USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 932 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 102 GLN : amide:sc= 0.756 K(o=0.71,f=0) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.041 X(o=0.71,f=0.8) USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot -54:sc= 1.27 USER MOD Set 3.2: A 81 LYS NZ :NH3+ -101:sc=-0.00762 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0981 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.963 X(o=-0.96,f=-0.96) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 72:sc= 0.656 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 175:sc= -0.834 (180deg=-0.886) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.765 K(o=0.76,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0323) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 40 GLN : amide:sc= -2.29 K(o=-2.3,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.991 USER MOD Single : A 46 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0702 (180deg=-0.49) USER MOD Single : A 54 HIS : no HE2:sc= 0.795 K(o=0.79,f=-3.3!) USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.795 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0.289 (180deg=0.0771) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : A 80 SER OG : rot -170:sc= 0.115 USER MOD Single : A 83 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= 0.412 K(o=0.41,f=-2.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= 0.263 (180deg=-0.15) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0.0947 K(o=0.095,f=-2.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.423 -0.964 -1.750 1.00 1.25 N ATOM 2 CA GLY A 1 -22.436 -2.269 -1.081 1.00 24.31 C ATOM 3 C GLY A 1 -21.178 -3.055 -1.418 1.00 74.41 C ATOM 4 O GLY A 1 -20.158 -2.451 -1.776 1.00 72.14 O ATOM 0 H1 GLY A 1 -22.681 -0.222 -1.069 1.00 1.25 H new ATOM 0 H2 GLY A 1 -21.471 -0.775 -2.124 1.00 1.25 H new ATOM 0 H3 GLY A 1 -23.108 -0.968 -2.533 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -22.507 -2.130 -0.002 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -23.317 -2.833 -1.388 1.00 24.31 H new ATOM 8 N PRO A 2 -21.229 -4.396 -1.312 1.00 21.13 N ATOM 9 CA PRO A 2 -20.119 -5.301 -1.584 1.00 33.10 C ATOM 10 C PRO A 2 -19.888 -5.417 -3.099 1.00 31.23 C ATOM 11 O PRO A 2 -20.175 -6.440 -3.721 1.00 32.32 O ATOM 12 CB PRO A 2 -20.516 -6.617 -0.903 1.00 20.42 C ATOM 13 CG PRO A 2 -22.039 -6.627 -1.032 1.00 53.34 C ATOM 14 CD PRO A 2 -22.401 -5.149 -0.892 1.00 51.34 C ATOM 0 HA PRO A 2 -19.161 -4.957 -1.193 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -20.064 -7.478 -1.395 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -20.199 -6.643 0.140 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -22.361 -7.033 -1.991 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -22.507 -7.233 -0.256 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -23.264 -4.901 -1.510 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -22.667 -4.910 0.138 1.00 51.34 H new ATOM 22 N LEU A 3 -19.386 -4.336 -3.696 1.00 33.52 N ATOM 23 CA LEU A 3 -18.985 -4.257 -5.094 1.00 53.12 C ATOM 24 C LEU A 3 -17.857 -5.251 -5.337 1.00 21.41 C ATOM 25 O LEU A 3 -16.965 -5.373 -4.492 1.00 21.53 O ATOM 26 CB LEU A 3 -18.491 -2.837 -5.402 1.00 51.24 C ATOM 27 CG LEU A 3 -19.617 -1.790 -5.447 1.00 72.34 C ATOM 28 CD1 LEU A 3 -19.004 -0.398 -5.267 1.00 44.30 C ATOM 29 CD2 LEU A 3 -20.392 -1.858 -6.766 1.00 70.30 C ATOM 0 H LEU A 3 -19.243 -3.458 -3.196 1.00 33.52 H new ATOM 0 HA LEU A 3 -19.832 -4.492 -5.739 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -17.763 -2.543 -4.646 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -17.972 -2.842 -6.360 1.00 51.24 H new ATOM 0 HG LEU A 3 -20.322 -1.997 -4.642 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -19.793 0.354 -5.297 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -18.491 -0.348 -4.306 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -18.291 -0.208 -6.069 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -21.180 -1.105 -6.764 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -19.713 -1.670 -7.597 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -20.836 -2.847 -6.877 1.00 70.30 H new ATOM 41 N GLY A 4 -17.878 -5.899 -6.504 1.00 55.33 N ATOM 42 CA GLY A 4 -16.984 -6.974 -6.909 1.00 41.35 C ATOM 43 C GLY A 4 -15.527 -6.565 -6.772 1.00 40.13 C ATOM 44 O GLY A 4 -14.961 -5.938 -7.668 1.00 43.23 O ATOM 0 H GLY A 4 -18.559 -5.671 -7.228 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -17.174 -7.857 -6.299 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -17.190 -7.251 -7.943 1.00 41.35 H new ATOM 48 N SER A 5 -14.922 -6.867 -5.626 1.00 42.54 N ATOM 49 CA SER A 5 -13.544 -6.521 -5.324 1.00 3.44 C ATOM 50 C SER A 5 -13.031 -7.470 -4.249 1.00 4.11 C ATOM 51 O SER A 5 -12.263 -8.381 -4.553 1.00 1.13 O ATOM 52 CB SER A 5 -13.440 -5.025 -4.975 1.00 3.10 C ATOM 53 OG SER A 5 -14.386 -4.575 -4.013 1.00 33.13 O ATOM 0 H SER A 5 -15.388 -7.368 -4.870 1.00 42.54 H new ATOM 0 HA SER A 5 -12.894 -6.653 -6.189 1.00 3.44 H new ATOM 0 HB2 SER A 5 -12.436 -4.821 -4.601 1.00 3.10 H new ATOM 0 HB3 SER A 5 -13.565 -4.443 -5.888 1.00 3.10 H new ATOM 0 HG SER A 5 -15.290 -4.817 -4.305 1.00 33.13 H new ATOM 59 N LEU A 6 -13.506 -7.306 -3.016 1.00 13.12 N ATOM 60 CA LEU A 6 -13.054 -8.052 -1.852 1.00 4.11 C ATOM 61 C LEU A 6 -14.286 -8.683 -1.230 1.00 45.43 C ATOM 62 O LEU A 6 -15.220 -7.959 -0.880 1.00 60.30 O ATOM 63 CB LEU A 6 -12.361 -7.114 -0.843 1.00 72.24 C ATOM 64 CG LEU A 6 -11.194 -6.301 -1.436 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.705 -5.278 -0.414 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.020 -7.179 -1.865 1.00 61.12 C ATOM 0 H LEU A 6 -14.237 -6.630 -2.797 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.328 -8.813 -2.137 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.101 -6.424 -0.438 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -11.988 -7.708 -0.008 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.576 -5.803 -2.327 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.880 -4.706 -0.838 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.521 -4.602 -0.157 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.365 -5.794 0.484 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.228 -6.552 -2.275 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -9.640 -7.726 -1.002 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.353 -7.886 -2.625 1.00 61.12 H new ATOM 78 N ASP A 7 -14.293 -10.011 -1.121 1.00 75.13 N ATOM 79 CA ASP A 7 -15.358 -10.743 -0.433 1.00 1.34 C ATOM 80 C ASP A 7 -15.411 -10.348 1.031 1.00 50.11 C ATOM 81 O ASP A 7 -14.462 -9.757 1.530 1.00 25.20 O ATOM 82 CB ASP A 7 -15.128 -12.255 -0.518 1.00 22.15 C ATOM 83 CG ASP A 7 -16.415 -12.936 -0.949 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.849 -12.666 -2.094 1.00 12.54 O ATOM 85 OD2 ASP A 7 -16.984 -13.694 -0.142 1.00 3.35 O1- ATOM 0 H ASP A 7 -13.562 -10.610 -1.506 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.298 -10.490 -0.923 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.332 -12.474 -1.229 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.806 -12.640 0.449 1.00 22.15 H new ATOM 90 N GLN A 8 -16.465 -10.731 1.747 1.00 35.03 N ATOM 91 CA GLN A 8 -16.647 -10.344 3.149 1.00 31.00 C ATOM 92 C GLN A 8 -15.447 -10.805 3.977 1.00 15.44 C ATOM 93 O GLN A 8 -14.764 -9.968 4.564 1.00 42.40 O ATOM 94 CB GLN A 8 -17.962 -10.895 3.713 1.00 11.40 C ATOM 95 CG GLN A 8 -19.217 -10.185 3.193 1.00 73.15 C ATOM 96 CD GLN A 8 -19.466 -10.471 1.719 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.800 -11.593 1.347 1.00 73.41 O ATOM 98 NE2 GLN A 8 -19.263 -9.502 0.846 1.00 23.44 N ATOM 0 H GLN A 8 -17.215 -11.315 1.377 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.707 -9.257 3.204 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.032 -11.955 3.471 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.939 -10.817 4.800 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -20.081 -10.504 3.775 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.113 -9.110 3.341 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -18.986 -8.575 1.168 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -19.383 -9.680 -0.151 1.00 23.44 H new ATOM 107 N LYS A 9 -15.129 -12.107 3.928 1.00 54.03 N ATOM 108 CA LYS A 9 -13.949 -12.685 4.577 1.00 31.31 C ATOM 109 C LYS A 9 -12.723 -11.852 4.244 1.00 71.23 C ATOM 110 O LYS A 9 -12.072 -11.304 5.126 1.00 2.24 O ATOM 111 CB LYS A 9 -13.756 -14.148 4.125 1.00 54.31 C ATOM 112 CG LYS A 9 -14.424 -15.106 5.112 1.00 72.00 C ATOM 113 CD LYS A 9 -14.658 -16.509 4.554 1.00 23.34 C ATOM 114 CE LYS A 9 -15.924 -16.514 3.695 1.00 1.24 C ATOM 115 NZ LYS A 9 -16.200 -17.842 3.123 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.693 -12.795 3.429 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.093 -12.679 5.657 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -14.180 -14.287 3.131 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.692 -14.375 4.052 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -13.805 -15.180 6.006 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.381 -14.685 5.421 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.801 -16.822 3.958 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -14.757 -17.224 5.370 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.773 -16.197 4.300 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -15.818 -15.788 2.889 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -17.066 -17.799 2.549 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -15.402 -18.135 2.524 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -16.328 -18.531 3.891 1.00 21.22 H new ATOM 129 N THR A 10 -12.409 -11.769 2.959 1.00 74.25 N ATOM 130 CA THR A 10 -11.224 -11.107 2.457 1.00 13.54 C ATOM 131 C THR A 10 -11.154 -9.630 2.891 1.00 52.52 C ATOM 132 O THR A 10 -10.075 -9.159 3.248 1.00 61.23 O ATOM 133 CB THR A 10 -11.193 -11.373 0.944 1.00 0.01 C ATOM 134 OG1 THR A 10 -10.922 -12.755 0.767 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.112 -10.610 0.186 1.00 21.15 C ATOM 0 H THR A 10 -12.989 -12.172 2.223 1.00 74.25 H new ATOM 0 HA THR A 10 -10.307 -11.506 2.891 1.00 13.54 H new ATOM 0 HB THR A 10 -12.154 -11.045 0.548 1.00 0.01 H new ATOM 0 HG1 THR A 10 -10.896 -12.963 -0.190 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.166 -10.860 -0.874 1.00 21.15 H new ATOM 0 HG22 THR A 10 -10.265 -9.538 0.315 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.132 -10.886 0.575 1.00 21.15 H new ATOM 143 N PHE A 11 -12.270 -8.900 2.904 1.00 2.31 N ATOM 144 CA PHE A 11 -12.380 -7.501 3.287 1.00 54.43 C ATOM 145 C PHE A 11 -12.125 -7.318 4.781 1.00 2.41 C ATOM 146 O PHE A 11 -11.390 -6.404 5.165 1.00 32.02 O ATOM 147 CB PHE A 11 -13.783 -7.014 2.889 1.00 25.32 C ATOM 148 CG PHE A 11 -14.060 -5.529 3.008 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.140 -4.578 2.524 1.00 71.24 C ATOM 150 CD2 PHE A 11 -15.282 -5.092 3.554 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.431 -3.205 2.608 1.00 72.32 C ATOM 152 CE2 PHE A 11 -15.575 -3.720 3.622 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.646 -2.772 3.163 1.00 65.24 C ATOM 0 H PHE A 11 -13.169 -9.296 2.631 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.624 -6.908 2.772 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -13.963 -7.309 1.855 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.511 -7.544 3.503 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.208 -4.905 2.087 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.996 -5.814 3.922 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -12.717 -2.481 2.244 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -16.520 -3.392 4.030 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.865 -1.717 3.236 1.00 65.24 H new ATOM 163 N SER A 12 -12.705 -8.184 5.612 1.00 52.41 N ATOM 164 CA SER A 12 -12.478 -8.207 7.051 1.00 3.30 C ATOM 165 C SER A 12 -11.005 -8.523 7.342 1.00 51.11 C ATOM 166 O SER A 12 -10.354 -7.827 8.125 1.00 3.04 O ATOM 167 CB SER A 12 -13.430 -9.228 7.699 1.00 34.53 C ATOM 168 OG SER A 12 -13.882 -8.756 8.954 1.00 33.32 O ATOM 0 H SER A 12 -13.357 -8.901 5.295 1.00 52.41 H new ATOM 0 HA SER A 12 -12.691 -7.229 7.483 1.00 3.30 H new ATOM 0 HB2 SER A 12 -14.282 -9.407 7.043 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.918 -10.182 7.825 1.00 34.53 H new ATOM 0 HG SER A 12 -14.488 -9.415 9.353 1.00 33.32 H new ATOM 174 N ILE A 13 -10.444 -9.529 6.666 1.00 45.32 N ATOM 175 CA ILE A 13 -9.050 -9.937 6.818 1.00 14.50 C ATOM 176 C ILE A 13 -8.118 -8.796 6.387 1.00 34.12 C ATOM 177 O ILE A 13 -7.092 -8.583 7.026 1.00 34.35 O ATOM 178 CB ILE A 13 -8.798 -11.260 6.056 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.595 -12.424 6.691 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.310 -11.658 6.044 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.806 -13.585 5.713 1.00 3.22 C ATOM 0 H ILE A 13 -10.957 -10.091 5.987 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.829 -10.137 7.866 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.127 -11.082 5.032 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.066 -12.786 7.572 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.564 -12.056 7.030 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.188 -12.593 5.497 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.728 -10.875 5.559 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.960 -11.788 7.068 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.370 -14.377 6.205 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.360 -13.232 4.843 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.838 -13.973 5.394 1.00 3.22 H new ATOM 193 N CYS A 14 -8.441 -8.028 5.338 1.00 42.43 N ATOM 194 CA CYS A 14 -7.622 -6.879 4.962 1.00 71.02 C ATOM 195 C CYS A 14 -7.532 -5.845 6.087 1.00 75.44 C ATOM 196 O CYS A 14 -6.440 -5.327 6.307 1.00 53.24 O ATOM 197 CB CYS A 14 -8.103 -6.228 3.664 1.00 61.45 C ATOM 198 SG CYS A 14 -7.781 -7.315 2.244 1.00 44.54 S ATOM 0 H CYS A 14 -9.255 -8.183 4.743 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.618 -7.265 4.785 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.170 -6.016 3.731 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.596 -5.274 3.520 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.601 -8.323 2.275 1.00 44.54 H new ATOM 204 N LYS A 15 -8.611 -5.580 6.833 1.00 61.20 N ATOM 205 CA LYS A 15 -8.516 -4.736 8.029 1.00 71.41 C ATOM 206 C LYS A 15 -7.622 -5.367 9.097 1.00 64.32 C ATOM 207 O LYS A 15 -6.861 -4.646 9.740 1.00 53.44 O ATOM 208 CB LYS A 15 -9.905 -4.437 8.615 1.00 2.12 C ATOM 209 CG LYS A 15 -10.584 -3.280 7.879 1.00 72.43 C ATOM 210 CD LYS A 15 -11.866 -2.859 8.596 1.00 54.23 C ATOM 211 CE LYS A 15 -12.551 -1.720 7.831 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.792 -1.274 8.498 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.547 -5.932 6.634 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.061 -3.796 7.716 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.529 -5.328 8.549 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -9.810 -4.192 9.673 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -9.902 -2.432 7.817 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.815 -3.579 6.857 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.542 -3.710 8.678 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -11.635 -2.537 9.611 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -11.864 -0.878 7.742 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.782 -2.051 6.818 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -14.224 -0.503 7.949 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.458 -2.070 8.560 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -13.569 -0.934 9.455 1.00 53.52 H new ATOM 226 N GLU A 16 -7.715 -6.681 9.308 1.00 32.01 N ATOM 227 CA GLU A 16 -6.926 -7.373 10.324 1.00 34.41 C ATOM 228 C GLU A 16 -5.441 -7.379 9.973 1.00 35.03 C ATOM 229 O GLU A 16 -4.608 -7.201 10.859 1.00 3.44 O ATOM 230 CB GLU A 16 -7.454 -8.797 10.546 1.00 11.31 C ATOM 231 CG GLU A 16 -8.855 -8.829 11.168 1.00 11.31 C ATOM 232 CD GLU A 16 -8.832 -8.341 12.614 1.00 44.31 C ATOM 233 OE1 GLU A 16 -8.687 -7.120 12.863 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.928 -9.173 13.539 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.338 -7.292 8.780 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.033 -6.824 11.260 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.475 -9.323 9.592 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.763 -9.337 11.193 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.530 -8.205 10.582 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.248 -9.845 11.131 1.00 11.31 H new ATOM 241 N ARG A 17 -5.093 -7.502 8.690 1.00 63.14 N ATOM 242 CA ARG A 17 -3.742 -7.231 8.202 1.00 23.14 C ATOM 243 C ARG A 17 -3.381 -5.781 8.505 1.00 53.13 C ATOM 244 O ARG A 17 -2.425 -5.504 9.227 1.00 22.52 O ATOM 245 CB ARG A 17 -3.645 -7.523 6.689 1.00 51.25 C ATOM 246 CG ARG A 17 -3.103 -8.910 6.321 1.00 12.51 C ATOM 247 CD ARG A 17 -3.962 -10.091 6.784 1.00 23.13 C ATOM 248 NE ARG A 17 -3.677 -10.473 8.175 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.643 -11.223 8.576 1.00 41.23 C ATOM 250 NH1 ARG A 17 -1.742 -11.691 7.723 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.533 -11.527 9.857 1.00 54.34 N ATOM 0 H ARG A 17 -5.743 -7.793 7.960 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.033 -7.885 8.710 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.636 -7.411 6.250 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -3.006 -6.768 6.231 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.994 -8.964 5.238 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.106 -9.018 6.748 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -5.016 -9.831 6.689 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -3.785 -10.945 6.131 1.00 23.13 H new ATOM 0 HE ARG A 17 -4.320 -10.139 8.893 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -1.825 -11.482 6.728 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -0.966 -12.260 8.062 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -3.229 -11.191 10.522 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.752 -12.097 10.181 1.00 54.34 H new ATOM 265 N MET A 18 -4.115 -4.842 7.916 1.00 71.35 N ATOM 266 CA MET A 18 -3.779 -3.432 7.913 1.00 21.12 C ATOM 267 C MET A 18 -4.259 -2.770 9.202 1.00 10.24 C ATOM 268 O MET A 18 -5.072 -1.845 9.164 1.00 60.01 O ATOM 269 CB MET A 18 -4.355 -2.753 6.659 1.00 35.41 C ATOM 270 CG MET A 18 -3.836 -3.372 5.356 1.00 63.51 C ATOM 271 SD MET A 18 -2.046 -3.255 5.113 1.00 62.02 S ATOM 272 CE MET A 18 -1.956 -1.748 4.126 1.00 72.55 C ATOM 0 H MET A 18 -4.980 -5.051 7.417 1.00 71.35 H new ATOM 0 HA MET A 18 -2.696 -3.317 7.876 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.443 -2.823 6.681 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.103 -1.693 6.678 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.123 -4.423 5.331 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.334 -2.886 4.517 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.912 -1.482 3.963 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.443 -1.913 3.165 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.459 -0.937 4.653 1.00 72.55 H new ATOM 282 N ARG A 19 -3.737 -3.207 10.349 1.00 70.53 N ATOM 283 CA ARG A 19 -3.924 -2.543 11.635 1.00 32.31 C ATOM 284 C ARG A 19 -2.806 -1.505 11.833 1.00 1.35 C ATOM 285 O ARG A 19 -3.118 -0.321 11.964 1.00 33.22 O ATOM 286 CB ARG A 19 -4.004 -3.571 12.781 1.00 55.31 C ATOM 287 CG ARG A 19 -5.330 -4.351 12.854 1.00 70.22 C ATOM 288 CD ARG A 19 -5.284 -5.236 14.106 1.00 11.33 C ATOM 289 NE ARG A 19 -6.444 -6.126 14.304 1.00 22.22 N ATOM 290 CZ ARG A 19 -6.583 -6.921 15.376 1.00 44.22 C ATOM 291 NH1 ARG A 19 -5.687 -6.892 16.359 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -7.623 -7.732 15.499 1.00 44.53 N ATOM 0 H ARG A 19 -3.162 -4.048 10.409 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.876 -2.013 11.646 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.185 -4.282 12.671 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.851 -3.053 13.727 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -6.175 -3.664 12.902 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.465 -4.960 11.960 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -4.383 -5.848 14.063 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -5.190 -4.592 14.980 1.00 11.33 H new ATOM 0 HE ARG A 19 -7.175 -6.137 13.592 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -4.887 -6.262 16.301 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -5.800 -7.500 17.170 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -8.337 -7.760 14.771 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -7.710 -8.328 16.322 1.00 44.53 H new ATOM 306 N PRO A 20 -1.511 -1.878 11.813 1.00 55.23 N ATOM 307 CA PRO A 20 -0.426 -0.955 12.162 1.00 5.31 C ATOM 308 C PRO A 20 -0.258 0.257 11.230 1.00 5.24 C ATOM 309 O PRO A 20 0.420 1.210 11.609 1.00 22.40 O ATOM 310 CB PRO A 20 0.845 -1.813 12.187 1.00 24.21 C ATOM 311 CG PRO A 20 0.513 -3.028 11.343 1.00 41.52 C ATOM 312 CD PRO A 20 -0.955 -3.226 11.666 1.00 62.13 C ATOM 0 HA PRO A 20 -0.656 -0.491 13.121 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.697 -1.269 11.779 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.108 -2.099 13.205 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.679 -2.848 10.281 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.114 -3.895 11.617 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.461 -3.774 10.871 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -1.081 -3.804 12.582 1.00 62.13 H new ATOM 320 N VAL A 21 -0.870 0.263 10.042 1.00 53.43 N ATOM 321 CA VAL A 21 -0.801 1.364 9.074 1.00 65.33 C ATOM 322 C VAL A 21 -2.132 2.123 8.959 1.00 34.13 C ATOM 323 O VAL A 21 -2.298 2.904 8.023 1.00 65.24 O ATOM 324 CB VAL A 21 -0.232 0.874 7.718 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.273 0.613 7.836 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.928 -0.394 7.201 1.00 41.14 C ATOM 0 H VAL A 21 -1.442 -0.517 9.718 1.00 53.43 H new ATOM 0 HA VAL A 21 -0.094 2.104 9.449 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.422 1.670 6.998 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.659 0.269 6.876 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.781 1.534 8.123 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.452 -0.150 8.593 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.487 -0.689 6.249 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.801 -1.199 7.924 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.991 -0.195 7.062 1.00 41.14 H new ATOM 336 N LYS A 22 -3.080 1.949 9.893 1.00 4.01 N ATOM 337 CA LYS A 22 -4.385 2.629 9.845 1.00 52.15 C ATOM 338 C LYS A 22 -4.243 4.137 9.648 1.00 32.24 C ATOM 339 O LYS A 22 -4.917 4.691 8.781 1.00 35.14 O ATOM 340 CB LYS A 22 -5.215 2.320 11.108 1.00 14.31 C ATOM 341 CG LYS A 22 -5.973 0.992 10.970 1.00 51.24 C ATOM 342 CD LYS A 22 -6.366 0.357 12.310 1.00 4.42 C ATOM 343 CE LYS A 22 -7.399 1.161 13.105 1.00 30.13 C ATOM 344 NZ LYS A 22 -7.613 0.575 14.449 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.965 1.336 10.700 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.915 2.238 8.977 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.557 2.276 11.976 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.924 3.128 11.286 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.874 1.159 10.380 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.354 0.288 10.413 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.763 -0.641 12.124 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -5.470 0.235 12.919 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -7.063 2.193 13.204 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.343 1.184 12.561 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -8.317 1.139 14.966 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -7.956 -0.402 14.351 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -6.716 0.576 14.975 1.00 62.13 H new ATOM 358 N ALA A 23 -3.342 4.793 10.386 1.00 3.10 N ATOM 359 CA ALA A 23 -3.084 6.214 10.193 1.00 60.23 C ATOM 360 C ALA A 23 -2.662 6.503 8.760 1.00 22.25 C ATOM 361 O ALA A 23 -3.219 7.411 8.162 1.00 61.41 O ATOM 362 CB ALA A 23 -2.016 6.731 11.151 1.00 13.54 C ATOM 0 H ALA A 23 -2.782 4.359 11.120 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.018 6.735 10.404 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.853 7.794 10.975 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.345 6.580 12.179 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.085 6.189 10.985 1.00 13.54 H new ATOM 368 N ALA A 24 -1.710 5.751 8.203 1.00 33.30 N ATOM 369 CA ALA A 24 -1.208 6.011 6.861 1.00 54.32 C ATOM 370 C ALA A 24 -2.333 5.887 5.829 1.00 25.33 C ATOM 371 O ALA A 24 -2.405 6.716 4.930 1.00 41.25 O ATOM 372 CB ALA A 24 -0.023 5.094 6.549 1.00 1.31 C ATOM 0 H ALA A 24 -1.273 4.955 8.667 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.844 7.037 6.808 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.341 5.300 5.543 1.00 1.31 H new ATOM 0 HB2 ALA A 24 0.776 5.274 7.268 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.341 4.053 6.614 1.00 1.31 H new ATOM 378 N LEU A 25 -3.242 4.916 5.981 1.00 62.25 N ATOM 379 CA LEU A 25 -4.414 4.791 5.132 1.00 63.42 C ATOM 380 C LEU A 25 -5.297 6.035 5.243 1.00 64.02 C ATOM 381 O LEU A 25 -5.712 6.581 4.224 1.00 34.33 O ATOM 382 CB LEU A 25 -5.199 3.534 5.524 1.00 1.32 C ATOM 383 CG LEU A 25 -4.473 2.193 5.321 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.399 1.046 5.749 1.00 2.21 C ATOM 385 CD2 LEU A 25 -4.043 1.958 3.873 1.00 60.44 C ATOM 0 H LEU A 25 -3.177 4.197 6.701 1.00 62.25 H new ATOM 0 HA LEU A 25 -4.093 4.701 4.094 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -5.478 3.617 6.574 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -6.124 3.514 4.949 1.00 1.32 H new ATOM 0 HG LEU A 25 -3.570 2.226 5.931 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -4.888 0.094 5.607 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -5.662 1.163 6.800 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.306 1.065 5.144 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -3.537 0.996 3.795 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.922 1.959 3.228 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -3.364 2.752 3.562 1.00 60.44 H new ATOM 397 N LYS A 26 -5.569 6.520 6.463 1.00 54.00 N ATOM 398 CA LYS A 26 -6.310 7.769 6.644 1.00 74.52 C ATOM 399 C LYS A 26 -5.603 8.934 5.946 1.00 13.22 C ATOM 400 O LYS A 26 -6.265 9.741 5.305 1.00 65.43 O ATOM 401 CB LYS A 26 -6.499 8.113 8.129 1.00 21.25 C ATOM 402 CG LYS A 26 -7.703 7.429 8.799 1.00 45.03 C ATOM 403 CD LYS A 26 -8.357 8.377 9.819 1.00 54.44 C ATOM 404 CE LYS A 26 -9.143 9.456 9.058 1.00 30.32 C ATOM 405 NZ LYS A 26 -9.474 10.648 9.863 1.00 3.34 N1+ ATOM 0 H LYS A 26 -5.287 6.067 7.332 1.00 54.00 H new ATOM 0 HA LYS A 26 -7.291 7.616 6.194 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.594 7.837 8.670 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.611 9.193 8.226 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.432 7.139 8.043 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -7.380 6.515 9.297 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.022 7.820 10.479 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -7.596 8.838 10.448 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.562 9.768 8.190 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.067 9.018 8.682 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.003 11.326 9.278 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.056 10.366 10.678 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -8.597 11.093 10.201 1.00 3.34 H new ATOM 419 N GLN A 27 -4.282 9.042 6.088 1.00 44.31 N ATOM 420 CA GLN A 27 -3.491 10.110 5.485 1.00 45.20 C ATOM 421 C GLN A 27 -3.545 10.040 3.955 1.00 75.11 C ATOM 422 O GLN A 27 -3.380 11.073 3.303 1.00 3.23 O ATOM 423 CB GLN A 27 -2.020 10.032 5.942 1.00 63.33 C ATOM 424 CG GLN A 27 -1.758 10.220 7.452 1.00 62.13 C ATOM 425 CD GLN A 27 -1.837 11.663 7.939 1.00 71.01 C ATOM 426 OE1 GLN A 27 -2.660 12.453 7.488 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.019 12.061 8.904 1.00 1.20 N ATOM 0 H GLN A 27 -3.726 8.382 6.632 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.921 11.056 5.815 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.621 9.062 5.644 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.454 10.790 5.400 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.480 9.623 8.009 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.769 9.825 7.687 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.330 11.414 9.288 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.079 13.014 9.262 1.00 1.20 H new ATOM 436 N LEU A 28 -3.742 8.855 3.372 1.00 32.11 N ATOM 437 CA LEU A 28 -3.797 8.689 1.928 1.00 1.43 C ATOM 438 C LEU A 28 -5.167 9.038 1.351 1.00 13.42 C ATOM 439 O LEU A 28 -5.237 9.406 0.177 1.00 2.11 O ATOM 440 CB LEU A 28 -3.383 7.269 1.520 1.00 33.02 C ATOM 441 CG LEU A 28 -2.061 7.292 0.739 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.869 7.496 1.686 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.923 6.005 -0.071 1.00 62.12 C ATOM 0 H LEU A 28 -3.867 7.987 3.893 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.083 9.395 1.505 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.275 6.647 2.409 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -4.165 6.819 0.908 1.00 33.02 H new ATOM 0 HG LEU A 28 -2.067 8.135 0.048 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.056 7.509 1.109 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.981 8.444 2.213 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -0.835 6.681 2.409 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.984 6.023 -0.625 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.931 5.148 0.603 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.755 5.924 -0.770 1.00 62.12 H new ATOM 455 N ASP A 29 -6.229 8.965 2.149 1.00 4.35 N ATOM 456 CA ASP A 29 -7.523 9.570 1.834 1.00 23.20 C ATOM 457 C ASP A 29 -7.402 11.085 2.007 1.00 70.54 C ATOM 458 O ASP A 29 -7.634 11.844 1.068 1.00 54.23 O ATOM 459 CB ASP A 29 -8.604 8.967 2.750 1.00 44.14 C ATOM 460 CG ASP A 29 -10.001 9.576 2.617 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.397 10.078 1.543 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.747 9.500 3.625 1.00 42.44 O ATOM 0 H ASP A 29 -6.216 8.478 3.045 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.815 9.363 0.804 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.673 7.898 2.546 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -8.278 9.074 3.785 1.00 44.14 H new ATOM 467 N ARG A 30 -7.000 11.535 3.202 1.00 1.15 N ATOM 468 CA ARG A 30 -7.084 12.927 3.644 1.00 60.23 C ATOM 469 C ARG A 30 -5.781 13.328 4.334 1.00 21.12 C ATOM 470 O ARG A 30 -5.693 13.195 5.560 1.00 42.23 O ATOM 471 CB ARG A 30 -8.295 13.102 4.573 1.00 12.30 C ATOM 472 CG ARG A 30 -9.609 12.956 3.800 1.00 32.22 C ATOM 473 CD ARG A 30 -10.792 12.739 4.739 1.00 61.42 C ATOM 474 NE ARG A 30 -11.286 13.993 5.319 1.00 74.33 N ATOM 475 CZ ARG A 30 -12.057 14.876 4.674 1.00 54.25 C ATOM 476 NH1 ARG A 30 -12.352 14.723 3.383 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -12.530 15.909 5.353 1.00 42.22 N ATOM 0 H ARG A 30 -6.595 10.919 3.907 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.223 13.583 2.784 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.255 12.361 5.371 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.255 14.083 5.047 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.780 13.849 3.199 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.534 12.117 3.109 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -11.600 12.252 4.194 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.496 12.063 5.541 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.023 14.206 6.281 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -11.988 13.921 2.868 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -12.942 15.408 2.910 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -12.304 16.016 6.342 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -13.120 16.598 4.887 1.00 42.22 H new ATOM 491 N PRO A 31 -4.754 13.774 3.595 1.00 42.22 N ATOM 492 CA PRO A 31 -3.535 14.296 4.201 1.00 54.35 C ATOM 493 C PRO A 31 -3.841 15.619 4.911 1.00 4.11 C ATOM 494 O PRO A 31 -4.883 16.231 4.662 1.00 74.21 O ATOM 495 CB PRO A 31 -2.550 14.466 3.041 1.00 32.13 C ATOM 496 CG PRO A 31 -3.453 14.709 1.832 1.00 42.02 C ATOM 497 CD PRO A 31 -4.729 13.931 2.151 1.00 44.54 C ATOM 0 HA PRO A 31 -3.115 13.637 4.960 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.873 15.303 3.210 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -1.932 13.578 2.907 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.658 15.771 1.696 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -2.990 14.353 0.912 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.611 14.468 1.802 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.729 12.961 1.653 1.00 44.54 H new ATOM 505 N GLU A 32 -2.944 16.074 5.784 1.00 1.13 N ATOM 506 CA GLU A 32 -2.923 17.449 6.297 1.00 30.44 C ATOM 507 C GLU A 32 -1.993 18.281 5.402 1.00 4.33 C ATOM 508 O GLU A 32 -1.658 17.832 4.305 1.00 30.13 O ATOM 509 CB GLU A 32 -2.536 17.449 7.787 1.00 33.11 C ATOM 510 CG GLU A 32 -1.066 17.101 8.072 1.00 14.44 C ATOM 511 CD GLU A 32 -0.936 16.114 9.236 1.00 31.31 C ATOM 512 OE1 GLU A 32 -0.964 16.562 10.410 1.00 41.22 O ATOM 513 OE2 GLU A 32 -0.838 14.892 8.987 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.198 15.491 6.163 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.909 17.911 6.255 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -2.749 18.434 8.203 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -3.172 16.737 8.313 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -0.613 16.672 7.178 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -0.514 18.012 8.303 1.00 14.44 H new ATOM 520 N LYS A 33 -1.588 19.491 5.815 1.00 52.24 N ATOM 521 CA LYS A 33 -0.631 20.308 5.063 1.00 32.14 C ATOM 522 C LYS A 33 0.299 21.156 5.928 1.00 2.41 C ATOM 523 O LYS A 33 1.196 21.819 5.407 1.00 0.40 O ATOM 524 CB LYS A 33 -1.376 21.110 3.983 1.00 62.42 C ATOM 525 CG LYS A 33 -2.132 22.370 4.442 1.00 63.41 C ATOM 526 CD LYS A 33 -1.324 23.660 4.215 1.00 51.51 C ATOM 527 CE LYS A 33 -2.150 24.915 4.512 1.00 43.22 C ATOM 528 NZ LYS A 33 -3.189 25.159 3.489 1.00 43.21 N1+ ATOM 0 H LYS A 33 -1.915 19.927 6.677 1.00 52.24 H new ATOM 0 HA LYS A 33 0.062 19.627 4.569 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -0.653 21.407 3.223 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -2.091 20.444 3.500 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -3.077 22.438 3.904 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -2.374 22.279 5.501 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -0.439 23.650 4.851 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -0.975 23.692 3.183 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -2.622 24.813 5.489 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -1.487 25.779 4.567 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -3.653 26.070 3.676 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -2.750 25.182 2.547 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -3.896 24.397 3.523 1.00 43.21 H new ATOM 542 N GLY A 34 0.105 21.128 7.242 1.00 62.23 N ATOM 543 CA GLY A 34 0.608 22.106 8.200 1.00 43.33 C ATOM 544 C GLY A 34 2.065 21.919 8.591 1.00 1.12 C ATOM 545 O GLY A 34 2.430 22.202 9.730 1.00 35.04 O ATOM 0 H GLY A 34 -0.434 20.387 7.690 1.00 62.23 H new ATOM 0 HA2 GLY A 34 0.484 23.104 7.779 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.005 22.061 9.100 1.00 43.33 H new ATOM 549 N LEU A 35 2.903 21.428 7.683 1.00 20.30 N ATOM 550 CA LEU A 35 4.323 21.214 7.879 1.00 75.01 C ATOM 551 C LEU A 35 5.039 22.025 6.809 1.00 50.32 C ATOM 552 O LEU A 35 4.431 22.861 6.128 1.00 62.14 O ATOM 553 CB LEU A 35 4.642 19.714 7.805 1.00 30.55 C ATOM 554 CG LEU A 35 3.909 18.878 8.871 1.00 75.10 C ATOM 555 CD1 LEU A 35 4.100 17.406 8.539 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.449 19.154 10.275 1.00 10.10 C ATOM 0 H LEU A 35 2.591 21.158 6.750 1.00 20.30 H new ATOM 0 HA LEU A 35 4.657 21.543 8.863 1.00 75.01 H new ATOM 0 HB2 LEU A 35 4.375 19.342 6.816 1.00 30.55 H new ATOM 0 HB3 LEU A 35 5.717 19.573 7.919 1.00 30.55 H new ATOM 0 HG LEU A 35 2.853 19.149 8.863 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.588 16.796 9.283 1.00 74.41 H new ATOM 0 HD12 LEU A 35 3.686 17.199 7.552 1.00 74.41 H new ATOM 0 HD13 LEU A 35 5.163 17.167 8.543 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.907 18.546 10.999 1.00 10.10 H new ATOM 0 HD22 LEU A 35 5.509 18.904 10.313 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.316 20.209 10.515 1.00 10.10 H new ATOM 568 N SER A 36 6.341 21.836 6.682 1.00 13.30 N ATOM 569 CA SER A 36 7.113 22.552 5.691 1.00 21.20 C ATOM 570 C SER A 36 6.681 22.136 4.292 1.00 65.31 C ATOM 571 O SER A 36 6.084 21.075 4.086 1.00 60.15 O ATOM 572 CB SER A 36 8.618 22.342 5.858 1.00 50.44 C ATOM 573 OG SER A 36 8.969 22.027 7.190 1.00 62.23 O ATOM 0 H SER A 36 6.883 21.190 7.256 1.00 13.30 H new ATOM 0 HA SER A 36 6.917 23.614 5.837 1.00 21.20 H new ATOM 0 HB2 SER A 36 8.946 21.539 5.198 1.00 50.44 H new ATOM 0 HB3 SER A 36 9.145 23.244 5.549 1.00 50.44 H new ATOM 0 HG SER A 36 9.939 21.899 7.251 1.00 62.23 H new ATOM 579 N GLU A 37 7.072 22.944 3.316 1.00 43.12 N ATOM 580 CA GLU A 37 6.779 22.705 1.915 1.00 23.33 C ATOM 581 C GLU A 37 7.450 21.396 1.502 1.00 0.42 C ATOM 582 O GLU A 37 6.823 20.519 0.906 1.00 53.05 O ATOM 583 CB GLU A 37 7.296 23.911 1.132 1.00 4.24 C ATOM 584 CG GLU A 37 6.695 24.085 -0.260 1.00 51.34 C ATOM 585 CD GLU A 37 7.227 25.399 -0.827 1.00 10.03 C ATOM 586 OE1 GLU A 37 8.460 25.504 -1.009 1.00 20.55 O ATOM 587 OE2 GLU A 37 6.461 26.385 -0.948 1.00 32.52 O1- ATOM 0 H GLU A 37 7.609 23.795 3.481 1.00 43.12 H new ATOM 0 HA GLU A 37 5.713 22.599 1.716 1.00 23.33 H new ATOM 0 HB2 GLU A 37 7.098 24.813 1.711 1.00 4.24 H new ATOM 0 HB3 GLU A 37 8.378 23.825 1.035 1.00 4.24 H new ATOM 0 HG2 GLU A 37 6.970 23.250 -0.904 1.00 51.34 H new ATOM 0 HG3 GLU A 37 5.606 24.102 -0.208 1.00 51.34 H new ATOM 594 N ARG A 38 8.712 21.230 1.905 1.00 21.15 N ATOM 595 CA ARG A 38 9.486 20.026 1.649 1.00 61.30 C ATOM 596 C ARG A 38 9.011 18.832 2.479 1.00 25.54 C ATOM 597 O ARG A 38 9.258 17.684 2.109 1.00 2.34 O ATOM 598 CB ARG A 38 10.956 20.323 1.978 1.00 12.35 C ATOM 599 CG ARG A 38 11.853 19.501 1.057 1.00 63.40 C ATOM 600 CD ARG A 38 13.315 19.488 1.501 1.00 71.42 C ATOM 601 NE ARG A 38 14.152 18.913 0.442 1.00 64.41 N ATOM 602 CZ ARG A 38 14.098 17.670 -0.042 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.376 16.729 0.568 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 14.748 17.395 -1.168 1.00 51.23 N ATOM 0 H ARG A 38 9.226 21.941 2.425 1.00 21.15 H new ATOM 0 HA ARG A 38 9.357 19.755 0.601 1.00 61.30 H new ATOM 0 HB2 ARG A 38 11.162 21.386 1.852 1.00 12.35 H new ATOM 0 HB3 ARG A 38 11.164 20.080 3.020 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.482 18.477 1.018 1.00 63.40 H new ATOM 0 HG3 ARG A 38 11.790 19.902 0.045 1.00 63.40 H new ATOM 0 HD2 ARG A 38 13.645 20.502 1.727 1.00 71.42 H new ATOM 0 HD3 ARG A 38 13.421 18.907 2.417 1.00 71.42 H new ATOM 0 HE ARG A 38 14.852 19.531 0.031 1.00 64.41 H new ATOM 0 HH11 ARG A 38 12.856 16.955 1.416 1.00 14.30 H new ATOM 0 HH12 ARG A 38 13.344 15.783 0.187 1.00 14.30 H new ATOM 0 HH21 ARG A 38 15.275 18.127 -1.645 1.00 51.23 H new ATOM 0 HH22 ARG A 38 14.720 16.452 -1.556 1.00 51.23 H new ATOM 618 N GLU A 39 8.424 19.071 3.650 1.00 34.32 N ATOM 619 CA GLU A 39 8.165 18.000 4.604 1.00 22.23 C ATOM 620 C GLU A 39 6.889 17.264 4.252 1.00 4.10 C ATOM 621 O GLU A 39 6.814 16.068 4.508 1.00 34.05 O ATOM 622 CB GLU A 39 8.111 18.536 6.040 1.00 71.25 C ATOM 623 CG GLU A 39 9.491 19.006 6.516 1.00 31.04 C ATOM 624 CD GLU A 39 10.579 17.944 6.349 1.00 75.22 C ATOM 625 OE1 GLU A 39 10.436 16.817 6.869 1.00 73.33 O ATOM 626 OE2 GLU A 39 11.562 18.242 5.625 1.00 14.54 O1- ATOM 0 H GLU A 39 8.120 19.995 3.958 1.00 34.32 H new ATOM 0 HA GLU A 39 8.992 17.293 4.546 1.00 22.23 H new ATOM 0 HB2 GLU A 39 7.405 19.364 6.094 1.00 71.25 H new ATOM 0 HB3 GLU A 39 7.741 17.757 6.707 1.00 71.25 H new ATOM 0 HG2 GLU A 39 9.775 19.899 5.960 1.00 31.04 H new ATOM 0 HG3 GLU A 39 9.428 19.291 7.566 1.00 31.04 H new ATOM 633 N GLN A 40 5.912 17.937 3.642 1.00 75.44 N ATOM 634 CA GLN A 40 4.720 17.278 3.109 1.00 33.21 C ATOM 635 C GLN A 40 5.088 16.230 2.055 1.00 45.12 C ATOM 636 O GLN A 40 4.543 15.121 2.050 1.00 73.12 O ATOM 637 CB GLN A 40 3.801 18.347 2.509 1.00 44.22 C ATOM 638 CG GLN A 40 3.011 19.105 3.583 1.00 34.02 C ATOM 639 CD GLN A 40 2.077 18.148 4.316 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.314 17.424 3.684 1.00 24.20 O ATOM 641 NE2 GLN A 40 2.124 18.106 5.634 1.00 2.34 N ATOM 0 H GLN A 40 5.925 18.948 3.504 1.00 75.44 H new ATOM 0 HA GLN A 40 4.206 16.755 3.916 1.00 33.21 H new ATOM 0 HB2 GLN A 40 4.398 19.054 1.933 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.106 17.877 1.814 1.00 44.22 H new ATOM 0 HG2 GLN A 40 3.697 19.570 4.291 1.00 34.02 H new ATOM 0 HG3 GLN A 40 2.435 19.908 3.123 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.765 18.716 6.141 1.00 2.34 H new ATOM 0 HE22 GLN A 40 1.519 17.464 6.146 1.00 2.34 H new ATOM 650 N LEU A 41 6.038 16.578 1.189 1.00 41.12 N ATOM 651 CA LEU A 41 6.549 15.710 0.143 1.00 15.34 C ATOM 652 C LEU A 41 7.090 14.434 0.800 1.00 23.34 C ATOM 653 O LEU A 41 6.724 13.319 0.425 1.00 52.42 O ATOM 654 CB LEU A 41 7.614 16.498 -0.657 1.00 21.03 C ATOM 655 CG LEU A 41 7.795 16.101 -2.134 1.00 0.11 C ATOM 656 CD1 LEU A 41 8.130 14.622 -2.309 1.00 22.31 C ATOM 657 CD2 LEU A 41 6.576 16.456 -2.997 1.00 65.33 C ATOM 0 H LEU A 41 6.482 17.496 1.200 1.00 41.12 H new ATOM 0 HA LEU A 41 5.778 15.402 -0.564 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.357 17.557 -0.617 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.574 16.384 -0.153 1.00 21.03 H new ATOM 0 HG LEU A 41 8.644 16.690 -2.480 1.00 0.11 H new ATOM 0 HD11 LEU A 41 8.246 14.398 -3.369 1.00 22.31 H new ATOM 0 HD12 LEU A 41 9.059 14.395 -1.786 1.00 22.31 H new ATOM 0 HD13 LEU A 41 7.324 14.015 -1.897 1.00 22.31 H new ATOM 0 HD21 LEU A 41 6.760 16.154 -4.028 1.00 65.33 H new ATOM 0 HD22 LEU A 41 5.697 15.935 -2.617 1.00 65.33 H new ATOM 0 HD23 LEU A 41 6.405 17.532 -2.960 1.00 65.33 H new ATOM 669 N GLU A 42 7.925 14.604 1.828 1.00 33.24 N ATOM 670 CA GLU A 42 8.537 13.510 2.565 1.00 33.03 C ATOM 671 C GLU A 42 7.472 12.659 3.268 1.00 40.42 C ATOM 672 O GLU A 42 7.543 11.431 3.208 1.00 21.43 O ATOM 673 CB GLU A 42 9.560 14.089 3.560 1.00 30.51 C ATOM 674 CG GLU A 42 10.713 13.116 3.835 1.00 14.32 C ATOM 675 CD GLU A 42 11.664 13.014 2.645 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.295 14.023 2.265 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 11.867 11.918 2.075 1.00 44.20 O ATOM 0 H GLU A 42 8.196 15.525 2.173 1.00 33.24 H new ATOM 0 HA GLU A 42 9.058 12.847 1.874 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.961 15.023 3.165 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.058 14.329 4.497 1.00 30.51 H new ATOM 0 HG2 GLU A 42 11.265 13.446 4.715 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.310 12.130 4.064 1.00 14.32 H new ATOM 684 N HIS A 43 6.481 13.308 3.891 1.00 44.33 N ATOM 685 CA HIS A 43 5.412 12.680 4.656 1.00 44.01 C ATOM 686 C HIS A 43 4.669 11.693 3.779 1.00 54.41 C ATOM 687 O HIS A 43 4.456 10.548 4.180 1.00 14.03 O ATOM 688 CB HIS A 43 4.440 13.738 5.201 1.00 30.04 C ATOM 689 CG HIS A 43 3.854 13.400 6.541 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.177 14.044 7.710 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.914 12.446 6.822 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.462 13.488 8.695 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.685 12.501 8.206 1.00 71.41 N ATOM 0 H HIS A 43 6.404 14.325 3.871 1.00 44.33 H new ATOM 0 HA HIS A 43 5.851 12.151 5.502 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.962 14.692 5.275 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.629 13.874 4.486 1.00 30.04 H new ATOM 0 HD2 HIS A 43 2.440 11.780 6.116 1.00 25.41 H new ATOM 0 HE1 HIS A 43 3.502 13.787 9.732 1.00 13.25 H new ATOM 0 HE2 HIS A 43 2.051 11.907 8.740 1.00 71.41 H new ATOM 701 N THR A 44 4.289 12.156 2.588 1.00 62.13 N ATOM 702 CA THR A 44 3.585 11.376 1.592 1.00 71.14 C ATOM 703 C THR A 44 4.392 10.112 1.306 1.00 32.51 C ATOM 704 O THR A 44 3.840 9.014 1.346 1.00 73.14 O ATOM 705 CB THR A 44 3.435 12.239 0.330 1.00 22.00 C ATOM 706 OG1 THR A 44 2.890 13.518 0.612 1.00 22.10 O ATOM 707 CG2 THR A 44 2.518 11.581 -0.692 1.00 62.22 C ATOM 0 H THR A 44 4.472 13.114 2.289 1.00 62.13 H new ATOM 0 HA THR A 44 2.594 11.082 1.939 1.00 71.14 H new ATOM 0 HB THR A 44 4.445 12.344 -0.067 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.587 14.095 0.990 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.435 12.220 -1.571 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.931 10.615 -0.983 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.530 11.436 -0.255 1.00 62.22 H new ATOM 715 N ARG A 45 5.696 10.250 1.033 1.00 24.01 N ATOM 716 CA ARG A 45 6.522 9.107 0.678 1.00 72.21 C ATOM 717 C ARG A 45 6.642 8.143 1.838 1.00 64.44 C ATOM 718 O ARG A 45 6.466 6.955 1.599 1.00 71.53 O ATOM 719 CB ARG A 45 7.903 9.528 0.158 1.00 64.22 C ATOM 720 CG ARG A 45 7.851 9.805 -1.347 1.00 11.44 C ATOM 721 CD ARG A 45 7.215 11.161 -1.684 1.00 54.04 C ATOM 722 NE ARG A 45 7.068 11.409 -3.128 1.00 4.24 N ATOM 723 CZ ARG A 45 8.064 11.712 -3.969 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.328 11.733 -3.550 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.799 12.007 -5.239 1.00 0.40 N ATOM 0 H ARG A 45 6.193 11.141 1.053 1.00 24.01 H new ATOM 0 HA ARG A 45 6.021 8.591 -0.141 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.240 10.420 0.686 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.630 8.742 0.364 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.862 9.773 -1.752 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.286 9.013 -1.838 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.233 11.218 -1.214 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.823 11.954 -1.249 1.00 54.04 H new ATOM 0 HE ARG A 45 6.129 11.344 -3.520 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.547 11.516 -2.578 1.00 25.00 H new ATOM 0 HH12 ARG A 45 10.077 11.966 -4.202 1.00 25.00 H new ATOM 0 HH21 ARG A 45 6.835 12.003 -5.573 1.00 0.40 H new ATOM 0 HH22 ARG A 45 8.560 12.238 -5.878 1.00 0.40 H new ATOM 739 N GLN A 46 6.938 8.619 3.045 1.00 54.25 N ATOM 740 CA GLN A 46 7.009 7.785 4.234 1.00 14.35 C ATOM 741 C GLN A 46 5.707 7.007 4.450 1.00 34.32 C ATOM 742 O GLN A 46 5.765 5.796 4.637 1.00 63.33 O ATOM 743 CB GLN A 46 7.415 8.637 5.442 1.00 1.03 C ATOM 744 CG GLN A 46 8.928 8.924 5.414 1.00 71.03 C ATOM 745 CD GLN A 46 9.771 7.676 5.711 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.580 7.228 4.893 1.00 2.51 O ATOM 747 NE2 GLN A 46 9.581 7.076 6.875 1.00 72.22 N ATOM 0 H GLN A 46 7.136 9.604 3.223 1.00 54.25 H new ATOM 0 HA GLN A 46 7.781 7.028 4.098 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.860 9.575 5.436 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.154 8.119 6.365 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.201 9.318 4.435 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.161 9.698 6.145 1.00 71.03 H new ATOM 0 HE21 GLN A 46 8.909 7.457 7.542 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.106 6.233 7.106 1.00 72.22 H new ATOM 756 N CYS A 47 4.539 7.653 4.359 1.00 43.24 N ATOM 757 CA CYS A 47 3.253 6.973 4.378 1.00 44.42 C ATOM 758 C CYS A 47 3.191 5.884 3.299 1.00 2.22 C ATOM 759 O CYS A 47 2.897 4.730 3.620 1.00 63.24 O ATOM 760 CB CYS A 47 2.151 8.031 4.236 1.00 3.33 C ATOM 761 SG CYS A 47 1.734 8.670 5.884 1.00 22.35 S ATOM 0 H CYS A 47 4.466 8.667 4.270 1.00 43.24 H new ATOM 0 HA CYS A 47 3.107 6.450 5.323 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.488 8.843 3.591 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.269 7.596 3.766 1.00 3.33 H new ATOM 0 HG CYS A 47 0.802 9.570 5.777 1.00 22.35 H new ATOM 767 N LEU A 48 3.506 6.237 2.050 1.00 4.13 N ATOM 768 CA LEU A 48 3.492 5.332 0.908 1.00 3.12 C ATOM 769 C LEU A 48 4.317 4.072 1.200 1.00 50.02 C ATOM 770 O LEU A 48 3.822 2.949 1.039 1.00 33.14 O ATOM 771 CB LEU A 48 4.026 6.077 -0.337 1.00 72.14 C ATOM 772 CG LEU A 48 3.482 5.621 -1.698 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.482 4.118 -1.918 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.083 6.186 -1.943 1.00 44.04 C ATOM 0 H LEU A 48 3.785 7.187 1.803 1.00 4.13 H new ATOM 0 HA LEU A 48 2.469 5.009 0.715 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.805 7.138 -0.220 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.111 5.978 -0.354 1.00 72.14 H new ATOM 0 HG LEU A 48 4.185 6.025 -2.427 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.080 3.895 -2.906 1.00 73.51 H new ATOM 0 HD12 LEU A 48 4.502 3.740 -1.847 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.864 3.639 -1.159 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.719 5.849 -2.914 1.00 44.04 H new ATOM 0 HD22 LEU A 48 1.408 5.838 -1.161 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.123 7.275 -1.929 1.00 44.04 H new ATOM 786 N ILE A 49 5.590 4.237 1.582 1.00 4.15 N ATOM 787 CA ILE A 49 6.481 3.117 1.808 1.00 22.35 C ATOM 788 C ILE A 49 6.058 2.277 3.003 1.00 73.31 C ATOM 789 O ILE A 49 6.201 1.061 2.930 1.00 54.42 O ATOM 790 CB ILE A 49 7.984 3.489 1.797 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.511 4.553 2.784 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.367 3.943 0.371 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.565 4.172 4.263 1.00 33.54 C ATOM 0 H ILE A 49 6.019 5.149 1.739 1.00 4.15 H new ATOM 0 HA ILE A 49 6.372 2.472 0.936 1.00 22.35 H new ATOM 0 HB ILE A 49 8.457 2.569 2.140 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.517 4.834 2.471 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.887 5.441 2.687 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.424 4.209 0.345 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.180 3.131 -0.332 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.768 4.810 0.092 1.00 45.11 H new ATOM 0 HD11 ILE A 49 8.954 5.011 4.841 1.00 33.54 H new ATOM 0 HD12 ILE A 49 7.562 3.925 4.612 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.217 3.308 4.393 1.00 33.54 H new ATOM 805 N LYS A 50 5.478 2.861 4.053 1.00 54.03 N ATOM 806 CA LYS A 50 5.051 2.080 5.199 1.00 10.45 C ATOM 807 C LYS A 50 3.881 1.190 4.815 1.00 65.14 C ATOM 808 O LYS A 50 3.868 0.023 5.197 1.00 21.01 O ATOM 809 CB LYS A 50 4.706 2.982 6.393 1.00 64.21 C ATOM 810 CG LYS A 50 5.489 2.537 7.636 1.00 11.34 C ATOM 811 CD LYS A 50 6.873 3.211 7.711 1.00 30.02 C ATOM 812 CE LYS A 50 6.809 4.672 8.190 1.00 53.21 C ATOM 813 NZ LYS A 50 6.205 4.777 9.535 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.298 3.862 4.127 1.00 54.03 H new ATOM 0 HA LYS A 50 5.878 1.443 5.512 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.944 4.019 6.156 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.635 2.939 6.594 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.917 2.779 8.532 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.612 1.454 7.620 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.512 2.641 8.386 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.340 3.178 6.727 1.00 30.02 H new ATOM 0 HE2 LYS A 50 7.814 5.094 8.208 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.227 5.263 7.482 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 6.460 5.691 9.960 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 5.170 4.708 9.457 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 6.559 4.005 10.136 1.00 51.25 H new ATOM 827 N ILE A 51 2.893 1.715 4.086 1.00 24.51 N ATOM 828 CA ILE A 51 1.778 0.912 3.603 1.00 1.44 C ATOM 829 C ILE A 51 2.335 -0.224 2.747 1.00 1.23 C ATOM 830 O ILE A 51 1.955 -1.374 2.946 1.00 42.41 O ATOM 831 CB ILE A 51 0.757 1.788 2.838 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.116 2.834 3.780 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.361 0.936 2.218 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.609 3.953 3.028 1.00 62.13 C ATOM 0 H ILE A 51 2.847 2.698 3.819 1.00 24.51 H new ATOM 0 HA ILE A 51 1.233 0.479 4.441 1.00 1.44 H new ATOM 0 HB ILE A 51 1.305 2.293 2.043 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.589 2.333 4.443 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.891 3.270 4.410 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.060 1.583 1.688 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.072 0.220 1.519 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.889 0.399 3.006 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -1.037 4.655 3.744 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.098 4.477 2.385 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.405 3.525 2.419 1.00 62.13 H new ATOM 846 N GLY A 52 3.201 0.090 1.779 1.00 60.25 N ATOM 847 CA GLY A 52 3.647 -0.885 0.792 1.00 12.12 C ATOM 848 C GLY A 52 4.509 -1.974 1.423 1.00 41.42 C ATOM 849 O GLY A 52 4.405 -3.134 1.025 1.00 1.12 O ATOM 0 H GLY A 52 3.606 1.019 1.662 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.780 -1.340 0.312 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.214 -0.379 0.011 1.00 12.12 H new ATOM 853 N ASP A 53 5.302 -1.610 2.428 1.00 15.43 N ATOM 854 CA ASP A 53 6.052 -2.526 3.272 1.00 23.03 C ATOM 855 C ASP A 53 5.082 -3.470 3.976 1.00 4.51 C ATOM 856 O ASP A 53 5.132 -4.674 3.752 1.00 64.45 O ATOM 857 CB ASP A 53 6.896 -1.705 4.254 1.00 51.04 C ATOM 858 CG ASP A 53 7.692 -2.531 5.256 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.238 -3.586 4.872 1.00 2.34 O ATOM 860 OD2 ASP A 53 7.876 -2.049 6.396 1.00 74.02 O1- ATOM 0 H ASP A 53 5.442 -0.632 2.683 1.00 15.43 H new ATOM 0 HA ASP A 53 6.731 -3.143 2.683 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.588 -1.083 3.685 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.238 -1.031 4.802 1.00 51.04 H new ATOM 865 N HIS A 54 4.129 -2.938 4.746 1.00 4.14 N ATOM 866 CA HIS A 54 3.207 -3.766 5.516 1.00 61.14 C ATOM 867 C HIS A 54 2.319 -4.651 4.633 1.00 71.00 C ATOM 868 O HIS A 54 1.865 -5.699 5.096 1.00 13.33 O ATOM 869 CB HIS A 54 2.354 -2.879 6.423 1.00 31.12 C ATOM 870 CG HIS A 54 3.105 -2.347 7.618 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.968 -1.279 7.623 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.010 -2.806 8.904 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.347 -1.059 8.890 1.00 33.05 C ATOM 874 NE2 HIS A 54 3.786 -1.964 9.708 1.00 52.53 N ATOM 0 H HIS A 54 3.978 -1.935 4.850 1.00 4.14 H new ATOM 0 HA HIS A 54 3.807 -4.444 6.122 1.00 61.14 H new ATOM 0 HB2 HIS A 54 1.970 -2.041 5.842 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.492 -3.449 6.769 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.268 -0.747 6.806 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.441 -3.661 9.237 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.009 -0.267 9.207 1.00 33.05 H new ATOM 882 N ILE A 55 2.063 -4.263 3.380 1.00 14.30 N ATOM 883 CA ILE A 55 1.477 -5.135 2.371 1.00 11.25 C ATOM 884 C ILE A 55 2.460 -6.274 2.078 1.00 40.53 C ATOM 885 O ILE A 55 2.136 -7.444 2.299 1.00 21.05 O ATOM 886 CB ILE A 55 1.061 -4.310 1.135 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.148 -3.418 1.483 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.724 -5.197 -0.073 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.545 -2.456 0.359 1.00 63.25 C ATOM 0 H ILE A 55 2.261 -3.322 3.039 1.00 14.30 H new ATOM 0 HA ILE A 55 0.557 -5.599 2.727 1.00 11.25 H new ATOM 0 HB ILE A 55 1.913 -3.690 0.856 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -1.000 -4.054 1.724 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.083 -2.841 2.379 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.437 -4.569 -0.917 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.597 -5.791 -0.343 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.102 -5.861 0.182 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.402 -1.861 0.675 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.292 -1.795 0.133 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.808 -3.026 -0.532 1.00 63.25 H new ATOM 901 N THR A 56 3.642 -5.942 1.554 1.00 5.22 N ATOM 902 CA THR A 56 4.606 -6.907 1.042 1.00 13.14 C ATOM 903 C THR A 56 4.983 -7.928 2.123 1.00 44.41 C ATOM 904 O THR A 56 5.018 -9.126 1.830 1.00 3.10 O ATOM 905 CB THR A 56 5.819 -6.169 0.443 1.00 23.42 C ATOM 906 OG1 THR A 56 5.373 -5.163 -0.456 1.00 70.12 O ATOM 907 CG2 THR A 56 6.706 -7.124 -0.364 1.00 44.22 C ATOM 0 H THR A 56 3.958 -4.975 1.474 1.00 5.22 H new ATOM 0 HA THR A 56 4.156 -7.483 0.233 1.00 13.14 H new ATOM 0 HB THR A 56 6.382 -5.744 1.274 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.191 -4.338 0.040 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.553 -6.575 -0.774 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.070 -7.920 0.286 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.126 -7.558 -1.179 1.00 44.22 H new ATOM 915 N GLU A 57 5.176 -7.485 3.367 1.00 33.02 N ATOM 916 CA GLU A 57 5.522 -8.369 4.469 1.00 24.11 C ATOM 917 C GLU A 57 4.396 -9.361 4.751 1.00 32.24 C ATOM 918 O GLU A 57 4.645 -10.531 5.035 1.00 3.40 O ATOM 919 CB GLU A 57 5.919 -7.575 5.726 1.00 61.11 C ATOM 920 CG GLU A 57 7.130 -6.636 5.562 1.00 73.54 C ATOM 921 CD GLU A 57 8.432 -7.313 5.133 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.486 -7.987 4.084 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.463 -7.177 5.831 1.00 1.40 O ATOM 0 H GLU A 57 5.096 -6.504 3.633 1.00 33.02 H new ATOM 0 HA GLU A 57 6.397 -8.947 4.172 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.062 -6.982 6.046 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.135 -8.281 6.528 1.00 61.11 H new ATOM 0 HG2 GLU A 57 6.878 -5.872 4.827 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.302 -6.124 6.509 1.00 73.54 H new ATOM 930 N CYS A 58 3.149 -8.922 4.639 1.00 11.34 N ATOM 931 CA CYS A 58 1.990 -9.771 4.824 1.00 0.31 C ATOM 932 C CYS A 58 1.811 -10.804 3.706 1.00 73.23 C ATOM 933 O CYS A 58 1.263 -11.878 3.946 1.00 13.34 O ATOM 934 CB CYS A 58 0.777 -8.855 4.890 1.00 31.54 C ATOM 935 SG CYS A 58 0.505 -8.396 6.626 1.00 43.24 S ATOM 0 H CYS A 58 2.916 -7.955 4.414 1.00 11.34 H new ATOM 0 HA CYS A 58 2.118 -10.349 5.739 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.940 -7.965 4.283 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.102 -9.359 4.488 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.385 -7.451 6.691 1.00 43.24 H new ATOM 941 N LEU A 59 2.189 -10.472 2.472 1.00 64.12 N ATOM 942 CA LEU A 59 2.084 -11.379 1.329 1.00 53.20 C ATOM 943 C LEU A 59 3.261 -12.345 1.239 1.00 72.32 C ATOM 944 O LEU A 59 3.021 -13.450 0.760 1.00 72.00 O ATOM 945 CB LEU A 59 2.019 -10.685 -0.042 1.00 14.43 C ATOM 946 CG LEU A 59 0.843 -9.780 -0.420 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.312 -9.707 0.575 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.401 -8.414 -0.799 1.00 3.53 C ATOM 0 H LEU A 59 2.579 -9.560 2.235 1.00 64.12 H new ATOM 0 HA LEU A 59 1.144 -11.893 1.527 1.00 53.20 H new ATOM 0 HB2 LEU A 59 2.925 -10.086 -0.138 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.073 -11.469 -0.798 1.00 14.43 H new ATOM 0 HG LEU A 59 0.348 -10.244 -1.273 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -1.080 -9.035 0.192 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.736 -10.701 0.713 1.00 71.42 H new ATOM 0 HD13 LEU A 59 0.054 -9.333 1.531 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.582 -7.749 -1.073 1.00 3.53 H new ATOM 0 HD22 LEU A 59 1.941 -7.993 0.049 1.00 3.53 H new ATOM 0 HD23 LEU A 59 2.080 -8.520 -1.645 1.00 3.53 H new ATOM 960 N LYS A 60 4.507 -11.985 1.609 1.00 42.43 N ATOM 961 CA LYS A 60 5.640 -12.913 1.425 1.00 35.12 C ATOM 962 C LYS A 60 5.398 -14.220 2.175 1.00 40.54 C ATOM 963 O LYS A 60 5.870 -15.282 1.766 1.00 41.41 O ATOM 964 CB LYS A 60 6.966 -12.264 1.873 1.00 54.12 C ATOM 965 CG LYS A 60 7.142 -12.240 3.406 1.00 34.15 C ATOM 966 CD LYS A 60 7.888 -11.022 3.930 1.00 11.14 C ATOM 967 CE LYS A 60 9.393 -11.194 4.166 1.00 52.11 C ATOM 968 NZ LYS A 60 9.894 -10.171 5.113 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.750 -11.086 2.025 1.00 42.43 H new ATOM 0 HA LYS A 60 5.718 -13.139 0.362 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.799 -12.808 1.426 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.011 -11.244 1.492 1.00 54.12 H new ATOM 0 HG2 LYS A 60 6.158 -12.278 3.874 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.676 -13.139 3.713 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.744 -10.204 3.225 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.427 -10.717 4.870 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.593 -12.190 4.560 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.926 -11.113 3.219 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.875 -10.394 5.378 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.862 -9.235 4.662 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 9.298 -10.165 5.965 1.00 72.35 H new ATOM 982 N GLU A 61 4.637 -14.101 3.259 1.00 54.21 N ATOM 983 CA GLU A 61 4.377 -15.098 4.263 1.00 54.40 C ATOM 984 C GLU A 61 3.657 -16.294 3.672 1.00 62.01 C ATOM 985 O GLU A 61 3.836 -17.416 4.158 1.00 3.42 O ATOM 986 CB GLU A 61 3.499 -14.422 5.317 1.00 64.41 C ATOM 987 CG GLU A 61 3.603 -15.105 6.681 1.00 21.14 C ATOM 988 CD GLU A 61 3.101 -14.166 7.769 1.00 34.24 C ATOM 989 OE1 GLU A 61 3.833 -13.217 8.138 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.980 -14.374 8.280 1.00 3.14 O ATOM 0 H GLU A 61 4.151 -13.228 3.464 1.00 54.21 H new ATOM 0 HA GLU A 61 5.308 -15.469 4.690 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.790 -13.376 5.413 1.00 64.41 H new ATOM 0 HB3 GLU A 61 2.461 -14.434 4.985 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.017 -16.024 6.683 1.00 21.14 H new ATOM 0 HG3 GLU A 61 4.637 -15.386 6.879 1.00 21.14 H new ATOM 997 N TYR A 62 2.827 -16.059 2.652 1.00 60.23 N ATOM 998 CA TYR A 62 2.138 -17.178 2.033 1.00 13.04 C ATOM 999 C TYR A 62 3.073 -17.987 1.144 1.00 13.02 C ATOM 1000 O TYR A 62 3.878 -17.448 0.381 1.00 51.53 O ATOM 1001 CB TYR A 62 0.942 -16.716 1.219 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.058 -15.912 2.007 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.706 -16.508 3.104 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.299 -14.567 1.671 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -1.619 -15.762 3.861 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -1.179 -13.800 2.454 1.00 41.42 C ATOM 1007 CZ TYR A 62 -1.849 -14.403 3.552 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.693 -13.686 4.341 1.00 10.34 O ATOM 0 H TYR A 62 2.625 -15.141 2.255 1.00 60.23 H new ATOM 0 HA TYR A 62 1.786 -17.814 2.845 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.295 -16.116 0.380 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.442 -17.589 0.799 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.501 -17.536 3.362 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.190 -14.126 0.815 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -2.147 -16.226 4.681 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.345 -12.758 2.222 1.00 41.42 H new ATOM 0 HH TYR A 62 -2.752 -12.767 4.007 1.00 10.34 H new ATOM 1018 N THR A 63 2.879 -19.296 1.182 1.00 43.11 N ATOM 1019 CA THR A 63 3.490 -20.242 0.276 1.00 35.33 C ATOM 1020 C THR A 63 2.698 -20.267 -1.034 1.00 12.01 C ATOM 1021 O THR A 63 3.276 -20.004 -2.089 1.00 41.13 O ATOM 1022 CB THR A 63 3.562 -21.597 0.999 1.00 2.33 C ATOM 1023 OG1 THR A 63 2.361 -21.834 1.719 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.703 -21.539 2.019 1.00 31.03 C ATOM 0 H THR A 63 2.270 -19.739 1.870 1.00 43.11 H new ATOM 0 HA THR A 63 4.508 -19.965 0.001 1.00 35.33 H new ATOM 0 HB THR A 63 3.717 -22.385 0.262 1.00 2.33 H new ATOM 0 HG1 THR A 63 2.418 -22.700 2.174 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.771 -22.492 2.543 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.643 -21.341 1.503 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.509 -20.743 2.737 1.00 31.03 H new ATOM 1032 N ASN A 64 1.387 -20.543 -0.980 1.00 22.12 N ATOM 1033 CA ASN A 64 0.610 -20.869 -2.179 1.00 20.34 C ATOM 1034 C ASN A 64 0.678 -19.767 -3.237 1.00 62.22 C ATOM 1035 O ASN A 64 0.589 -18.585 -2.887 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.868 -21.122 -1.831 1.00 73.21 C ATOM 1037 CG ASN A 64 -1.106 -22.592 -1.566 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.730 -23.088 -0.510 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -1.707 -23.316 -2.489 1.00 53.22 N ATOM 0 H ASN A 64 0.844 -20.546 -0.116 1.00 22.12 H new ATOM 0 HA ASN A 64 1.058 -21.774 -2.589 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -1.146 -20.539 -0.953 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.503 -20.787 -2.651 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.868 -24.311 -2.332 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.011 -22.881 -3.360 1.00 53.22 H new ATOM 1046 N PRO A 65 0.702 -20.137 -4.530 1.00 2.25 N ATOM 1047 CA PRO A 65 0.810 -19.185 -5.622 1.00 15.53 C ATOM 1048 C PRO A 65 -0.455 -18.338 -5.732 1.00 14.03 C ATOM 1049 O PRO A 65 -0.361 -17.117 -5.895 1.00 64.50 O ATOM 1050 CB PRO A 65 1.071 -20.016 -6.875 1.00 31.12 C ATOM 1051 CG PRO A 65 0.476 -21.383 -6.545 1.00 31.01 C ATOM 1052 CD PRO A 65 0.747 -21.497 -5.049 1.00 54.11 C ATOM 0 HA PRO A 65 1.619 -18.472 -5.466 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.596 -19.576 -7.752 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.137 -20.087 -7.092 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.589 -21.429 -6.771 1.00 31.01 H new ATOM 0 HG3 PRO A 65 0.956 -22.183 -7.108 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.000 -22.125 -4.564 1.00 54.11 H new ATOM 0 HD3 PRO A 65 1.718 -21.954 -4.862 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.634 -18.960 -5.606 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.894 -18.265 -5.637 1.00 32.01 C ATOM 1062 C GLU A 66 -2.899 -17.184 -4.560 1.00 34.31 C ATOM 1063 O GLU A 66 -3.172 -16.036 -4.876 1.00 2.21 O ATOM 1064 CB GLU A 66 -4.043 -19.269 -5.478 1.00 33.45 C ATOM 1065 CG GLU A 66 -5.304 -18.622 -6.053 1.00 24.12 C ATOM 1066 CD GLU A 66 -6.599 -19.437 -5.908 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -6.764 -20.220 -4.940 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -7.516 -19.222 -6.729 1.00 0.13 O ATOM 0 H GLU A 66 -1.724 -19.968 -5.479 1.00 13.54 H new ATOM 0 HA GLU A 66 -3.036 -17.769 -6.597 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.816 -20.197 -6.002 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.187 -19.523 -4.428 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -5.448 -17.657 -5.568 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -5.138 -18.425 -7.112 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.507 -17.510 -3.327 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.447 -16.590 -2.209 1.00 44.41 C ATOM 1077 C GLN A 67 -1.487 -15.435 -2.504 1.00 71.14 C ATOM 1078 O GLN A 67 -1.898 -14.276 -2.428 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.034 -17.375 -0.955 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.209 -17.690 -0.020 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.015 -19.004 0.720 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.755 -19.958 0.508 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.014 -19.091 1.575 1.00 3.24 N ATOM 0 H GLN A 67 -2.214 -18.455 -3.080 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.426 -16.142 -2.040 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.561 -18.309 -1.259 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.286 -16.802 -0.407 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.324 -16.881 0.702 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.131 -17.734 -0.599 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.410 -18.285 1.737 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.844 -19.964 2.074 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.214 -15.700 -2.822 1.00 1.22 N ATOM 1093 CA ILE A 68 0.756 -14.622 -3.022 1.00 12.50 C ATOM 1094 C ILE A 68 0.399 -13.733 -4.217 1.00 71.12 C ATOM 1095 O ILE A 68 0.878 -12.595 -4.264 1.00 55.41 O ATOM 1096 CB ILE A 68 2.210 -15.132 -3.120 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.500 -16.124 -4.249 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.623 -15.770 -1.805 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.924 -15.439 -5.548 1.00 33.44 C ATOM 0 H ILE A 68 0.163 -16.640 -2.945 1.00 1.22 H new ATOM 0 HA ILE A 68 0.698 -14.005 -2.125 1.00 12.50 H new ATOM 0 HB ILE A 68 2.791 -14.239 -3.352 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.287 -16.808 -3.931 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.610 -16.725 -4.435 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.650 -16.128 -1.881 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.554 -15.033 -1.005 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.962 -16.608 -1.584 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.116 -16.193 -6.311 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.128 -14.775 -5.886 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.831 -14.859 -5.375 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.395 -14.208 -5.187 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.916 -13.375 -6.272 1.00 12.30 C ATOM 1113 C LYS A 69 -2.144 -12.604 -5.787 1.00 53.31 C ATOM 1114 O LYS A 69 -2.144 -11.372 -5.820 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.243 -14.253 -7.492 1.00 34.45 C ATOM 1116 CG LYS A 69 0.031 -14.772 -8.184 1.00 41.45 C ATOM 1117 CD LYS A 69 -0.307 -15.851 -9.209 1.00 30.22 C ATOM 1118 CE LYS A 69 0.950 -16.336 -9.942 1.00 41.34 C ATOM 1119 NZ LYS A 69 0.645 -17.420 -10.899 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.692 -15.182 -5.238 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.162 -12.649 -6.575 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.855 -15.098 -7.177 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.835 -13.678 -8.205 1.00 34.45 H new ATOM 0 HG2 LYS A 69 0.545 -13.946 -8.676 1.00 41.45 H new ATOM 0 HG3 LYS A 69 0.716 -15.175 -7.438 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.787 -16.693 -8.710 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -1.023 -15.458 -9.931 1.00 30.22 H new ATOM 0 HE2 LYS A 69 1.406 -15.500 -10.473 1.00 41.34 H new ATOM 0 HE3 LYS A 69 1.681 -16.689 -9.215 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 1.520 -17.720 -11.374 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 0.233 -18.228 -10.389 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -0.033 -17.076 -11.608 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.172 -13.327 -5.341 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.499 -12.835 -5.004 1.00 72.22 C ATOM 1135 C GLN A 70 -4.388 -11.799 -3.895 1.00 73.44 C ATOM 1136 O GLN A 70 -4.847 -10.674 -4.075 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.404 -14.014 -4.595 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.886 -13.662 -4.411 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.642 -13.394 -5.712 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.233 -13.825 -6.790 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -8.749 -12.670 -5.646 1.00 61.54 N ATOM 0 H GLN A 70 -3.090 -14.334 -5.198 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.952 -12.355 -5.871 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.323 -14.794 -5.352 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.028 -14.435 -3.662 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.377 -14.479 -3.882 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.960 -12.780 -3.775 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -9.076 -12.319 -4.746 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -9.274 -12.463 -6.495 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.758 -12.137 -2.761 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.667 -11.228 -1.639 1.00 1.41 C ATOM 1152 C TRP A 71 -2.886 -9.981 -2.014 1.00 43.13 C ATOM 1153 O TRP A 71 -3.223 -8.905 -1.528 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.051 -11.910 -0.422 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.979 -12.826 0.298 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.806 -14.148 0.492 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.205 -12.475 0.999 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.855 -14.648 1.240 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.739 -13.651 1.601 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.884 -11.260 1.228 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.899 -13.614 2.391 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.033 -11.212 2.032 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.537 -12.385 2.623 1.00 10.30 C ATOM 0 H TRP A 71 -3.307 -13.039 -2.609 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.680 -10.927 -1.373 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.175 -12.475 -0.740 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.702 -11.145 0.272 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.975 -14.728 0.120 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.963 -15.630 1.493 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.513 -10.351 0.777 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.297 -14.523 2.817 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.533 -10.269 2.198 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.413 -12.340 3.254 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.886 -10.092 -2.899 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.115 -8.926 -3.314 1.00 44.24 C ATOM 1176 C ARG A 72 -2.059 -7.902 -3.928 1.00 25.40 C ATOM 1177 O ARG A 72 -2.074 -6.747 -3.512 1.00 72.43 O ATOM 1178 CB ARG A 72 0.054 -9.326 -4.224 1.00 20.22 C ATOM 1179 CG ARG A 72 1.108 -8.220 -4.444 1.00 24.51 C ATOM 1180 CD ARG A 72 2.347 -8.886 -5.054 1.00 4.10 C ATOM 1181 NE ARG A 72 3.590 -8.100 -5.005 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.738 -8.528 -5.549 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.786 -9.665 -6.238 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.846 -7.814 -5.419 1.00 74.24 N ATOM 0 H ARG A 72 -1.599 -10.969 -3.334 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.645 -8.456 -2.450 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.547 -10.199 -3.797 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.344 -9.627 -5.193 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.721 -7.447 -5.108 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.358 -7.734 -3.501 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.518 -9.832 -4.539 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.132 -9.124 -6.096 1.00 4.10 H new ATOM 0 HE ARG A 72 3.578 -7.193 -4.538 1.00 14.41 H new ATOM 0 HH11 ARG A 72 3.942 -10.224 -6.358 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.667 -9.977 -6.646 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.828 -6.934 -4.903 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.717 -8.144 -5.835 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.876 -8.317 -4.899 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.896 -7.442 -5.464 1.00 2.53 C ATOM 1200 C LYS A 73 -4.909 -7.041 -4.398 1.00 1.23 C ATOM 1201 O LYS A 73 -5.172 -5.848 -4.309 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.573 -8.075 -6.691 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.981 -7.538 -8.004 1.00 63.11 C ATOM 1204 CD LYS A 73 -2.531 -7.976 -8.264 1.00 42.23 C ATOM 1205 CE LYS A 73 -2.107 -7.545 -9.675 1.00 22.32 C ATOM 1206 NZ LYS A 73 -1.741 -6.113 -9.761 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.848 -9.251 -5.307 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.405 -6.534 -5.814 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.455 -9.158 -6.654 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.643 -7.870 -6.663 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.604 -7.871 -8.834 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -4.023 -6.449 -7.991 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -1.868 -7.531 -7.522 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -2.443 -9.058 -8.162 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -1.258 -8.150 -9.993 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -2.922 -7.748 -10.370 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -1.464 -5.883 -10.737 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -2.556 -5.529 -9.486 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -0.945 -5.919 -9.121 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.444 -7.970 -3.598 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.485 -7.689 -2.613 1.00 31.13 C ATOM 1222 C ASN A 74 -6.079 -6.538 -1.705 1.00 50.53 C ATOM 1223 O ASN A 74 -6.848 -5.594 -1.552 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.820 -8.909 -1.739 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.610 -10.003 -2.443 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.241 -9.773 -3.470 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.617 -11.203 -1.885 1.00 4.44 N ATOM 0 H ASN A 74 -5.160 -8.949 -3.620 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.373 -7.422 -3.185 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.890 -9.336 -1.365 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.388 -8.572 -0.872 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.154 -11.959 -2.309 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.085 -11.372 -1.031 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.877 -6.592 -1.125 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.353 -5.531 -0.273 1.00 4.53 C ATOM 1236 C LEU A 75 -4.292 -4.213 -1.031 1.00 24.52 C ATOM 1237 O LEU A 75 -4.812 -3.208 -0.558 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.956 -5.884 0.269 1.00 10.04 C ATOM 1239 CG LEU A 75 -2.921 -6.488 1.682 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.581 -5.582 2.730 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -3.573 -7.868 1.731 1.00 54.21 C ATOM 0 H LEU A 75 -4.239 -7.380 -1.237 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.033 -5.426 0.572 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.487 -6.588 -0.419 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.346 -4.981 0.265 1.00 10.04 H new ATOM 0 HG LEU A 75 -1.863 -6.584 1.928 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.527 -6.059 3.709 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -3.060 -4.625 2.763 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -4.625 -5.418 2.463 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -3.526 -8.257 2.748 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.615 -7.789 1.421 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -3.044 -8.544 1.059 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.668 -4.196 -2.206 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.560 -2.979 -2.990 1.00 2.42 C ATOM 1255 C TRP A 76 -4.939 -2.401 -3.368 1.00 30.11 C ATOM 1256 O TRP A 76 -5.073 -1.182 -3.415 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.638 -3.253 -4.188 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.166 -3.217 -3.857 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.278 -4.238 -3.926 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.393 -2.076 -3.380 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.980 -3.806 -3.554 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.976 -2.462 -3.261 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.719 -0.748 -3.042 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.981 -1.559 -2.896 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.279 0.178 -2.682 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.626 -0.227 -2.639 1.00 33.11 C ATOM 0 H TRP A 76 -3.231 -5.013 -2.632 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.106 -2.188 -2.393 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.882 -4.231 -4.603 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.842 -2.517 -4.965 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.519 -5.246 -4.229 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.804 -4.405 -3.503 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.752 -0.434 -3.059 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.009 -1.881 -2.814 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 0.011 1.196 -2.440 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.394 0.495 -2.406 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.964 -3.233 -3.587 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.351 -2.817 -3.832 1.00 32.02 C ATOM 1279 C ILE A 77 -7.964 -2.266 -2.541 1.00 35.11 C ATOM 1280 O ILE A 77 -8.656 -1.249 -2.570 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.171 -4.005 -4.400 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.642 -4.354 -5.805 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.679 -3.703 -4.473 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.114 -5.712 -6.341 1.00 32.44 C ATOM 0 H ILE A 77 -5.848 -4.246 -3.599 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.369 -2.020 -4.576 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.048 -4.848 -3.720 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.953 -3.575 -6.501 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.552 -4.345 -5.782 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.204 -4.568 -4.878 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.055 -3.485 -3.473 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.847 -2.842 -5.120 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.695 -5.877 -7.334 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.780 -6.504 -5.670 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.202 -5.721 -6.400 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.721 -2.931 -1.415 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.176 -2.487 -0.101 1.00 71.52 C ATOM 1298 C PHE A 78 -7.691 -1.061 0.162 1.00 63.24 C ATOM 1299 O PHE A 78 -8.490 -0.213 0.557 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.725 -3.469 0.996 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.112 -3.048 2.398 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.435 -3.216 2.841 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.160 -2.471 3.259 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -9.812 -2.782 4.121 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.543 -2.035 4.537 1.00 14.45 C ATOM 1306 CZ PHE A 78 -8.869 -2.179 4.967 1.00 25.55 C ATOM 0 H PHE A 78 -7.196 -3.805 -1.389 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.266 -2.476 -0.082 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.155 -4.449 0.791 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.642 -3.580 0.947 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.164 -3.681 2.194 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.135 -2.364 2.936 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -10.830 -2.912 4.456 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -6.812 -1.586 5.193 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.164 -1.828 5.945 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.405 -0.796 -0.081 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.815 0.527 0.080 1.00 72.11 C ATOM 1318 C VAL A 79 -6.441 1.512 -0.898 1.00 63.14 C ATOM 1319 O VAL A 79 -6.782 2.603 -0.455 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.281 0.441 -0.037 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.581 1.805 0.043 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.755 -0.430 1.114 1.00 22.13 C ATOM 0 H VAL A 79 -5.741 -1.503 -0.398 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.031 0.908 1.078 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.061 0.019 -1.018 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.504 1.667 -0.047 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.934 2.443 -0.767 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.808 2.275 1.000 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.669 -0.503 1.048 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.031 0.021 2.067 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.190 -1.427 1.044 1.00 22.13 H new ATOM 1332 N SER A 80 -6.661 1.114 -2.157 1.00 34.12 N ATOM 1333 CA SER A 80 -7.320 1.901 -3.202 1.00 61.41 C ATOM 1334 C SER A 80 -8.592 2.586 -2.677 1.00 21.53 C ATOM 1335 O SER A 80 -8.838 3.747 -2.987 1.00 43.34 O ATOM 1336 CB SER A 80 -7.648 0.967 -4.383 1.00 54.34 C ATOM 1337 OG SER A 80 -7.543 1.546 -5.669 1.00 43.03 O ATOM 0 H SER A 80 -6.371 0.194 -2.488 1.00 34.12 H new ATOM 0 HA SER A 80 -6.649 2.694 -3.530 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.982 0.105 -4.337 1.00 54.34 H new ATOM 0 HB3 SER A 80 -8.664 0.592 -4.255 1.00 54.34 H new ATOM 0 HG SER A 80 -7.918 0.933 -6.335 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.403 1.876 -1.885 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.686 2.395 -1.403 1.00 53.15 C ATOM 1345 C LYS A 81 -10.478 3.474 -0.333 1.00 44.31 C ATOM 1346 O LYS A 81 -11.274 4.412 -0.261 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.573 1.231 -0.914 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.496 0.640 -1.996 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.741 -0.191 -3.047 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.656 -0.679 -4.179 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.667 -1.672 -3.746 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.190 0.932 -1.562 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.210 2.881 -2.226 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.932 0.439 -0.527 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.185 1.580 -0.082 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.249 0.013 -1.519 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -13.026 1.451 -2.495 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.935 0.409 -3.469 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.278 -1.051 -2.562 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.167 0.179 -4.616 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.042 -1.119 -4.965 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.352 -2.627 -4.011 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.784 -1.621 -2.714 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -14.576 -1.466 -4.208 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.426 3.367 0.482 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.930 4.419 1.368 1.00 3.11 C ATOM 1367 C PHE A 82 -8.106 5.508 0.656 1.00 61.04 C ATOM 1368 O PHE A 82 -7.323 6.173 1.335 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.104 3.774 2.496 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.958 3.085 3.522 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.491 3.826 4.590 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -9.261 1.726 3.378 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -10.348 3.205 5.511 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -10.141 1.114 4.276 1.00 43.31 C ATOM 1375 CZ PHE A 82 -10.693 1.850 5.343 1.00 61.24 C ATOM 0 H PHE A 82 -8.876 2.511 0.544 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.804 4.934 1.768 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.409 3.053 2.065 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.504 4.541 2.985 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.242 4.871 4.702 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -8.817 1.153 2.577 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -10.742 3.765 6.346 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -10.399 0.073 4.151 1.00 43.31 H new ATOM 0 HZ PHE A 82 -11.379 1.376 6.030 1.00 61.24 H new ATOM 1385 N THR A 83 -8.185 5.708 -0.661 1.00 61.12 N ATOM 1386 CA THR A 83 -7.469 6.821 -1.277 1.00 12.22 C ATOM 1387 C THR A 83 -8.139 7.252 -2.586 1.00 51.24 C ATOM 1388 O THR A 83 -9.206 6.765 -2.963 1.00 21.11 O ATOM 1389 CB THR A 83 -5.972 6.446 -1.402 1.00 21.14 C ATOM 1390 OG1 THR A 83 -5.169 7.537 -1.813 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.723 5.270 -2.336 1.00 21.44 C ATOM 0 H THR A 83 -8.723 5.129 -1.306 1.00 61.12 H new ATOM 0 HA THR A 83 -7.517 7.709 -0.647 1.00 12.22 H new ATOM 0 HB THR A 83 -5.683 6.151 -0.393 1.00 21.14 H new ATOM 0 HG1 THR A 83 -5.238 8.260 -1.155 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.654 5.059 -2.379 1.00 21.44 H new ATOM 0 HG22 THR A 83 -6.252 4.392 -1.965 1.00 21.44 H new ATOM 0 HG23 THR A 83 -6.084 5.516 -3.335 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.502 8.211 -3.248 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.748 8.748 -4.581 1.00 74.01 C ATOM 1401 C GLU A 84 -6.766 8.141 -5.607 1.00 43.32 C ATOM 1402 O GLU A 84 -6.818 8.450 -6.802 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.735 10.281 -4.505 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.312 10.743 -4.220 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.171 12.202 -3.769 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -7.130 12.795 -3.218 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -5.058 12.753 -3.926 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.710 8.685 -2.813 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.734 8.460 -4.944 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -8.091 10.709 -5.442 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.409 10.626 -3.721 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -5.887 10.100 -3.449 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -5.715 10.600 -5.120 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.856 7.272 -5.156 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.845 6.601 -5.957 1.00 60.43 C ATOM 1416 C PHE A 85 -5.278 5.166 -6.223 1.00 31.05 C ATOM 1417 O PHE A 85 -5.301 4.348 -5.311 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.487 6.677 -5.236 1.00 20.01 C ATOM 1419 CG PHE A 85 -3.011 8.098 -4.978 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.108 9.066 -5.994 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.531 8.474 -3.709 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.739 10.401 -5.745 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -2.157 9.807 -3.465 1.00 70.20 C ATOM 1424 CZ PHE A 85 -2.262 10.773 -4.479 1.00 71.12 C ATOM 0 H PHE A 85 -5.808 7.009 -4.172 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.733 7.095 -6.922 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.560 6.149 -4.285 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.739 6.155 -5.833 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.468 8.783 -6.972 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.450 7.738 -2.923 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.823 11.139 -6.529 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -1.786 10.090 -2.491 1.00 70.20 H new ATOM 0 HZ PHE A 85 -1.977 11.797 -4.285 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.608 4.854 -7.480 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.951 3.488 -7.869 1.00 42.44 C ATOM 1436 C ASP A 86 -4.820 2.548 -7.462 1.00 50.23 C ATOM 1437 O ASP A 86 -3.642 2.901 -7.538 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.058 3.318 -9.389 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.430 3.501 -10.021 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.965 4.626 -10.001 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -7.905 2.550 -10.689 1.00 54.44 O ATOM 0 H ASP A 86 -5.644 5.530 -8.243 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.904 3.269 -7.387 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.375 4.028 -9.856 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.702 2.319 -9.642 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.170 1.279 -7.291 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.267 0.134 -7.164 1.00 54.34 C ATOM 1448 C ALA A 87 -3.302 0.023 -8.363 1.00 42.15 C ATOM 1449 O ALA A 87 -2.275 -0.657 -8.289 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.105 -1.137 -7.002 1.00 13.05 C ATOM 0 H ALA A 87 -6.150 1.002 -7.233 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.641 0.273 -6.283 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.444 -1.999 -6.906 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.724 -1.053 -6.109 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.744 -1.265 -7.876 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.631 0.706 -9.462 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.834 0.979 -10.645 1.00 71.23 C ATOM 1458 C ARG A 88 -1.627 1.834 -10.254 1.00 35.22 C ATOM 1459 O ARG A 88 -0.493 1.364 -10.340 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.761 1.647 -11.691 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.442 1.377 -13.165 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.077 1.884 -13.644 1.00 12.42 C ATOM 1463 NE ARG A 88 -2.065 1.985 -15.114 1.00 52.53 N ATOM 1464 CZ ARG A 88 -1.911 0.993 -16.000 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -1.673 -0.251 -15.603 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -2.021 1.242 -17.298 1.00 13.42 N ATOM 0 H ARG A 88 -4.559 1.121 -9.547 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.429 0.071 -11.092 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.783 1.320 -11.498 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.736 2.725 -11.529 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.494 0.302 -13.340 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.217 1.837 -13.778 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -1.866 2.858 -13.203 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -1.291 1.206 -13.311 1.00 12.42 H new ATOM 0 HE ARG A 88 -2.188 2.920 -15.502 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -1.605 -0.465 -14.608 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -1.559 -0.993 -16.293 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -2.223 2.188 -17.620 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -1.904 0.487 -17.974 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.849 3.087 -9.833 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.774 4.044 -9.556 1.00 14.14 C ATOM 1482 C LYS A 89 -0.156 3.850 -8.166 1.00 2.34 C ATOM 1483 O LYS A 89 1.025 4.142 -8.003 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.229 5.495 -9.823 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.376 6.009 -8.932 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.435 6.830 -9.690 1.00 64.32 C ATOM 1487 CE LYS A 89 -3.152 8.328 -9.841 1.00 13.54 C ATOM 1488 NZ LYS A 89 -2.699 8.747 -11.185 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.783 3.464 -9.675 1.00 15.10 H new ATOM 0 HA LYS A 89 0.033 3.837 -10.259 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.371 6.155 -9.696 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.540 5.573 -10.865 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.863 5.158 -8.456 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.957 6.623 -8.135 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.552 6.402 -10.686 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.390 6.712 -9.178 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.058 8.880 -9.591 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -2.393 8.614 -9.113 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -2.533 9.774 -11.191 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -1.816 8.252 -11.424 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -3.429 8.510 -11.887 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.882 3.278 -7.202 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.381 2.935 -5.870 1.00 62.33 C ATOM 1504 C LEU A 90 0.930 2.157 -5.986 1.00 70.22 C ATOM 1505 O LEU A 90 1.947 2.560 -5.416 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.432 2.107 -5.105 1.00 42.24 C ATOM 1507 CG LEU A 90 -2.254 2.918 -4.090 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -3.552 2.192 -3.730 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -1.527 3.325 -2.808 1.00 43.35 C ATOM 0 H LEU A 90 -1.864 3.034 -7.331 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.192 3.854 -5.316 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.112 1.650 -5.824 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.928 1.295 -4.582 1.00 42.24 H new ATOM 0 HG LEU A 90 -2.459 3.851 -4.615 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -4.114 2.787 -3.011 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -4.151 2.049 -4.630 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -3.317 1.222 -3.293 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -2.205 3.891 -2.169 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -1.193 2.432 -2.280 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -0.664 3.942 -3.059 1.00 43.35 H new ATOM 1521 N HIS A 91 0.937 1.066 -6.767 1.00 11.24 N ATOM 1522 CA HIS A 91 2.124 0.222 -6.839 1.00 44.30 C ATOM 1523 C HIS A 91 3.302 1.016 -7.419 1.00 65.40 C ATOM 1524 O HIS A 91 4.435 0.800 -6.994 1.00 62.10 O ATOM 1525 CB HIS A 91 1.891 -1.073 -7.644 1.00 74.21 C ATOM 1526 CG HIS A 91 2.322 -1.006 -9.094 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.606 -0.515 -10.163 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.578 -1.317 -9.548 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.412 -0.556 -11.238 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.631 -1.029 -10.916 1.00 10.32 N ATOM 0 H HIS A 91 0.152 0.758 -7.341 1.00 11.24 H new ATOM 0 HA HIS A 91 2.360 -0.085 -5.820 1.00 44.30 H new ATOM 0 HB2 HIS A 91 2.427 -1.888 -7.158 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.830 -1.322 -7.606 1.00 74.21 H new ATOM 0 HD1 HIS A 91 0.642 -0.182 -10.143 1.00 12.20 H new ATOM 0 HD2 HIS A 91 4.386 -1.715 -8.953 1.00 63.15 H new ATOM 0 HE1 HIS A 91 2.120 -0.249 -12.231 1.00 30.45 H new ATOM 1538 N LYS A 92 3.072 1.913 -8.397 1.00 0.33 N ATOM 1539 CA LYS A 92 4.177 2.625 -9.039 1.00 62.41 C ATOM 1540 C LYS A 92 4.722 3.718 -8.137 1.00 4.02 C ATOM 1541 O LYS A 92 5.921 3.974 -8.200 1.00 61.24 O ATOM 1542 CB LYS A 92 3.866 3.085 -10.477 1.00 22.30 C ATOM 1543 CG LYS A 92 3.036 4.360 -10.721 1.00 2.40 C ATOM 1544 CD LYS A 92 3.746 5.705 -10.475 1.00 24.33 C ATOM 1545 CE LYS A 92 2.967 6.821 -11.184 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.564 8.165 -11.014 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.146 2.154 -8.750 1.00 0.33 H new ATOM 0 HA LYS A 92 4.985 1.907 -9.174 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.820 3.218 -10.987 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.350 2.264 -10.975 1.00 22.30 H new ATOM 0 HG2 LYS A 92 2.684 4.345 -11.752 1.00 2.40 H new ATOM 0 HG3 LYS A 92 2.154 4.319 -10.082 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.806 5.909 -9.406 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.769 5.664 -10.849 1.00 24.33 H new ATOM 0 HE2 LYS A 92 2.908 6.591 -12.248 1.00 65.23 H new ATOM 0 HE3 LYS A 92 1.945 6.836 -10.804 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 2.987 8.868 -11.518 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 3.596 8.405 -10.003 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.529 8.168 -11.401 1.00 43.32 H new ATOM 1560 N LEU A 93 3.893 4.324 -7.281 1.00 63.33 N ATOM 1561 CA LEU A 93 4.348 5.255 -6.251 1.00 20.11 C ATOM 1562 C LEU A 93 5.352 4.540 -5.347 1.00 43.43 C ATOM 1563 O LEU A 93 6.463 5.044 -5.135 1.00 62.13 O ATOM 1564 CB LEU A 93 3.168 5.785 -5.415 1.00 1.11 C ATOM 1565 CG LEU A 93 2.238 6.787 -6.118 1.00 52.21 C ATOM 1566 CD1 LEU A 93 0.931 6.939 -5.335 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.925 8.151 -6.232 1.00 24.41 C ATOM 0 H LEU A 93 2.883 4.180 -7.286 1.00 63.33 H new ATOM 0 HA LEU A 93 4.821 6.110 -6.734 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.571 4.934 -5.087 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.568 6.259 -4.518 1.00 1.11 H new ATOM 0 HG LEU A 93 2.015 6.410 -7.116 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.282 7.652 -5.845 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.430 5.973 -5.272 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.149 7.301 -4.330 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.258 8.854 -6.731 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.163 8.523 -5.235 1.00 24.41 H new ATOM 0 HD23 LEU A 93 3.843 8.049 -6.810 1.00 24.41 H new ATOM 1579 N TYR A 94 4.967 3.356 -4.858 1.00 62.42 N ATOM 1580 CA TYR A 94 5.802 2.511 -4.015 1.00 42.52 C ATOM 1581 C TYR A 94 7.073 2.135 -4.759 1.00 73.20 C ATOM 1582 O TYR A 94 8.149 2.573 -4.367 1.00 63.02 O ATOM 1583 CB TYR A 94 5.017 1.276 -3.552 1.00 5.32 C ATOM 1584 CG TYR A 94 5.761 0.416 -2.549 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.119 0.962 -1.302 1.00 3.30 C ATOM 1586 CD2 TYR A 94 6.069 -0.930 -2.838 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.784 0.181 -0.341 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.710 -1.726 -1.870 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.081 -1.172 -0.623 1.00 54.02 C ATOM 1590 OH TYR A 94 7.688 -1.960 0.301 1.00 52.45 O ATOM 0 H TYR A 94 4.047 2.956 -5.044 1.00 62.42 H new ATOM 0 HA TYR A 94 6.092 3.062 -3.120 1.00 42.52 H new ATOM 0 HB2 TYR A 94 4.075 1.601 -3.109 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.768 0.669 -4.422 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.880 1.992 -1.081 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.813 -1.349 -3.800 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.067 0.612 0.608 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.919 -2.764 -2.081 1.00 73.21 H new ATOM 0 HH TYR A 94 7.812 -2.860 -0.067 1.00 52.45 H new ATOM 1600 N LYS A 95 6.947 1.397 -5.865 1.00 41.45 N ATOM 1601 CA LYS A 95 8.057 0.907 -6.676 1.00 54.30 C ATOM 1602 C LYS A 95 9.035 2.023 -7.033 1.00 22.23 C ATOM 1603 O LYS A 95 10.229 1.789 -7.003 1.00 35.23 O ATOM 1604 CB LYS A 95 7.492 0.192 -7.915 1.00 32.21 C ATOM 1605 CG LYS A 95 8.557 -0.465 -8.812 1.00 61.25 C ATOM 1606 CD LYS A 95 8.884 0.301 -10.105 1.00 54.15 C ATOM 1607 CE LYS A 95 7.690 0.314 -11.073 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.081 0.676 -12.452 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.037 1.116 -6.230 1.00 41.45 H new ATOM 0 HA LYS A 95 8.638 0.188 -6.099 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.788 -0.573 -7.588 1.00 32.21 H new ATOM 0 HB3 LYS A 95 6.928 0.911 -8.509 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.474 -0.581 -8.235 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.219 -1.467 -9.077 1.00 61.25 H new ATOM 0 HD2 LYS A 95 9.166 1.325 -9.860 1.00 54.15 H new ATOM 0 HD3 LYS A 95 9.744 -0.158 -10.593 1.00 54.15 H new ATOM 0 HE2 LYS A 95 7.221 -0.670 -11.079 1.00 22.41 H new ATOM 0 HE3 LYS A 95 6.943 1.022 -10.713 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 7.240 0.670 -13.064 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 8.505 1.626 -12.455 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.774 -0.013 -12.809 1.00 12.11 H new ATOM 1622 N HIS A 96 8.567 3.228 -7.334 1.00 2.14 N ATOM 1623 CA HIS A 96 9.420 4.387 -7.574 1.00 2.00 C ATOM 1624 C HIS A 96 10.212 4.737 -6.317 1.00 64.43 C ATOM 1625 O HIS A 96 11.440 4.782 -6.379 1.00 42.32 O ATOM 1626 CB HIS A 96 8.574 5.578 -8.038 1.00 24.51 C ATOM 1627 CG HIS A 96 9.263 6.921 -7.970 1.00 14.41 C ATOM 1628 ND1 HIS A 96 10.554 7.240 -8.334 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.716 8.036 -7.404 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.782 8.509 -7.959 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.689 9.045 -7.380 1.00 62.31 N ATOM 0 H HIS A 96 7.571 3.431 -7.420 1.00 2.14 H new ATOM 0 HA HIS A 96 10.131 4.143 -8.363 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.259 5.401 -9.066 1.00 24.51 H new ATOM 0 HB3 HIS A 96 7.670 5.620 -7.430 1.00 24.51 H new ATOM 0 HD2 HIS A 96 7.704 8.126 -7.037 1.00 62.44 H new ATOM 0 HE1 HIS A 96 11.717 9.031 -8.102 1.00 43.34 H new ATOM 0 HE2 HIS A 96 9.590 9.988 -7.003 1.00 62.31 H new ATOM 1639 N ALA A 97 9.529 5.016 -5.197 1.00 74.32 N ATOM 1640 CA ALA A 97 10.192 5.421 -3.958 1.00 62.11 C ATOM 1641 C ALA A 97 11.254 4.390 -3.574 1.00 21.45 C ATOM 1642 O ALA A 97 12.422 4.731 -3.385 1.00 62.01 O ATOM 1643 CB ALA A 97 9.158 5.594 -2.837 1.00 12.11 C ATOM 0 H ALA A 97 8.512 4.967 -5.129 1.00 74.32 H new ATOM 0 HA ALA A 97 10.687 6.380 -4.112 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.663 5.896 -1.919 1.00 12.11 H new ATOM 0 HB2 ALA A 97 8.437 6.360 -3.122 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.639 4.650 -2.672 1.00 12.11 H new ATOM 1649 N ILE A 98 10.833 3.130 -3.531 1.00 4.01 N ATOM 1650 CA ILE A 98 11.609 1.936 -3.259 1.00 65.43 C ATOM 1651 C ILE A 98 12.807 1.862 -4.202 1.00 70.52 C ATOM 1652 O ILE A 98 13.942 1.957 -3.744 1.00 31.14 O ATOM 1653 CB ILE A 98 10.628 0.740 -3.338 1.00 34.23 C ATOM 1654 CG1 ILE A 98 9.687 0.699 -2.115 1.00 72.03 C ATOM 1655 CG2 ILE A 98 11.250 -0.632 -3.600 1.00 12.03 C ATOM 1656 CD1 ILE A 98 10.389 0.625 -0.756 1.00 25.45 C ATOM 0 H ILE A 98 9.853 2.904 -3.701 1.00 4.01 H new ATOM 0 HA ILE A 98 12.055 1.933 -2.264 1.00 65.43 H new ATOM 0 HB ILE A 98 10.050 0.944 -4.240 1.00 34.23 H new ATOM 0 HG12 ILE A 98 9.056 1.587 -2.132 1.00 72.03 H new ATOM 0 HG13 ILE A 98 9.027 -0.163 -2.213 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.465 -1.387 -3.634 1.00 12.03 H new ATOM 0 HG22 ILE A 98 11.779 -0.616 -4.553 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.951 -0.873 -2.800 1.00 12.03 H new ATOM 0 HD11 ILE A 98 9.643 0.601 0.038 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.998 -0.278 -0.710 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.027 1.500 -0.628 1.00 25.45 H new ATOM 1668 N LYS A 99 12.594 1.739 -5.513 1.00 65.44 N ATOM 1669 CA LYS A 99 13.662 1.467 -6.474 1.00 2.32 C ATOM 1670 C LYS A 99 14.648 2.628 -6.574 1.00 44.52 C ATOM 1671 O LYS A 99 15.786 2.416 -6.986 1.00 12.43 O ATOM 1672 CB LYS A 99 13.006 1.140 -7.822 1.00 70.12 C ATOM 1673 CG LYS A 99 13.927 0.584 -8.920 1.00 70.31 C ATOM 1674 CD LYS A 99 13.970 1.499 -10.153 1.00 52.12 C ATOM 1675 CE LYS A 99 14.915 2.700 -10.019 1.00 11.33 C ATOM 1676 NZ LYS A 99 16.329 2.283 -9.925 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.671 1.826 -5.939 1.00 65.44 H new ATOM 0 HA LYS A 99 14.256 0.616 -6.141 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.210 0.416 -7.647 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.535 2.047 -8.200 1.00 70.12 H new ATOM 0 HG2 LYS A 99 14.935 0.465 -8.522 1.00 70.31 H new ATOM 0 HG3 LYS A 99 13.582 -0.407 -9.216 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.273 0.909 -11.018 1.00 52.12 H new ATOM 0 HD3 LYS A 99 12.963 1.865 -10.354 1.00 52.12 H new ATOM 0 HE2 LYS A 99 14.788 3.359 -10.878 1.00 11.33 H new ATOM 0 HE3 LYS A 99 14.647 3.275 -9.133 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 16.933 2.998 -10.378 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 16.597 2.187 -8.925 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 16.454 1.369 -10.406 1.00 60.11 H new ATOM 1690 N LYS A 100 14.241 3.856 -6.232 1.00 42.13 N ATOM 1691 CA LYS A 100 15.139 5.008 -6.218 1.00 4.50 C ATOM 1692 C LYS A 100 15.911 5.107 -4.901 1.00 64.53 C ATOM 1693 O LYS A 100 17.038 5.611 -4.911 1.00 65.31 O ATOM 1694 CB LYS A 100 14.329 6.280 -6.525 1.00 23.44 C ATOM 1695 CG LYS A 100 15.226 7.489 -6.841 1.00 42.32 C ATOM 1696 CD LYS A 100 15.520 8.394 -5.639 1.00 74.15 C ATOM 1697 CE LYS A 100 14.369 9.352 -5.336 1.00 14.21 C ATOM 1698 NZ LYS A 100 14.765 10.335 -4.309 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.283 4.075 -5.959 1.00 42.13 H new ATOM 0 HA LYS A 100 15.896 4.886 -6.993 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.669 6.091 -7.371 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.693 6.517 -5.672 1.00 23.44 H new ATOM 0 HG2 LYS A 100 16.171 7.128 -7.248 1.00 42.32 H new ATOM 0 HG3 LYS A 100 14.750 8.084 -7.620 1.00 42.32 H new ATOM 0 HD2 LYS A 100 15.716 7.777 -4.762 1.00 74.15 H new ATOM 0 HD3 LYS A 100 16.426 8.968 -5.833 1.00 74.15 H new ATOM 0 HE2 LYS A 100 14.072 9.871 -6.247 1.00 14.21 H new ATOM 0 HE3 LYS A 100 13.501 8.789 -4.992 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 13.969 10.977 -4.117 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 15.027 9.837 -3.434 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 15.579 10.885 -4.651 1.00 55.41 H new ATOM 1712 N ARG A 101 15.341 4.676 -3.771 1.00 13.00 N ATOM 1713 CA ARG A 101 16.068 4.657 -2.500 1.00 21.24 C ATOM 1714 C ARG A 101 17.040 3.481 -2.463 1.00 32.44 C ATOM 1715 O ARG A 101 18.143 3.645 -1.943 1.00 41.23 O ATOM 1716 CB ARG A 101 15.089 4.575 -1.308 1.00 43.10 C ATOM 1717 CG ARG A 101 15.655 5.277 -0.063 1.00 13.42 C ATOM 1718 CD ARG A 101 15.478 6.800 -0.188 1.00 31.55 C ATOM 1719 NE ARG A 101 16.352 7.528 0.741 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.120 7.828 2.026 1.00 32.10 C ATOM 1721 NH1 ARG A 101 14.976 7.504 2.624 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 17.056 8.469 2.713 1.00 74.22 N ATOM 0 H ARG A 101 14.381 4.337 -3.712 1.00 13.00 H new ATOM 0 HA ARG A 101 16.633 5.585 -2.418 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.139 5.032 -1.584 1.00 43.10 H new ATOM 0 HB3 ARG A 101 14.884 3.530 -1.076 1.00 43.10 H new ATOM 0 HG2 ARG A 101 15.146 4.916 0.831 1.00 13.42 H new ATOM 0 HG3 ARG A 101 16.711 5.034 0.052 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.696 7.109 -1.210 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.439 7.063 0.009 1.00 31.55 H new ATOM 0 HE ARG A 101 17.245 7.844 0.362 1.00 14.22 H new ATOM 0 HH11 ARG A 101 14.249 7.015 2.103 1.00 32.33 H new ATOM 0 HH12 ARG A 101 14.827 7.745 3.604 1.00 32.33 H new ATOM 0 HH21 ARG A 101 17.934 8.725 2.262 1.00 74.22 H new ATOM 0 HH22 ARG A 101 16.898 8.706 3.692 1.00 74.22 H new ATOM 1736 N GLN A 102 16.599 2.339 -3.006 1.00 34.41 N ATOM 1737 CA GLN A 102 16.885 0.948 -2.655 1.00 70.10 C ATOM 1738 C GLN A 102 16.819 0.712 -1.140 1.00 61.44 C ATOM 1739 O GLN A 102 16.855 1.649 -0.343 1.00 72.53 O ATOM 1740 CB GLN A 102 18.158 0.434 -3.360 1.00 2.55 C ATOM 1741 CG GLN A 102 19.481 0.762 -2.653 1.00 72.35 C ATOM 1742 CD GLN A 102 20.623 1.020 -3.634 1.00 41.42 C ATOM 1743 OE1 GLN A 102 20.638 2.014 -4.352 1.00 50.15 O ATOM 1744 NE2 GLN A 102 21.632 0.164 -3.651 1.00 20.33 N ATOM 0 H GLN A 102 15.956 2.377 -3.797 1.00 34.41 H new ATOM 0 HA GLN A 102 16.088 0.317 -3.050 1.00 70.10 H new ATOM 0 HB2 GLN A 102 18.082 -0.648 -3.467 1.00 2.55 H new ATOM 0 HB3 GLN A 102 18.190 0.853 -4.366 1.00 2.55 H new ATOM 0 HG2 GLN A 102 19.344 1.640 -2.022 1.00 72.35 H new ATOM 0 HG3 GLN A 102 19.752 -0.064 -1.995 1.00 72.35 H new ATOM 0 HE21 GLN A 102 21.612 -0.660 -3.051 1.00 20.33 H new ATOM 0 HE22 GLN A 102 22.430 0.329 -4.264 1.00 20.33 H new ATOM 1753 N GLU A 103 16.754 -0.544 -0.701 1.00 12.25 N ATOM 1754 CA GLU A 103 16.997 -0.892 0.697 1.00 25.11 C ATOM 1755 C GLU A 103 18.186 -1.846 0.836 1.00 60.21 C ATOM 1756 O GLU A 103 18.584 -2.193 1.945 1.00 74.11 O ATOM 1757 CB GLU A 103 15.695 -1.414 1.323 1.00 24.43 C ATOM 1758 CG GLU A 103 15.263 -2.781 0.765 1.00 2.13 C ATOM 1759 CD GLU A 103 14.009 -2.788 -0.104 1.00 32.20 C ATOM 1760 OE1 GLU A 103 12.982 -2.180 0.259 1.00 72.01 O ATOM 1761 OE2 GLU A 103 14.064 -3.479 -1.151 1.00 44.44 O1- ATOM 0 H GLU A 103 16.534 -1.341 -1.298 1.00 12.25 H new ATOM 0 HA GLU A 103 17.288 -0.004 1.259 1.00 25.11 H new ATOM 0 HB2 GLU A 103 15.824 -1.493 2.402 1.00 24.43 H new ATOM 0 HB3 GLU A 103 14.899 -0.689 1.149 1.00 24.43 H new ATOM 0 HG2 GLU A 103 16.088 -3.188 0.180 1.00 2.13 H new ATOM 0 HG3 GLU A 103 15.102 -3.458 1.604 1.00 2.13 H new ATOM 1768 N SER A 104 18.789 -2.226 -0.286 1.00 64.23 N ATOM 1769 CA SER A 104 19.757 -3.309 -0.403 1.00 2.21 C ATOM 1770 C SER A 104 21.114 -2.735 -0.813 1.00 64.02 C ATOM 1771 O SER A 104 21.227 -2.100 -1.871 1.00 13.35 O ATOM 1772 CB SER A 104 19.249 -4.331 -1.427 1.00 15.03 C ATOM 1773 OG SER A 104 17.895 -4.681 -1.176 1.00 22.12 O ATOM 0 H SER A 104 18.607 -1.766 -1.178 1.00 64.23 H new ATOM 0 HA SER A 104 19.878 -3.815 0.555 1.00 2.21 H new ATOM 0 HB2 SER A 104 19.340 -3.919 -2.432 1.00 15.03 H new ATOM 0 HB3 SER A 104 19.871 -5.225 -1.391 1.00 15.03 H new ATOM 0 HG SER A 104 17.596 -5.332 -1.844 1.00 22.12 H new ATOM 1779 N GLN A 105 22.121 -2.923 0.039 1.00 14.34 N ATOM 1780 CA GLN A 105 23.493 -2.499 -0.205 1.00 24.32 C ATOM 1781 C GLN A 105 24.022 -3.171 -1.474 1.00 1.12 C ATOM 1782 O GLN A 105 23.525 -4.225 -1.900 1.00 74.43 O ATOM 1783 CB GLN A 105 24.364 -2.834 1.017 1.00 3.52 C ATOM 1784 CG GLN A 105 23.948 -2.013 2.247 1.00 44.01 C ATOM 1785 CD GLN A 105 24.775 -2.329 3.489 1.00 2.34 C ATOM 1786 OE1 GLN A 105 24.674 -3.407 4.065 1.00 35.04 O ATOM 1787 NE2 GLN A 105 25.590 -1.402 3.961 1.00 3.01 N ATOM 0 H GLN A 105 21.999 -3.386 0.940 1.00 14.34 H new ATOM 0 HA GLN A 105 23.527 -1.420 -0.356 1.00 24.32 H new ATOM 0 HB2 GLN A 105 24.282 -3.897 1.243 1.00 3.52 H new ATOM 0 HB3 GLN A 105 25.411 -2.638 0.784 1.00 3.52 H new ATOM 0 HG2 GLN A 105 24.042 -0.952 2.016 1.00 44.01 H new ATOM 0 HG3 GLN A 105 22.896 -2.200 2.462 1.00 44.01 H new ATOM 0 HE21 GLN A 105 25.674 -0.505 3.482 1.00 3.01 H new ATOM 0 HE22 GLN A 105 26.135 -1.583 4.804 1.00 3.01 H new ATOM 1796 N GLN A 106 25.020 -2.554 -2.099 1.00 52.33 N ATOM 1797 CA GLN A 106 25.532 -2.958 -3.397 1.00 11.21 C ATOM 1798 C GLN A 106 27.037 -2.744 -3.419 1.00 2.01 C ATOM 1799 O GLN A 106 27.545 -1.825 -2.764 1.00 54.13 O ATOM 1800 CB GLN A 106 24.803 -2.165 -4.502 1.00 23.02 C ATOM 1801 CG GLN A 106 24.073 -3.081 -5.494 1.00 32.41 C ATOM 1802 CD GLN A 106 22.771 -2.462 -5.992 1.00 50.04 C ATOM 1803 OE1 GLN A 106 22.659 -1.978 -7.118 1.00 40.21 O ATOM 1804 NE2 GLN A 106 21.733 -2.469 -5.167 1.00 32.23 N ATOM 0 H GLN A 106 25.502 -1.745 -1.707 1.00 52.33 H new ATOM 0 HA GLN A 106 25.345 -4.016 -3.582 1.00 11.21 H new ATOM 0 HB2 GLN A 106 24.085 -1.485 -4.044 1.00 23.02 H new ATOM 0 HB3 GLN A 106 25.524 -1.551 -5.041 1.00 23.02 H new ATOM 0 HG2 GLN A 106 24.724 -3.288 -6.343 1.00 32.41 H new ATOM 0 HG3 GLN A 106 23.860 -4.037 -5.016 1.00 32.41 H new ATOM 0 HE21 GLN A 106 21.826 -2.870 -4.234 1.00 32.23 H new ATOM 0 HE22 GLN A 106 20.842 -2.073 -5.466 1.00 32.23 H new ATOM 1813 N ASN A 107 27.722 -3.599 -4.181 1.00 32.25 N ATOM 1814 CA ASN A 107 29.130 -3.947 -3.996 1.00 60.35 C ATOM 1815 C ASN A 107 29.408 -4.335 -2.531 1.00 23.12 C ATOM 1816 O ASN A 107 28.460 -4.637 -1.798 1.00 75.20 O ATOM 1817 CB ASN A 107 30.037 -2.833 -4.545 1.00 44.30 C ATOM 1818 CG ASN A 107 31.346 -3.367 -5.110 1.00 2.23 C ATOM 1819 OD1 ASN A 107 31.733 -4.513 -4.879 1.00 42.51 O ATOM 1820 ND2 ASN A 107 32.042 -2.560 -5.886 1.00 50.11 N ATOM 0 H ASN A 107 27.296 -4.084 -4.971 1.00 32.25 H new ATOM 0 HA ASN A 107 29.371 -4.835 -4.580 1.00 60.35 H new ATOM 0 HB2 ASN A 107 29.505 -2.288 -5.325 1.00 44.30 H new ATOM 0 HB3 ASN A 107 30.253 -2.121 -3.749 1.00 44.30 H new ATOM 0 HD21 ASN A 107 32.915 -2.882 -6.305 1.00 50.11 H new ATOM 0 HD22 ASN A 107 31.708 -1.614 -6.068 1.00 50.11 H new ATOM 1827 N SER A 108 30.668 -4.424 -2.105 1.00 10.55 N ATOM 1828 CA SER A 108 31.022 -4.290 -0.694 1.00 41.44 C ATOM 1829 C SER A 108 31.406 -2.840 -0.468 1.00 63.20 C ATOM 1830 O SER A 108 31.390 -2.392 0.693 1.00 75.32 O ATOM 1831 CB SER A 108 32.204 -5.186 -0.304 1.00 45.42 C ATOM 1832 OG SER A 108 32.051 -6.508 -0.803 1.00 34.25 O ATOM 0 H SER A 108 31.464 -4.589 -2.722 1.00 10.55 H new ATOM 0 HA SER A 108 30.173 -4.594 -0.083 1.00 41.44 H new ATOM 0 HB2 SER A 108 33.129 -4.757 -0.690 1.00 45.42 H new ATOM 0 HB3 SER A 108 32.295 -5.216 0.782 1.00 45.42 H new ATOM 0 HG SER A 108 32.823 -7.050 -0.537 1.00 34.25 H new TER 1838 SER A 108