU A 76 -7.609 -11.766 1.069 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.208 -8.694 2.255 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.114 -8.946 3.333 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.031 -7.840 3.291 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -6.756 -8.977 4.734 1.00 0.00 C ATOM 0 H LEU A 76 -7.361 -7.591 0.062 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.879 -9.838 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.274 -7.627 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.179 -9.003 2.642 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.643 -9.906 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.278 -8.039 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.559 -7.830 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.493 -6.871 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.985 -9.154 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.243 -8.022 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.495 -9.777 4.778 1.00 0.00 H new ATOM 1169 N LYS A 77 -9.027 -10.313 0.202 1.00 0.00 N ATOM 1170 CA LYS A 77 -10.057 -11.332 -0.061 1.00 0.00 C ATOM 1171 C LYS A 77 -9.572 -12.276 -1.158 1.00 0.00 C ATOM 1172 O LYS A 77 -9.650 -13.483 -1.036 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.322 -10.618 -0.541 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.507 -11.581 -0.448 1.00 0.00 C ATOM 1175 CD LYS A 77 -13.071 -11.600 0.997 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.490 -13.024 1.387 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.376 -12.969 2.585 1.00 0.00 N ATOM 0 H LYS A 77 -9.287 -9.367 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.259 -11.905 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.508 -9.733 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.194 -10.277 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.287 -11.278 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.193 -12.584 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.318 -11.232 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.927 -10.929 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.011 -13.502 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.609 -13.629 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.661 -13.933 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.864 -12.529 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.222 -12.406 2.365 1.00 0.00 H new ATOM 1191 N LEU A 78 -9.077 -11.730 -2.233 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.593 -12.588 -3.341 1.00 0.00 C ATOM 1193 C LEU A 78 -7.517 -13.510 -2.777 1.00 0.00 C ATOM 1194 O LEU A 78 -7.405 -14.660 -3.153 1.00 0.00 O ATOM 1195 CB LEU A 78 -8.023 -11.688 -4.454 1.00 0.00 C ATOM 1196 CG LEU A 78 -9.119 -11.377 -5.488 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -10.372 -10.825 -4.780 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.589 -10.341 -6.496 1.00 0.00 C ATOM 0 H LEU A 78 -8.988 -10.726 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.398 -13.188 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.642 -10.761 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.182 -12.184 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.388 -12.293 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.142 -10.608 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.746 -11.566 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.115 -9.911 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.363 -10.118 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.316 -9.427 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.712 -10.743 -7.004 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.750 -13.021 -1.850 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.708 -13.869 -1.226 1.00 0.00 C ATOM 1212 C ALA A 79 -6.396 -15.013 -0.478 1.00 0.00 C ATOM 1213 O ALA A 79 -6.055 -16.170 -0.628 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.904 -13.027 -0.229 1.00 0.00 C ATOM 0 H ALA A 79 -6.801 -12.066 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.040 -14.267 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.135 -13.646 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.433 -12.195 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.571 -12.640 0.542 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.359 -14.686 0.345 1.00 0.00 N ATOM 1221 CA ASN A 80 -8.070 -15.732 1.129 1.00 0.00 C ATOM 1222 C ASN A 80 -9.018 -16.552 0.238 1.00 0.00 C ATOM 1223 O ASN A 80 -9.527 -17.574 0.654 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.862 -15.064 2.270 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.902 -16.012 3.465 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -9.958 -16.421 3.905 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.777 -16.378 4.006 1.00 0.00 N ATOM 0 H ASN A 80 -7.683 -13.732 0.506 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.330 -16.416 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.394 -14.121 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.874 -14.831 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.778 -17.012 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.894 -16.031 3.631 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.278 -16.120 -0.973 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.213 -16.893 -1.856 1.00 0.00 C ATOM 1236 C GLU A 81 -9.423 -17.835 -2.767 1.00 0.00 C ATOM 1237 O GLU A 81 -9.979 -18.720 -3.385 1.00 0.00 O ATOM 1238 CB GLU A 81 -11.022 -15.925 -2.721 1.00 0.00 C ATOM 1239 CG GLU A 81 -12.110 -15.274 -1.868 1.00 0.00 C ATOM 1240 CD GLU A 81 -12.842 -14.216 -2.691 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -12.313 -13.819 -3.716 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.923 -13.821 -2.285 1.00 0.00 O ATOM 0 H GLU A 81 -8.888 -15.273 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.884 -17.478 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.368 -15.161 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.471 -16.457 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.814 -16.030 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.668 -14.818 -0.982 1.00 0.00 H new ATOM 1249 N GLY A 82 -8.130 -17.663 -2.848 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.304 -18.563 -3.710 1.00 0.00 C ATOM 1251 C GLY A 82 -7.000 -17.895 -5.055 1.00 0.00 C ATOM 1252 O GLY A 82 -6.514 -18.532 -5.968 1.00 0.00 O ATOM 0 H GLY A 82 -7.609 -16.938 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.372 -18.808 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.832 -19.502 -3.876 1.00 0.00 H new ATOM 1256 N LYS A 83 -7.261 -16.616 -5.190 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.959 -15.927 -6.487 1.00 0.00 C ATOM 1258 C LYS A 83 -5.564 -15.306 -6.383 1.00 0.00 C ATOM 1259 O LYS A 83 -5.400 -14.125 -6.152 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.998 -14.840 -6.786 1.00 0.00 C ATOM 1261 CG LYS A 83 -9.397 -15.314 -6.398 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.673 -16.688 -7.017 1.00 0.00 C ATOM 1263 CE LYS A 83 -11.168 -17.004 -6.922 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.916 -16.185 -7.916 1.00 0.00 N ATOM 0 H LYS A 83 -7.666 -16.023 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.995 -16.650 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.750 -13.932 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.974 -14.588 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.483 -15.370 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.142 -14.595 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.354 -16.699 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.096 -17.454 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.338 -18.064 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.531 -16.794 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.844 -16.619 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.050 -15.224 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.377 -16.139 -8.804 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.568 -16.123 -6.537 1.00 0.00 N ATOM 1279 CA VAL A 84 -3.155 -15.654 -6.439 1.00 0.00 C ATOM 1280 C VAL A 84 -2.774 -14.903 -7.707 1.00 0.00 C ATOM 1281 O VAL A 84 -2.281 -13.794 -7.650 1.00 0.00 O ATOM 1282 CB VAL A 84 -2.233 -16.868 -6.252 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.801 -16.394 -5.988 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.731 -17.703 -5.066 1.00 0.00 C ATOM 0 H VAL A 84 -4.671 -17.119 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.049 -14.983 -5.586 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.244 -17.477 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.150 -17.258 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.452 -15.803 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.781 -15.783 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.079 -18.566 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.720 -17.094 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.748 -18.043 -5.262 1.00 0.00 H new ATOM 1294 N LYS A 85 -3.009 -15.473 -8.854 1.00 0.00 N ATOM 1295 CA LYS A 85 -2.663 -14.749 -10.104 1.00 0.00 C ATOM 1296 C LYS A 85 -3.317 -13.368 -10.052 1.00 0.00 C ATOM 1297 O LYS A 85 -2.737 -12.377 -10.448 1.00 0.00 O ATOM 1298 CB LYS A 85 -3.183 -15.525 -11.326 1.00 0.00 C ATOM 1299 CG LYS A 85 -2.396 -16.851 -11.511 1.00 0.00 C ATOM 1300 CD LYS A 85 -3.188 -18.034 -10.934 1.00 0.00 C ATOM 1301 CE LYS A 85 -2.334 -19.302 -11.009 1.00 0.00 C ATOM 1302 NZ LYS A 85 -3.112 -20.459 -10.484 1.00 0.00 N ATOM 0 H LYS A 85 -3.421 -16.398 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.581 -14.653 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.244 -15.741 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.086 -14.911 -12.221 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.200 -17.019 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.428 -16.778 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.466 -17.830 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.114 -18.172 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.034 -19.490 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.420 -19.172 -10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.531 -21.320 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.377 -20.279 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.972 -20.587 -11.055 1.00 0.00 H new ATOM 1316 N GLU A 86 -4.517 -13.295 -9.538 1.00 0.00 N ATOM 1317 CA GLU A 86 -5.202 -11.982 -9.429 1.00 0.00 C ATOM 1318 C GLU A 86 -4.478 -11.150 -8.381 1.00 0.00 C ATOM 1319 O GLU A 86 -4.252 -9.969 -8.554 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.661 -12.162 -8.990 1.00 0.00 C ATOM 1321 CG GLU A 86 -7.470 -12.880 -10.084 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.770 -14.171 -10.517 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -6.621 -15.051 -9.687 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -6.395 -14.255 -11.674 1.00 0.00 O ATOM 0 H GLU A 86 -5.050 -14.092 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.187 -11.491 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.700 -12.737 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.106 -11.189 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.469 -13.109 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.593 -12.221 -10.944 1.00 0.00 H new ATOM 1331 N ALA A 87 -4.122 -11.760 -7.280 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.426 -10.996 -6.211 1.00 0.00 C ATOM 1333 C ALA A 87 -2.035 -10.578 -6.697 1.00 0.00 C ATOM 1334 O ALA A 87 -1.658 -9.425 -6.631 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.297 -11.869 -4.958 1.00 0.00 C ATOM 0 H ALA A 87 -4.283 -12.747 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.003 -10.103 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.787 -11.308 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.290 -12.156 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.723 -12.764 -5.196 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.277 -11.516 -7.181 1.00 0.00 N ATOM 1342 CA GLN A 88 0.089 -11.219 -7.677 1.00 0.00 C ATOM 1343 C GLN A 88 -0.002 -10.207 -8.834 1.00 0.00 C ATOM 1344 O GLN A 88 0.688 -9.206 -8.850 1.00 0.00 O ATOM 1345 CB GLN A 88 0.731 -12.575 -8.089 1.00 0.00 C ATOM 1346 CG GLN A 88 1.172 -12.611 -9.556 1.00 0.00 C ATOM 1347 CD GLN A 88 2.045 -13.846 -9.791 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.135 -13.740 -10.315 1.00 0.00 O ATOM 1349 NE2 GLN A 88 1.608 -15.020 -9.423 1.00 0.00 N ATOM 0 H GLN A 88 -1.553 -12.495 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 88 0.721 -10.757 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.594 -12.770 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.015 -13.378 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.300 -12.638 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.727 -11.706 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.692 -15.108 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.183 -15.849 -9.576 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.845 -10.451 -9.793 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.965 -9.491 -10.927 1.00 0.00 C ATOM 1360 C ALA A 89 -1.266 -8.102 -10.355 1.00 0.00 C ATOM 1361 O ALA A 89 -0.764 -7.098 -10.826 1.00 0.00 O ATOM 1362 CB ALA A 89 -2.102 -9.926 -11.855 1.00 0.00 C ATOM 0 H ALA A 89 -1.454 -11.268 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.037 -9.468 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.186 -9.221 -12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.892 -10.922 -12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.039 -9.945 -11.298 1.00 0.00 H new ATOM 1368 N ALA A 90 -2.054 -8.038 -9.317 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.348 -6.717 -8.700 1.00 0.00 C ATOM 1370 C ALA A 90 -1.044 -6.180 -8.112 1.00 0.00 C ATOM 1371 O ALA A 90 -0.797 -4.995 -8.093 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.387 -6.886 -7.589 1.00 0.00 C ATOM 0 H ALA A 90 -2.504 -8.839 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.746 -6.026 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.600 -5.916 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.304 -7.301 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.998 -7.562 -6.827 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.185 -7.054 -7.656 1.00 0.00 N ATOM 1379 CA ALA A 91 1.118 -6.590 -7.093 1.00 0.00 C ATOM 1380 C ALA A 91 1.751 -5.628 -8.096 1.00 0.00 C ATOM 1381 O ALA A 91 2.244 -4.577 -7.738 1.00 0.00 O ATOM 1382 CB ALA A 91 2.043 -7.791 -6.867 1.00 0.00 C ATOM 0 H ALA A 91 -0.328 -8.064 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 91 0.961 -6.089 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.992 -7.447 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.575 -8.484 -6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.221 -8.297 -7.816 1.00 0.00 H new ATOM 1388 N GLU A 92 1.707 -5.963 -9.358 1.00 0.00 N ATOM 1389 CA GLU A 92 2.269 -5.047 -10.381 1.00 0.00 C ATOM 1390 C GLU A 92 1.421 -3.775 -10.383 1.00 0.00 C ATOM 1391 O GLU A 92 1.900 -2.699 -10.682 1.00 0.00 O ATOM 1392 CB GLU A 92 2.239 -5.730 -11.760 1.00 0.00 C ATOM 1393 CG GLU A 92 3.544 -6.525 -11.975 1.00 0.00 C ATOM 1394 CD GLU A 92 3.301 -7.683 -12.949 1.00 0.00 C ATOM 1395 OE1 GLU A 92 2.315 -8.383 -12.774 1.00 0.00 O ATOM 1396 OE2 GLU A 92 4.104 -7.850 -13.851 1.00 0.00 O ATOM 0 H GLU A 92 1.307 -6.829 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 92 3.306 -4.798 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.380 -6.397 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.124 -4.982 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.320 -5.867 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.905 -6.911 -11.022 1.00 0.00 H new ATOM 1403 N GLN A 93 0.171 -3.881 -10.009 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.682 -2.669 -9.946 1.00 0.00 C ATOM 1405 C GLN A 93 -0.230 -1.882 -8.724 1.00 0.00 C ATOM 1406 O GLN A 93 -0.109 -0.673 -8.752 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.162 -3.074 -9.794 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.110 -1.872 -10.055 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.636 -1.283 -8.730 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -4.795 -0.932 -8.634 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -2.835 -1.158 -7.703 1.00 0.00 N ATOM 0 H GLN A 93 -0.289 -4.753 -9.747 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.589 -2.074 -10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.393 -3.879 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.333 -3.462 -8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.580 -1.101 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.949 -2.194 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.861 -1.451 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.185 -0.768 -6.828 1.00 0.00 H new ATOM 1420 N LEU A 94 0.040 -2.574 -7.646 1.00 0.00 N ATOM 1421 CA LEU A 94 0.507 -1.880 -6.421 1.00 0.00 C ATOM 1422 C LEU A 94 1.901 -1.305 -6.695 1.00 0.00 C ATOM 1423 O LEU A 94 2.230 -0.218 -6.278 1.00 0.00 O ATOM 1424 CB LEU A 94 0.562 -2.862 -5.243 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.853 -3.112 -4.684 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.619 -4.075 -5.591 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.753 -3.732 -3.289 1.00 0.00 C ATOM 0 H LEU A 94 -0.044 -3.587 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.184 -1.078 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.003 -3.804 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.204 -2.463 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.379 -2.159 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.616 -4.242 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.702 -3.646 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.086 -5.024 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.755 -3.908 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.216 -4.678 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.217 -3.052 -2.626 1.00 0.00 H new ATOM 1439 N LYS A 95 2.725 -1.999 -7.434 1.00 0.00 N ATOM 1440 CA LYS A 95 4.063 -1.425 -7.748 1.00 0.00 C ATOM 1441 C LYS A 95 3.816 -0.041 -8.357 1.00 0.00 C ATOM 1442 O LYS A 95 4.498 0.931 -8.072 1.00 0.00 O ATOM 1443 CB LYS A 95 4.792 -2.324 -8.761 1.00 0.00 C ATOM 1444 CG LYS A 95 5.282 -3.626 -8.078 1.00 0.00 C ATOM 1445 CD LYS A 95 6.615 -4.080 -8.698 1.00 0.00 C ATOM 1446 CE LYS A 95 7.762 -3.121 -8.292 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.909 -3.925 -7.778 1.00 0.00 N ATOM 0 H LYS A 95 2.534 -2.921 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 95 4.682 -1.355 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.123 -2.569 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.640 -1.788 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.408 -3.459 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.533 -4.410 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.848 -5.093 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.526 -4.109 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.075 -2.524 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.418 -2.425 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.684 -3.288 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.604 -4.476 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.240 -4.572 -8.522 1.00 0.00 H new ATOM 1461 N THR A 96 2.802 0.050 -9.171 1.00 0.00 N ATOM 1462 CA THR A 96 2.448 1.352 -9.791 1.00 0.00 C ATOM 1463 C THR A 96 1.862 2.278 -8.717 1.00 0.00 C ATOM 1464 O THR A 96 1.944 3.485 -8.827 1.00 0.00 O ATOM 1465 CB THR A 96 1.417 1.118 -10.910 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.688 -0.126 -11.541 1.00 0.00 O ATOM 1467 CG2 THR A 96 1.501 2.242 -11.948 1.00 0.00 C ATOM 0 H THR A 96 2.200 -0.730 -9.434 1.00 0.00 H new ATOM 0 HA THR A 96 3.337 1.817 -10.218 1.00 0.00 H new ATOM 0 HB THR A 96 0.416 1.107 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.237 -0.846 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.767 2.066 -12.735 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.295 3.198 -11.467 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.501 2.262 -12.382 1.00 0.00 H new ATOM 1475 N THR A 97 1.283 1.735 -7.670 1.00 0.00 N ATOM 1476 CA THR A 97 0.725 2.631 -6.615 1.00 0.00 C ATOM 1477 C THR A 97 1.888 3.450 -6.059 1.00 0.00 C ATOM 1478 O THR A 97 1.798 4.649 -5.901 1.00 0.00 O ATOM 1479 CB THR A 97 0.059 1.824 -5.479 1.00 0.00 C ATOM 1480 OG1 THR A 97 -1.285 1.535 -5.835 1.00 0.00 O ATOM 1481 CG2 THR A 97 0.076 2.629 -4.172 1.00 0.00 C ATOM 0 H THR A 97 1.176 0.734 -7.505 1.00 0.00 H new ATOM 0 HA THR A 97 -0.045 3.272 -7.044 1.00 0.00 H new ATOM 0 HB THR A 97 0.613 0.897 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.710 1.021 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.397 2.048 -3.380 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.107 2.850 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.470 3.562 -4.312 1.00 0.00 H new ATOM 1489 N ILE A 98 2.987 2.802 -5.767 1.00 0.00 N ATOM 1490 CA ILE A 98 4.160 3.535 -5.232 1.00 0.00 C ATOM 1491 C ILE A 98 4.444 4.707 -6.160 1.00 0.00 C ATOM 1492 O ILE A 98 4.710 5.810 -5.731 1.00 0.00 O ATOM 1493 CB ILE A 98 5.371 2.613 -5.220 1.00 0.00 C ATOM 1494 CG1 ILE A 98 5.078 1.393 -4.344 1.00 0.00 C ATOM 1495 CG2 ILE A 98 6.586 3.365 -4.665 1.00 0.00 C ATOM 1496 CD1 ILE A 98 6.164 0.338 -4.557 1.00 0.00 C ATOM 0 H ILE A 98 3.117 1.796 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 98 3.959 3.882 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 98 5.584 2.285 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.042 1.686 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.101 0.979 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.452 2.703 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.797 4.230 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.375 3.698 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.955 -0.531 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.178 0.037 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.134 0.754 -4.286 1.00 0.00 H new ATOM 1508 N ARG A 99 4.380 4.467 -7.443 1.00 0.00 N ATOM 1509 CA ARG A 99 4.636 5.564 -8.408 1.00 0.00 C ATOM 1510 C ARG A 99 3.576 6.662 -8.241 1.00 0.00 C ATOM 1511 O ARG A 99 3.886 7.815 -8.000 1.00 0.00 O ATOM 1512 CB ARG A 99 4.591 5.017 -9.840 1.00 0.00 C ATOM 1513 CG ARG A 99 4.967 6.137 -10.850 1.00 0.00 C ATOM 1514 CD ARG A 99 5.969 5.608 -11.886 1.00 0.00 C ATOM 1515 NE ARG A 99 7.331 5.583 -11.281 1.00 0.00 N ATOM 1516 CZ ARG A 99 8.382 5.435 -12.041 1.00 0.00 C ATOM 1517 NH1 ARG A 99 8.241 5.303 -13.331 1.00 0.00 N ATOM 1518 NH2 ARG A 99 9.573 5.419 -11.509 1.00 0.00 N ATOM 0 H ARG A 99 4.162 3.561 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 99 5.623 5.985 -8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.281 4.179 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.594 4.636 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.070 6.498 -11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.398 6.986 -10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.683 4.607 -12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.963 6.242 -12.772 1.00 0.00 H new ATOM 0 HE ARG A 99 7.442 5.682 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.309 5.315 -13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.062 5.187 -13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.682 5.522 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.395 5.303 -12.102 1.00 0.00 H new ATOM 1532 N ALA A 100 2.322 6.317 -8.364 1.00 0.00 N ATOM 1533 CA ALA A 100 1.251 7.344 -8.208 1.00 0.00 C ATOM 1534 C ALA A 100 1.287 7.881 -6.777 1.00 0.00 C ATOM 1535 O ALA A 100 0.834 8.967 -6.485 1.00 0.00 O ATOM 1536 CB ALA A 100 -0.112 6.709 -8.487 1.00 0.00 C ATOM 0 H ALA A 100 1.994 5.372 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 100 1.414 8.160 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.894 7.460 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.130 6.318 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.285 5.895 -7.783 1.00 0.00 H new ATOM 1542 N TYR A 101 1.845 7.143 -5.876 1.00 0.00 N ATOM 1543 CA TYR A 101 1.926 7.631 -4.489 1.00 0.00 C ATOM 1544 C TYR A 101 3.032 8.677 -4.440 1.00 0.00 C ATOM 1545 O TYR A 101 3.025 9.575 -3.623 1.00 0.00 O ATOM 1546 CB TYR A 101 2.271 6.450 -3.589 1.00 0.00 C ATOM 1547 CG TYR A 101 2.636 6.927 -2.215 1.00 0.00 C ATOM 1548 CD1 TYR A 101 3.917 7.422 -1.986 1.00 0.00 C ATOM 1549 CD2 TYR A 101 1.705 6.872 -1.179 1.00 0.00 C ATOM 1550 CE1 TYR A 101 4.273 7.869 -0.717 1.00 0.00 C ATOM 1551 CE2 TYR A 101 2.056 7.318 0.097 1.00 0.00 C ATOM 1552 CZ TYR A 101 3.342 7.820 0.331 1.00 0.00 C ATOM 1553 OH TYR A 101 3.695 8.263 1.589 1.00 0.00 O ATOM 0 H TYR A 101 2.249 6.221 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 101 0.986 8.070 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.422 5.769 -3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.101 5.888 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.634 7.459 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.714 6.485 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.266 8.254 -0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.337 7.276 0.902 1.00 0.00 H new ATOM 0 HH TYR A 101 2.934 8.160 2.198 1.00 0.00 H new ATOM 1563 N ASN A 102 3.994 8.560 -5.318 1.00 0.00 N ATOM 1564 CA ASN A 102 5.105 9.542 -5.322 1.00 0.00 C ATOM 1565 C ASN A 102 4.582 10.921 -5.736 1.00 0.00 C ATOM 1566 O ASN A 102 5.022 11.924 -5.209 1.00 0.00 O ATOM 1567 CB ASN A 102 6.260 9.054 -6.230 1.00 0.00 C ATOM 1568 CG ASN A 102 6.904 10.205 -7.026 1.00 0.00 C ATOM 1569 OD1 ASN A 102 7.281 10.029 -8.167 1.00 0.00 O ATOM 1570 ND2 ASN A 102 7.046 11.380 -6.469 1.00 0.00 N ATOM 0 H ASN A 102 4.054 7.829 -6.027 1.00 0.00 H new ATOM 0 HA ASN A 102 5.511 9.633 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.020 8.569 -5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.882 8.303 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.472 12.145 -6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.731 11.532 -5.511 1.00 0.00 H new ATOM 1577 N GLN A 103 3.642 11.014 -6.643 1.00 0.00 N ATOM 1578 CA GLN A 103 3.157 12.377 -6.983 1.00 0.00 C ATOM 1579 C GLN A 103 2.491 12.889 -5.717 1.00 0.00 C ATOM 1580 O GLN A 103 2.415 14.074 -5.464 1.00 0.00 O ATOM 1581 CB GLN A 103 2.185 12.358 -8.183 1.00 0.00 C ATOM 1582 CG GLN A 103 0.800 11.857 -7.764 1.00 0.00 C ATOM 1583 CD GLN A 103 0.010 12.977 -7.093 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -0.433 13.906 -7.738 1.00 0.00 O ATOM 1585 NE2 GLN A 103 -0.183 12.915 -5.807 1.00 0.00 N ATOM 0 H GLN A 103 3.207 10.238 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 103 3.973 13.029 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.101 13.361 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.585 11.717 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.258 11.494 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.903 11.015 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.192 12.132 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.709 13.650 -5.334 1.00 0.00 H new ATOM 1594 N LYS A 104 2.065 11.972 -4.885 1.00 0.00 N ATOM 1595 CA LYS A 104 1.466 12.370 -3.580 1.00 0.00 C ATOM 1596 C LYS A 104 2.620 12.668 -2.606 1.00 0.00 C ATOM 1597 O LYS A 104 2.494 13.497 -1.725 1.00 0.00 O ATOM 1598 CB LYS A 104 0.542 11.227 -3.061 1.00 0.00 C ATOM 1599 CG LYS A 104 0.929 10.745 -1.651 1.00 0.00 C ATOM 1600 CD LYS A 104 -0.128 9.761 -1.132 1.00 0.00 C ATOM 1601 CE LYS A 104 -0.063 9.681 0.393 1.00 0.00 C ATOM 1602 NZ LYS A 104 1.355 9.784 0.844 1.00 0.00 N ATOM 0 H LYS A 104 2.107 10.967 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 104 0.848 13.262 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.490 11.576 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.587 10.386 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.907 10.263 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.010 11.596 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.121 10.082 -1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.039 8.774 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.654 10.484 0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.496 8.741 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.409 9.594 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.934 9.088 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.712 10.741 0.651 1.00 0.00 H new ATOM 1616 N TYR A 105 3.744 11.999 -2.757 1.00 0.00 N ATOM 1617 CA TYR A 105 4.899 12.247 -1.840 1.00 0.00 C ATOM 1618 C TYR A 105 5.836 13.270 -2.492 1.00 0.00 C ATOM 1619 O TYR A 105 6.918 13.535 -2.009 1.00 0.00 O ATOM 1620 CB TYR A 105 5.591 10.887 -1.511 1.00 0.00 C ATOM 1621 CG TYR A 105 7.090 10.909 -1.779 1.00 0.00 C ATOM 1622 CD1 TYR A 105 7.558 11.149 -3.071 1.00 0.00 C ATOM 1623 CD2 TYR A 105 8.000 10.670 -0.740 1.00 0.00 C ATOM 1624 CE1 TYR A 105 8.934 11.156 -3.334 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.376 10.679 -0.999 1.00 0.00 C ATOM 1626 CZ TYR A 105 9.843 10.922 -2.296 1.00 0.00 C ATOM 1627 OH TYR A 105 11.199 10.927 -2.552 1.00 0.00 O ATOM 0 H TYR A 105 3.907 11.294 -3.476 1.00 0.00 H new ATOM 0 HA TYR A 105 4.575 12.671 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.417 10.640 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.132 10.097 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.857 11.330 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.640 10.479 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.293 11.342 -4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.077 10.498 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 105 11.689 10.749 -1.722 1.00 0.00 H new ATOM 1637 N GLY A 106 5.421 13.844 -3.590 1.00 0.00 N ATOM 1638 CA GLY A 106 6.280 14.851 -4.279 1.00 0.00 C ATOM 1639 C GLY A 106 6.084 16.220 -3.627 1.00 0.00 C ATOM 1640 O GLY A 106 5.518 17.087 -4.272 1.00 0.00 O ATOM 1641 OXT GLY A 106 6.505 16.379 -2.493 1.00 0.00 O ATOM 0 H GLY A 106 4.524 13.659 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.327 14.554 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.024 14.900 -5.337 1.00 0.00 H new