USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 61 GLN : amide:sc= -0.602 K(o=-11,f=-13) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -9.92! C(o=-11!,f=-11!) USER MOD Set 2.1: A 1 MET CE :methyl -108:sc= -0.426 (180deg=-0.457) USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -3.96! C(o=-6.1!,f=-4.4!) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.331 (180deg=0.0142) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 9 SER OG : rot -96:sc= 0.964 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.113 (180deg=-0.187) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -1.26! (180deg=-3.04!) USER MOD Single : A 25 SER OG : rot 26:sc= 1.3 USER MOD Single : A 26 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.03) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 TYR OH : rot -35:sc= 0.109 USER MOD Single : A 34 GLN : amide:sc= 0.137 K(o=0.14,f=-7.9!) USER MOD Single : A 35 TYR OH : rot 157:sc= 0.997 USER MOD Single : A 44 THR OG1 : rot 127:sc= 1.3 USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.152 (180deg=-2.84!) USER MOD Single : A 49 GLN : amide:sc= -0.569! C(o=-0.57!,f=-2!) USER MOD Single : A 50 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0417 (180deg=-0.436) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= 0.856 (180deg=0.506) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= -2.76! (180deg=-4.94!) USER MOD Single : A 82 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.349 -4.245 7.520 1.00 2.06 N ATOM 2 CA MET A 1 -9.107 -3.807 6.116 1.00 1.53 C ATOM 3 C MET A 1 -7.698 -4.246 5.708 1.00 1.31 C ATOM 4 O MET A 1 -6.829 -4.265 6.552 1.00 1.47 O ATOM 5 CB MET A 1 -9.179 -2.280 6.022 1.00 1.49 C ATOM 6 CG MET A 1 -10.627 -1.806 6.189 1.00 2.42 C ATOM 7 SD MET A 1 -10.902 -0.019 6.136 1.00 2.58 S ATOM 8 CE MET A 1 -10.387 0.240 4.419 1.00 1.53 C ATOM 0 H1 MET A 1 -10.199 -3.773 7.889 1.00 2.06 H new ATOM 0 H2 MET A 1 -9.487 -5.276 7.543 1.00 2.06 H new ATOM 0 H3 MET A 1 -8.530 -3.992 8.109 1.00 2.06 H new ATOM 0 HA MET A 1 -9.861 -4.249 5.465 1.00 1.53 H new ATOM 0 HB2 MET A 1 -8.551 -1.831 6.792 1.00 1.49 H new ATOM 0 HB3 MET A 1 -8.789 -1.949 5.059 1.00 1.49 H new ATOM 0 HG2 MET A 1 -11.229 -2.267 5.406 1.00 2.42 H new ATOM 0 HG3 MET A 1 -11.001 -2.181 7.142 1.00 2.42 H new ATOM 0 HE1 MET A 1 -9.425 0.753 4.401 1.00 1.53 H new ATOM 0 HE2 MET A 1 -10.294 -0.723 3.918 1.00 1.53 H new ATOM 0 HE3 MET A 1 -11.131 0.847 3.904 1.00 1.53 H new ATOM 18 N GLN A 2 -7.477 -4.562 4.451 1.00 1.10 N ATOM 19 CA GLN A 2 -6.109 -4.988 4.040 1.00 1.02 C ATOM 20 C GLN A 2 -5.490 -4.009 3.034 1.00 1.02 C ATOM 21 O GLN A 2 -6.180 -3.244 2.394 1.00 1.67 O ATOM 22 CB GLN A 2 -6.192 -6.365 3.368 1.00 1.07 C ATOM 23 CG GLN A 2 -4.764 -6.893 3.155 1.00 2.19 C ATOM 24 CD GLN A 2 -4.746 -8.155 2.293 1.00 3.24 C ATOM 25 OE1 GLN A 2 -5.861 -8.685 1.895 1.00 4.44 O flip ATOM 26 NE2 GLN A 2 -3.698 -8.659 1.948 1.00 3.66 N flip ATOM 0 H GLN A 2 -8.175 -4.543 3.707 1.00 1.10 H new ATOM 0 HA GLN A 2 -5.487 -5.017 4.935 1.00 1.02 H new ATOM 0 HB2 GLN A 2 -6.762 -7.056 3.989 1.00 1.07 H new ATOM 0 HB3 GLN A 2 -6.714 -6.290 2.414 1.00 1.07 H new ATOM 0 HG2 GLN A 2 -4.158 -6.121 2.681 1.00 2.19 H new ATOM 0 HG3 GLN A 2 -4.308 -7.107 4.122 1.00 2.19 H new ATOM 0 HE21 GLN A 2 -2.813 -8.254 2.253 1.00 3.66 H new ATOM 0 HE22 GLN A 2 -3.702 -9.488 1.353 1.00 3.66 H new ATOM 35 N THR A 3 -4.184 -4.011 2.951 1.00 0.63 N ATOM 36 CA THR A 3 -3.481 -3.141 1.962 1.00 0.57 C ATOM 37 C THR A 3 -2.225 -3.873 1.442 1.00 0.57 C ATOM 38 O THR A 3 -1.405 -4.313 2.216 1.00 0.75 O ATOM 39 CB THR A 3 -3.121 -1.828 2.658 1.00 0.80 C ATOM 40 OG1 THR A 3 -4.379 -1.246 3.007 1.00 0.89 O ATOM 41 CG2 THR A 3 -2.478 -0.833 1.686 1.00 0.90 C ATOM 0 H THR A 3 -3.570 -4.583 3.531 1.00 0.63 H new ATOM 0 HA THR A 3 -4.117 -2.923 1.104 1.00 0.57 H new ATOM 0 HB THR A 3 -2.439 -2.022 3.486 1.00 0.80 H new ATOM 0 HG1 THR A 3 -4.229 -0.392 3.464 1.00 0.89 H new ATOM 0 HG21 THR A 3 -2.236 0.088 2.216 1.00 0.90 H new ATOM 0 HG22 THR A 3 -1.566 -1.265 1.273 1.00 0.90 H new ATOM 0 HG23 THR A 3 -3.174 -0.614 0.876 1.00 0.90 H new ATOM 49 N VAL A 4 -2.088 -3.969 0.140 1.00 0.49 N ATOM 50 CA VAL A 4 -0.905 -4.679 -0.463 1.00 0.60 C ATOM 51 C VAL A 4 -0.181 -3.721 -1.405 1.00 0.51 C ATOM 52 O VAL A 4 -0.810 -3.005 -2.174 1.00 0.48 O ATOM 53 CB VAL A 4 -1.382 -5.914 -1.250 1.00 0.77 C ATOM 54 CG1 VAL A 4 -0.161 -6.713 -1.730 1.00 0.95 C ATOM 55 CG2 VAL A 4 -2.240 -6.820 -0.354 1.00 0.96 C ATOM 0 H VAL A 4 -2.747 -3.585 -0.538 1.00 0.49 H new ATOM 0 HA VAL A 4 -0.229 -5.003 0.329 1.00 0.60 H new ATOM 0 HB VAL A 4 -1.976 -5.579 -2.100 1.00 0.77 H new ATOM 0 HG11 VAL A 4 -0.495 -7.588 -2.288 1.00 0.95 H new ATOM 0 HG12 VAL A 4 0.454 -6.085 -2.375 1.00 0.95 H new ATOM 0 HG13 VAL A 4 0.425 -7.034 -0.869 1.00 0.95 H new ATOM 0 HG21 VAL A 4 -2.570 -7.689 -0.924 1.00 0.96 H new ATOM 0 HG22 VAL A 4 -1.650 -7.150 0.501 1.00 0.96 H new ATOM 0 HG23 VAL A 4 -3.110 -6.265 -0.002 1.00 0.96 H new ATOM 65 N ILE A 5 1.121 -3.732 -1.317 1.00 0.53 N ATOM 66 CA ILE A 5 1.941 -2.844 -2.199 1.00 0.47 C ATOM 67 C ILE A 5 2.735 -3.726 -3.161 1.00 0.50 C ATOM 68 O ILE A 5 3.391 -4.644 -2.721 1.00 0.58 O ATOM 69 CB ILE A 5 2.916 -2.024 -1.333 1.00 0.54 C ATOM 70 CG1 ILE A 5 2.165 -1.333 -0.173 1.00 0.64 C ATOM 71 CG2 ILE A 5 3.615 -0.977 -2.219 1.00 0.52 C ATOM 72 CD1 ILE A 5 1.170 -0.302 -0.713 1.00 1.72 C ATOM 0 H ILE A 5 1.655 -4.316 -0.674 1.00 0.53 H new ATOM 0 HA ILE A 5 1.296 -2.163 -2.755 1.00 0.47 H new ATOM 0 HB ILE A 5 3.661 -2.691 -0.899 1.00 0.54 H new ATOM 0 HG12 ILE A 5 1.637 -2.079 0.421 1.00 0.64 H new ATOM 0 HG13 ILE A 5 2.879 -0.845 0.490 1.00 0.64 H new ATOM 0 HG21 ILE A 5 4.307 -0.392 -1.614 1.00 0.52 H new ATOM 0 HG22 ILE A 5 4.165 -1.481 -3.014 1.00 0.52 H new ATOM 0 HG23 ILE A 5 2.868 -0.315 -2.658 1.00 0.52 H new ATOM 0 HD11 ILE A 5 0.651 0.174 0.119 1.00 1.72 H new ATOM 0 HD12 ILE A 5 1.705 0.454 -1.287 1.00 1.72 H new ATOM 0 HD13 ILE A 5 0.444 -0.799 -1.356 1.00 1.72 H new ATOM 84 N PHE A 6 2.686 -3.402 -4.429 1.00 0.52 N ATOM 85 CA PHE A 6 3.421 -4.207 -5.453 1.00 0.57 C ATOM 86 C PHE A 6 4.627 -3.419 -5.968 1.00 0.56 C ATOM 87 O PHE A 6 4.463 -2.545 -6.800 1.00 0.67 O ATOM 88 CB PHE A 6 2.479 -4.499 -6.637 1.00 0.60 C ATOM 89 CG PHE A 6 1.331 -5.419 -6.208 1.00 0.70 C ATOM 90 CD1 PHE A 6 0.359 -4.975 -5.330 1.00 1.05 C ATOM 91 CD2 PHE A 6 1.256 -6.712 -6.689 1.00 0.75 C ATOM 92 CE1 PHE A 6 -0.669 -5.807 -4.941 1.00 1.23 C ATOM 93 CE2 PHE A 6 0.230 -7.543 -6.297 1.00 0.90 C ATOM 94 CZ PHE A 6 -0.732 -7.093 -5.424 1.00 1.07 C ATOM 0 H PHE A 6 2.164 -2.608 -4.801 1.00 0.52 H new ATOM 0 HA PHE A 6 3.760 -5.138 -5.000 1.00 0.57 H new ATOM 0 HB2 PHE A 6 2.075 -3.564 -7.025 1.00 0.60 H new ATOM 0 HB3 PHE A 6 3.040 -4.965 -7.447 1.00 0.60 H new ATOM 0 HD1 PHE A 6 0.406 -3.967 -4.945 1.00 1.05 H new ATOM 0 HD2 PHE A 6 2.006 -7.073 -7.377 1.00 0.75 H new ATOM 0 HE1 PHE A 6 -1.425 -5.449 -4.257 1.00 1.23 H new ATOM 0 HE2 PHE A 6 0.181 -8.553 -6.677 1.00 0.90 H new ATOM 0 HZ PHE A 6 -1.535 -7.748 -5.118 1.00 1.07 H new ATOM 104 N GLY A 7 5.789 -3.693 -5.431 1.00 0.58 N ATOM 105 CA GLY A 7 7.013 -2.957 -5.892 1.00 0.63 C ATOM 106 C GLY A 7 8.140 -3.963 -6.111 1.00 0.77 C ATOM 107 O GLY A 7 7.894 -5.056 -6.568 1.00 0.90 O ATOM 0 H GLY A 7 5.946 -4.387 -4.700 1.00 0.58 H new ATOM 0 HA2 GLY A 7 6.803 -2.418 -6.816 1.00 0.63 H new ATOM 0 HA3 GLY A 7 7.309 -2.215 -5.150 1.00 0.63 H new ATOM 111 N ARG A 8 9.339 -3.590 -5.763 1.00 0.97 N ATOM 112 CA ARG A 8 10.496 -4.518 -5.949 1.00 1.23 C ATOM 113 C ARG A 8 11.096 -4.859 -4.577 1.00 1.72 C ATOM 114 O ARG A 8 10.687 -4.313 -3.557 1.00 2.75 O ATOM 115 CB ARG A 8 11.544 -3.809 -6.832 1.00 1.74 C ATOM 116 CG ARG A 8 12.596 -4.797 -7.377 1.00 2.61 C ATOM 117 CD ARG A 8 13.935 -4.626 -6.627 1.00 4.01 C ATOM 118 NE ARG A 8 14.434 -3.217 -6.789 1.00 4.11 N ATOM 119 CZ ARG A 8 15.616 -3.024 -7.286 1.00 4.89 C ATOM 120 NH1 ARG A 8 15.818 -3.396 -8.511 1.00 5.17 N ATOM 121 NH2 ARG A 8 16.544 -2.514 -6.535 1.00 6.17 N ATOM 0 H ARG A 8 9.571 -2.683 -5.358 1.00 0.97 H new ATOM 0 HA ARG A 8 10.177 -5.443 -6.429 1.00 1.23 H new ATOM 0 HB2 ARG A 8 11.043 -3.315 -7.665 1.00 1.74 H new ATOM 0 HB3 ARG A 8 12.041 -3.031 -6.252 1.00 1.74 H new ATOM 0 HG2 ARG A 8 12.237 -5.820 -7.264 1.00 2.61 H new ATOM 0 HG3 ARG A 8 12.745 -4.628 -8.443 1.00 2.61 H new ATOM 0 HD2 ARG A 8 13.802 -4.855 -5.570 1.00 4.01 H new ATOM 0 HD3 ARG A 8 14.672 -5.329 -7.015 1.00 4.01 H new ATOM 0 HE ARG A 8 13.852 -2.426 -6.513 1.00 4.11 H new ATOM 0 HH11 ARG A 8 15.061 -3.823 -9.046 1.00 5.17 H new ATOM 0 HH12 ARG A 8 16.734 -3.262 -8.940 1.00 5.17 H new ATOM 0 HH21 ARG A 8 16.339 -2.270 -5.566 1.00 6.17 H new ATOM 0 HH22 ARG A 8 17.478 -2.357 -6.914 1.00 6.17 H new ATOM 135 N SER A 9 12.077 -5.718 -4.598 1.00 2.12 N ATOM 136 CA SER A 9 12.767 -6.145 -3.348 1.00 2.72 C ATOM 137 C SER A 9 13.854 -5.123 -2.953 1.00 2.85 C ATOM 138 O SER A 9 15.038 -5.424 -2.926 1.00 3.50 O ATOM 139 CB SER A 9 13.385 -7.539 -3.599 1.00 3.07 C ATOM 140 OG SER A 9 13.407 -7.703 -5.027 1.00 3.56 O ATOM 0 H SER A 9 12.437 -6.151 -5.448 1.00 2.12 H new ATOM 0 HA SER A 9 12.057 -6.197 -2.523 1.00 2.72 H new ATOM 0 HB2 SER A 9 14.390 -7.603 -3.182 1.00 3.07 H new ATOM 0 HB3 SER A 9 12.793 -8.321 -3.124 1.00 3.07 H new ATOM 0 HG SER A 9 12.618 -8.211 -5.310 1.00 3.56 H new ATOM 146 N GLY A 10 13.432 -3.912 -2.686 1.00 2.83 N ATOM 147 CA GLY A 10 14.422 -2.865 -2.286 1.00 3.29 C ATOM 148 C GLY A 10 14.588 -1.830 -3.391 1.00 2.95 C ATOM 149 O GLY A 10 15.599 -1.802 -4.073 1.00 3.30 O ATOM 0 H GLY A 10 12.460 -3.606 -2.727 1.00 2.83 H new ATOM 0 HA2 GLY A 10 14.091 -2.376 -1.370 1.00 3.29 H new ATOM 0 HA3 GLY A 10 15.384 -3.331 -2.070 1.00 3.29 H new ATOM 153 N CYS A 11 13.556 -1.060 -3.601 1.00 2.52 N ATOM 154 CA CYS A 11 13.603 0.007 -4.641 1.00 2.33 C ATOM 155 C CYS A 11 13.385 1.347 -3.937 1.00 2.18 C ATOM 156 O CYS A 11 12.320 1.574 -3.408 1.00 2.26 O ATOM 157 CB CYS A 11 12.482 -0.223 -5.658 1.00 2.10 C ATOM 158 SG CYS A 11 11.132 -1.312 -5.157 1.00 2.17 S ATOM 0 H CYS A 11 12.674 -1.125 -3.092 1.00 2.52 H new ATOM 0 HA CYS A 11 14.560 -0.004 -5.162 1.00 2.33 H new ATOM 0 HB2 CYS A 11 12.057 0.746 -5.918 1.00 2.10 H new ATOM 0 HB3 CYS A 11 12.927 -0.630 -6.566 1.00 2.10 H new ATOM 163 N PRO A 12 14.397 2.200 -3.909 1.00 2.34 N ATOM 164 CA PRO A 12 14.351 3.458 -3.126 1.00 2.32 C ATOM 165 C PRO A 12 12.968 4.124 -3.135 1.00 2.15 C ATOM 166 O PRO A 12 12.442 4.455 -2.090 1.00 2.47 O ATOM 167 CB PRO A 12 15.422 4.336 -3.778 1.00 2.73 C ATOM 168 CG PRO A 12 16.427 3.354 -4.420 1.00 3.24 C ATOM 169 CD PRO A 12 15.649 2.052 -4.700 1.00 2.86 C ATOM 0 HA PRO A 12 14.539 3.283 -2.067 1.00 2.32 H new ATOM 0 HB2 PRO A 12 14.985 4.996 -4.527 1.00 2.73 H new ATOM 0 HB3 PRO A 12 15.911 4.971 -3.040 1.00 2.73 H new ATOM 0 HG2 PRO A 12 16.838 3.766 -5.342 1.00 3.24 H new ATOM 0 HG3 PRO A 12 17.268 3.167 -3.752 1.00 3.24 H new ATOM 0 HD2 PRO A 12 15.438 1.935 -5.763 1.00 2.86 H new ATOM 0 HD3 PRO A 12 16.216 1.174 -4.389 1.00 2.86 H new ATOM 177 N TYR A 13 12.397 4.298 -4.301 1.00 2.01 N ATOM 178 CA TYR A 13 11.052 4.957 -4.342 1.00 1.99 C ATOM 179 C TYR A 13 9.971 4.060 -3.731 1.00 1.68 C ATOM 180 O TYR A 13 9.214 4.506 -2.890 1.00 1.96 O ATOM 181 CB TYR A 13 10.668 5.297 -5.790 1.00 2.15 C ATOM 182 CG TYR A 13 9.445 6.239 -5.786 1.00 1.71 C ATOM 183 CD1 TYR A 13 9.495 7.453 -5.119 1.00 2.38 C ATOM 184 CD2 TYR A 13 8.280 5.900 -6.456 1.00 1.81 C ATOM 185 CE1 TYR A 13 8.410 8.305 -5.122 1.00 2.57 C ATOM 186 CE2 TYR A 13 7.195 6.760 -6.457 1.00 1.95 C ATOM 187 CZ TYR A 13 7.253 7.971 -5.792 1.00 2.10 C ATOM 188 OH TYR A 13 6.179 8.842 -5.806 1.00 2.68 O ATOM 0 H TYR A 13 12.788 4.022 -5.202 1.00 2.01 H new ATOM 0 HA TYR A 13 11.118 5.872 -3.754 1.00 1.99 H new ATOM 0 HB2 TYR A 13 11.506 5.773 -6.298 1.00 2.15 H new ATOM 0 HB3 TYR A 13 10.437 4.385 -6.341 1.00 2.15 H new ATOM 0 HD1 TYR A 13 10.394 7.735 -4.591 1.00 2.38 H new ATOM 0 HD2 TYR A 13 8.218 4.958 -6.981 1.00 1.81 H new ATOM 0 HE1 TYR A 13 8.468 9.245 -4.593 1.00 2.57 H new ATOM 0 HE2 TYR A 13 6.294 6.482 -6.983 1.00 1.95 H new ATOM 0 HH TYR A 13 5.446 8.449 -6.325 1.00 2.68 H new ATOM 198 N CYS A 14 9.926 2.806 -4.111 1.00 1.27 N ATOM 199 CA CYS A 14 8.852 1.933 -3.535 1.00 1.12 C ATOM 200 C CYS A 14 8.955 1.904 -2.012 1.00 1.02 C ATOM 201 O CYS A 14 7.957 1.989 -1.310 1.00 1.19 O ATOM 202 CB CYS A 14 8.976 0.502 -4.058 1.00 1.05 C ATOM 203 SG CYS A 14 10.385 -0.477 -3.484 1.00 2.89 S ATOM 0 H CYS A 14 10.562 2.359 -4.772 1.00 1.27 H new ATOM 0 HA CYS A 14 7.890 2.348 -3.837 1.00 1.12 H new ATOM 0 HB2 CYS A 14 8.064 -0.033 -3.793 1.00 1.05 H new ATOM 0 HB3 CYS A 14 9.016 0.544 -5.146 1.00 1.05 H new ATOM 208 N VAL A 15 10.170 1.793 -1.542 1.00 0.90 N ATOM 209 CA VAL A 15 10.413 1.743 -0.069 1.00 0.91 C ATOM 210 C VAL A 15 9.566 2.796 0.659 1.00 1.02 C ATOM 211 O VAL A 15 9.214 2.618 1.807 1.00 1.35 O ATOM 212 CB VAL A 15 11.916 1.948 0.194 1.00 1.00 C ATOM 213 CG1 VAL A 15 12.185 2.050 1.705 1.00 1.13 C ATOM 214 CG2 VAL A 15 12.673 0.721 -0.343 1.00 1.05 C ATOM 0 H VAL A 15 11.009 1.734 -2.118 1.00 0.90 H new ATOM 0 HA VAL A 15 10.114 0.770 0.320 1.00 0.91 H new ATOM 0 HB VAL A 15 12.244 2.865 -0.296 1.00 1.00 H new ATOM 0 HG11 VAL A 15 13.252 2.195 1.876 1.00 1.13 H new ATOM 0 HG12 VAL A 15 11.634 2.895 2.116 1.00 1.13 H new ATOM 0 HG13 VAL A 15 11.860 1.132 2.195 1.00 1.13 H new ATOM 0 HG21 VAL A 15 13.741 0.846 -0.166 1.00 1.05 H new ATOM 0 HG22 VAL A 15 12.323 -0.175 0.169 1.00 1.05 H new ATOM 0 HG23 VAL A 15 12.492 0.621 -1.413 1.00 1.05 H new ATOM 224 N ARG A 16 9.218 3.857 -0.019 1.00 0.81 N ATOM 225 CA ARG A 16 8.393 4.884 0.636 1.00 0.97 C ATOM 226 C ARG A 16 6.955 4.371 0.768 1.00 0.94 C ATOM 227 O ARG A 16 6.382 4.433 1.835 1.00 1.50 O ATOM 228 CB ARG A 16 8.491 6.146 -0.213 1.00 1.16 C ATOM 229 CG ARG A 16 7.643 7.256 0.392 1.00 1.88 C ATOM 230 CD ARG A 16 7.902 7.408 1.906 1.00 2.39 C ATOM 231 NE ARG A 16 9.378 7.425 2.191 1.00 2.32 N ATOM 232 CZ ARG A 16 9.872 6.605 3.078 1.00 3.21 C ATOM 233 NH1 ARG A 16 9.510 6.718 4.315 1.00 3.98 N ATOM 234 NH2 ARG A 16 10.702 5.688 2.700 1.00 4.31 N ATOM 0 H ARG A 16 9.472 4.046 -0.989 1.00 0.81 H new ATOM 0 HA ARG A 16 8.738 5.110 1.645 1.00 0.97 H new ATOM 0 HB2 ARG A 16 9.530 6.468 -0.280 1.00 1.16 H new ATOM 0 HB3 ARG A 16 8.157 5.936 -1.229 1.00 1.16 H new ATOM 0 HG2 ARG A 16 7.862 8.198 -0.112 1.00 1.88 H new ATOM 0 HG3 ARG A 16 6.588 7.042 0.223 1.00 1.88 H new ATOM 0 HD2 ARG A 16 7.446 8.329 2.268 1.00 2.39 H new ATOM 0 HD3 ARG A 16 7.431 6.586 2.445 1.00 2.39 H new ATOM 0 HE ARG A 16 9.989 8.073 1.694 1.00 2.32 H new ATOM 0 HH11 ARG A 16 8.845 7.442 4.588 1.00 3.98 H new ATOM 0 HH12 ARG A 16 9.889 6.083 5.017 1.00 3.98 H new ATOM 0 HH21 ARG A 16 10.964 5.611 1.717 1.00 4.31 H new ATOM 0 HH22 ARG A 16 11.094 5.042 3.385 1.00 4.31 H new ATOM 248 N ALA A 17 6.394 3.882 -0.311 1.00 0.73 N ATOM 249 CA ALA A 17 5.005 3.321 -0.230 1.00 0.71 C ATOM 250 C ALA A 17 5.019 2.288 0.898 1.00 0.66 C ATOM 251 O ALA A 17 4.108 2.205 1.707 1.00 0.70 O ATOM 252 CB ALA A 17 4.656 2.639 -1.556 1.00 0.80 C ATOM 0 H ALA A 17 6.829 3.846 -1.233 1.00 0.73 H new ATOM 0 HA ALA A 17 4.267 4.100 -0.040 1.00 0.71 H new ATOM 0 HB1 ALA A 17 3.647 2.230 -1.500 1.00 0.80 H new ATOM 0 HB2 ALA A 17 4.708 3.368 -2.365 1.00 0.80 H new ATOM 0 HB3 ALA A 17 5.364 1.833 -1.748 1.00 0.80 H new ATOM 258 N LYS A 18 6.095 1.530 0.915 1.00 0.70 N ATOM 259 CA LYS A 18 6.254 0.494 1.963 1.00 0.77 C ATOM 260 C LYS A 18 6.132 1.169 3.324 1.00 0.65 C ATOM 261 O LYS A 18 5.285 0.808 4.097 1.00 0.75 O ATOM 262 CB LYS A 18 7.629 -0.175 1.791 1.00 0.89 C ATOM 263 CG LYS A 18 7.965 -1.092 2.980 1.00 1.01 C ATOM 264 CD LYS A 18 8.677 -0.287 4.077 1.00 1.13 C ATOM 265 CE LYS A 18 9.180 -1.252 5.158 1.00 1.47 C ATOM 266 NZ LYS A 18 9.557 -0.521 6.408 1.00 2.13 N ATOM 0 H LYS A 18 6.862 1.592 0.245 1.00 0.70 H new ATOM 0 HA LYS A 18 5.486 -0.275 1.882 1.00 0.77 H new ATOM 0 HB2 LYS A 18 7.639 -0.756 0.869 1.00 0.89 H new ATOM 0 HB3 LYS A 18 8.398 0.592 1.693 1.00 0.89 H new ATOM 0 HG2 LYS A 18 7.052 -1.536 3.377 1.00 1.01 H new ATOM 0 HG3 LYS A 18 8.601 -1.913 2.649 1.00 1.01 H new ATOM 0 HD2 LYS A 18 9.512 0.271 3.653 1.00 1.13 H new ATOM 0 HD3 LYS A 18 7.994 0.443 4.512 1.00 1.13 H new ATOM 0 HE2 LYS A 18 8.405 -1.985 5.383 1.00 1.47 H new ATOM 0 HE3 LYS A 18 10.042 -1.804 4.783 1.00 1.47 H new ATOM 0 HZ1 LYS A 18 9.402 -1.138 7.231 1.00 2.13 H new ATOM 0 HZ2 LYS A 18 10.560 -0.250 6.363 1.00 2.13 H new ATOM 0 HZ3 LYS A 18 8.971 0.333 6.501 1.00 2.13 H new ATOM 280 N ASP A 19 6.991 2.125 3.591 1.00 0.64 N ATOM 281 CA ASP A 19 6.908 2.821 4.897 1.00 0.70 C ATOM 282 C ASP A 19 5.505 3.369 5.109 1.00 0.61 C ATOM 283 O ASP A 19 4.916 3.094 6.107 1.00 0.76 O ATOM 284 CB ASP A 19 7.932 3.961 4.944 1.00 0.94 C ATOM 285 CG ASP A 19 9.346 3.415 5.203 1.00 2.40 C ATOM 286 OD1 ASP A 19 9.445 2.311 5.740 1.00 3.70 O ATOM 287 OD2 ASP A 19 10.257 4.169 4.882 1.00 3.14 O ATOM 0 H ASP A 19 7.732 2.444 2.967 1.00 0.64 H new ATOM 0 HA ASP A 19 7.130 2.111 5.693 1.00 0.70 H new ATOM 0 HB2 ASP A 19 7.916 4.509 4.002 1.00 0.94 H new ATOM 0 HB3 ASP A 19 7.661 4.667 5.729 1.00 0.94 H new ATOM 292 N LEU A 20 5.004 4.127 4.180 1.00 0.61 N ATOM 293 CA LEU A 20 3.629 4.679 4.359 1.00 0.60 C ATOM 294 C LEU A 20 2.669 3.578 4.836 1.00 0.56 C ATOM 295 O LEU A 20 2.143 3.654 5.932 1.00 0.61 O ATOM 296 CB LEU A 20 3.141 5.278 3.029 1.00 0.72 C ATOM 297 CG LEU A 20 1.684 5.776 3.149 1.00 0.74 C ATOM 298 CD1 LEU A 20 1.557 6.798 4.292 1.00 0.84 C ATOM 299 CD2 LEU A 20 1.275 6.451 1.835 1.00 0.91 C ATOM 0 H LEU A 20 5.476 4.388 3.314 1.00 0.61 H new ATOM 0 HA LEU A 20 3.652 5.462 5.117 1.00 0.60 H new ATOM 0 HB2 LEU A 20 3.789 6.105 2.739 1.00 0.72 H new ATOM 0 HB3 LEU A 20 3.209 4.528 2.241 1.00 0.72 H new ATOM 0 HG LEU A 20 1.037 4.924 3.358 1.00 0.74 H new ATOM 0 HD11 LEU A 20 0.524 7.139 4.362 1.00 0.84 H new ATOM 0 HD12 LEU A 20 1.850 6.331 5.232 1.00 0.84 H new ATOM 0 HD13 LEU A 20 2.207 7.650 4.092 1.00 0.84 H new ATOM 0 HD21 LEU A 20 0.247 6.805 1.912 1.00 0.91 H new ATOM 0 HD22 LEU A 20 1.936 7.295 1.639 1.00 0.91 H new ATOM 0 HD23 LEU A 20 1.351 5.733 1.018 1.00 0.91 H new ATOM 311 N ALA A 21 2.513 2.550 4.040 1.00 0.59 N ATOM 312 CA ALA A 21 1.581 1.462 4.445 1.00 0.69 C ATOM 313 C ALA A 21 2.036 0.807 5.749 1.00 0.80 C ATOM 314 O ALA A 21 1.291 0.795 6.701 1.00 0.78 O ATOM 315 CB ALA A 21 1.497 0.402 3.342 1.00 0.94 C ATOM 0 H ALA A 21 2.983 2.420 3.144 1.00 0.59 H new ATOM 0 HA ALA A 21 0.597 1.903 4.602 1.00 0.69 H new ATOM 0 HB1 ALA A 21 0.813 -0.389 3.649 1.00 0.94 H new ATOM 0 HB2 ALA A 21 1.132 0.861 2.423 1.00 0.94 H new ATOM 0 HB3 ALA A 21 2.486 -0.021 3.168 1.00 0.94 H new ATOM 321 N GLU A 22 3.248 0.332 5.796 1.00 1.03 N ATOM 322 CA GLU A 22 3.725 -0.337 7.043 1.00 1.34 C ATOM 323 C GLU A 22 3.500 0.554 8.260 1.00 1.31 C ATOM 324 O GLU A 22 2.888 0.160 9.233 1.00 1.39 O ATOM 325 CB GLU A 22 5.216 -0.628 6.924 1.00 1.66 C ATOM 326 CG GLU A 22 5.682 -1.325 8.209 1.00 1.72 C ATOM 327 CD GLU A 22 7.151 -1.694 8.078 1.00 1.72 C ATOM 328 OE1 GLU A 22 7.405 -2.574 7.290 1.00 2.80 O ATOM 329 OE2 GLU A 22 7.947 -1.040 8.722 1.00 1.71 O ATOM 0 H GLU A 22 3.925 0.376 5.035 1.00 1.03 H new ATOM 0 HA GLU A 22 3.163 -1.262 7.170 1.00 1.34 H new ATOM 0 HB2 GLU A 22 5.410 -1.261 6.058 1.00 1.66 H new ATOM 0 HB3 GLU A 22 5.771 0.298 6.773 1.00 1.66 H new ATOM 0 HG2 GLU A 22 5.536 -0.668 9.066 1.00 1.72 H new ATOM 0 HG3 GLU A 22 5.085 -2.220 8.388 1.00 1.72 H new ATOM 336 N LYS A 23 4.056 1.728 8.173 1.00 1.37 N ATOM 337 CA LYS A 23 3.929 2.712 9.273 1.00 1.57 C ATOM 338 C LYS A 23 2.486 2.743 9.718 1.00 1.38 C ATOM 339 O LYS A 23 2.208 2.512 10.862 1.00 1.61 O ATOM 340 CB LYS A 23 4.355 4.105 8.790 1.00 1.70 C ATOM 341 CG LYS A 23 4.270 5.095 9.965 1.00 1.87 C ATOM 342 CD LYS A 23 4.725 6.487 9.510 1.00 2.32 C ATOM 343 CE LYS A 23 4.535 7.506 10.646 1.00 3.23 C ATOM 344 NZ LYS A 23 5.359 7.160 11.843 1.00 4.52 N ATOM 0 H LYS A 23 4.601 2.049 7.373 1.00 1.37 H new ATOM 0 HA LYS A 23 4.574 2.425 10.104 1.00 1.57 H new ATOM 0 HB2 LYS A 23 5.372 4.072 8.399 1.00 1.70 H new ATOM 0 HB3 LYS A 23 3.710 4.433 7.975 1.00 1.70 H new ATOM 0 HG2 LYS A 23 3.247 5.142 10.339 1.00 1.87 H new ATOM 0 HG3 LYS A 23 4.895 4.750 10.788 1.00 1.87 H new ATOM 0 HD2 LYS A 23 5.773 6.455 9.212 1.00 2.32 H new ATOM 0 HD3 LYS A 23 4.153 6.796 8.635 1.00 2.32 H new ATOM 0 HE2 LYS A 23 4.807 8.500 10.292 1.00 3.23 H new ATOM 0 HE3 LYS A 23 3.483 7.545 10.928 1.00 3.23 H new ATOM 0 HZ1 LYS A 23 4.872 7.481 12.704 1.00 4.52 H new ATOM 0 HZ2 LYS A 23 5.494 6.130 11.885 1.00 4.52 H new ATOM 0 HZ3 LYS A 23 6.285 7.628 11.774 1.00 4.52 H new ATOM 358 N LEU A 24 1.595 3.023 8.806 1.00 1.04 N ATOM 359 CA LEU A 24 0.156 3.051 9.196 1.00 0.95 C ATOM 360 C LEU A 24 -0.244 1.714 9.816 1.00 0.92 C ATOM 361 O LEU A 24 -0.949 1.672 10.794 1.00 1.05 O ATOM 362 CB LEU A 24 -0.697 3.311 7.949 1.00 0.86 C ATOM 363 CG LEU A 24 -0.449 4.737 7.438 1.00 1.31 C ATOM 364 CD1 LEU A 24 -1.135 4.912 6.077 1.00 1.47 C ATOM 365 CD2 LEU A 24 -1.031 5.748 8.439 1.00 1.81 C ATOM 0 H LEU A 24 1.794 3.230 7.827 1.00 1.04 H new ATOM 0 HA LEU A 24 -0.004 3.843 9.927 1.00 0.95 H new ATOM 0 HB2 LEU A 24 -0.451 2.588 7.171 1.00 0.86 H new ATOM 0 HB3 LEU A 24 -1.753 3.178 8.185 1.00 0.86 H new ATOM 0 HG LEU A 24 0.622 4.908 7.333 1.00 1.31 H new ATOM 0 HD11 LEU A 24 -0.962 5.924 5.710 1.00 1.47 H new ATOM 0 HD12 LEU A 24 -0.725 4.193 5.368 1.00 1.47 H new ATOM 0 HD13 LEU A 24 -2.206 4.744 6.185 1.00 1.47 H new ATOM 0 HD21 LEU A 24 -0.855 6.761 8.077 1.00 1.81 H new ATOM 0 HD22 LEU A 24 -2.103 5.581 8.543 1.00 1.81 H new ATOM 0 HD23 LEU A 24 -0.548 5.620 9.408 1.00 1.81 H new ATOM 377 N SER A 25 0.157 0.660 9.181 1.00 0.93 N ATOM 378 CA SER A 25 -0.163 -0.702 9.698 1.00 1.23 C ATOM 379 C SER A 25 0.209 -0.829 11.184 1.00 1.53 C ATOM 380 O SER A 25 -0.594 -1.247 11.992 1.00 1.48 O ATOM 381 CB SER A 25 0.613 -1.737 8.866 1.00 1.53 C ATOM 382 OG SER A 25 -0.203 -2.908 8.868 1.00 2.22 O ATOM 0 H SER A 25 0.699 0.676 8.317 1.00 0.93 H new ATOM 0 HA SER A 25 -1.235 -0.878 9.610 1.00 1.23 H new ATOM 0 HB2 SER A 25 0.784 -1.378 7.851 1.00 1.53 H new ATOM 0 HB3 SER A 25 1.592 -1.938 9.302 1.00 1.53 H new ATOM 0 HG SER A 25 -1.140 -2.654 9.001 1.00 2.22 H new ATOM 388 N ASN A 26 1.410 -0.432 11.509 1.00 2.06 N ATOM 389 CA ASN A 26 1.867 -0.520 12.935 1.00 2.53 C ATOM 390 C ASN A 26 1.357 0.658 13.782 1.00 2.59 C ATOM 391 O ASN A 26 1.169 0.520 14.969 1.00 3.09 O ATOM 392 CB ASN A 26 3.402 -0.506 12.974 1.00 2.82 C ATOM 393 CG ASN A 26 3.861 -0.575 14.434 1.00 2.49 C ATOM 394 OD1 ASN A 26 3.770 -1.599 15.066 1.00 2.99 O ATOM 395 ND2 ASN A 26 4.340 0.483 15.019 1.00 2.92 N ATOM 0 H ASN A 26 2.095 -0.052 10.856 1.00 2.06 H new ATOM 0 HA ASN A 26 1.464 -1.444 13.350 1.00 2.53 H new ATOM 0 HB2 ASN A 26 3.801 -1.351 12.413 1.00 2.82 H new ATOM 0 HB3 ASN A 26 3.783 0.399 12.501 1.00 2.82 H new ATOM 0 HD21 ASN A 26 4.631 0.438 15.996 1.00 2.92 H new ATOM 0 HD22 ASN A 26 4.425 1.358 14.501 1.00 2.92 H new ATOM 402 N GLU A 27 1.151 1.778 13.156 1.00 2.40 N ATOM 403 CA GLU A 27 0.696 2.992 13.895 1.00 2.66 C ATOM 404 C GLU A 27 -0.812 3.249 13.742 1.00 2.41 C ATOM 405 O GLU A 27 -1.269 4.374 13.559 1.00 2.74 O ATOM 406 CB GLU A 27 1.501 4.170 13.337 1.00 3.08 C ATOM 407 CG GLU A 27 3.002 3.957 13.641 1.00 4.23 C ATOM 408 CD GLU A 27 3.811 5.221 13.334 1.00 4.87 C ATOM 409 OE1 GLU A 27 3.220 6.289 13.312 1.00 4.18 O ATOM 410 OE2 GLU A 27 5.006 5.068 13.140 1.00 6.46 O ATOM 0 H GLU A 27 1.279 1.910 12.153 1.00 2.40 H new ATOM 0 HA GLU A 27 0.864 2.855 14.963 1.00 2.66 H new ATOM 0 HB2 GLU A 27 1.345 4.254 12.262 1.00 3.08 H new ATOM 0 HB3 GLU A 27 1.157 5.103 13.783 1.00 3.08 H new ATOM 0 HG2 GLU A 27 3.129 3.686 14.689 1.00 4.23 H new ATOM 0 HG3 GLU A 27 3.382 3.125 13.048 1.00 4.23 H new ATOM 417 N ARG A 28 -1.572 2.201 13.817 1.00 2.35 N ATOM 418 CA ARG A 28 -3.045 2.367 13.709 1.00 2.17 C ATOM 419 C ARG A 28 -3.737 1.284 14.533 1.00 2.01 C ATOM 420 O ARG A 28 -3.256 0.916 15.589 1.00 2.72 O ATOM 421 CB ARG A 28 -3.463 2.320 12.219 1.00 2.20 C ATOM 422 CG ARG A 28 -4.843 2.991 11.988 1.00 2.13 C ATOM 423 CD ARG A 28 -4.722 4.530 11.948 1.00 2.26 C ATOM 424 NE ARG A 28 -4.221 5.034 13.263 1.00 3.77 N ATOM 425 CZ ARG A 28 -5.051 5.565 14.108 1.00 4.58 C ATOM 426 NH1 ARG A 28 -5.971 4.815 14.635 1.00 5.17 N ATOM 427 NH2 ARG A 28 -4.928 6.822 14.389 1.00 5.50 N ATOM 0 H ARG A 28 -1.244 1.244 13.947 1.00 2.35 H new ATOM 0 HA ARG A 28 -3.349 3.335 14.107 1.00 2.17 H new ATOM 0 HB2 ARG A 28 -2.708 2.822 11.613 1.00 2.20 H new ATOM 0 HB3 ARG A 28 -3.502 1.283 11.885 1.00 2.20 H new ATOM 0 HG2 ARG A 28 -5.271 2.634 11.051 1.00 2.13 H new ATOM 0 HG3 ARG A 28 -5.529 2.699 12.783 1.00 2.13 H new ATOM 0 HD2 ARG A 28 -4.042 4.830 11.151 1.00 2.26 H new ATOM 0 HD3 ARG A 28 -5.692 4.974 11.724 1.00 2.26 H new ATOM 0 HE ARG A 28 -3.231 4.961 13.495 1.00 3.77 H new ATOM 0 HH11 ARG A 28 -6.031 3.829 14.383 1.00 5.17 H new ATOM 0 HH12 ARG A 28 -6.633 5.212 15.301 1.00 5.17 H new ATOM 0 HH21 ARG A 28 -4.191 7.373 13.949 1.00 5.50 H new ATOM 0 HH22 ARG A 28 -5.568 7.262 15.050 1.00 5.50 H new ATOM 441 N ASP A 29 -4.844 0.811 14.032 1.00 1.76 N ATOM 442 CA ASP A 29 -5.636 -0.231 14.750 1.00 1.84 C ATOM 443 C ASP A 29 -6.030 -1.325 13.748 1.00 1.50 C ATOM 444 O ASP A 29 -5.840 -2.504 13.982 1.00 2.07 O ATOM 445 CB ASP A 29 -6.897 0.433 15.345 1.00 2.32 C ATOM 446 CG ASP A 29 -6.785 1.962 15.252 1.00 3.28 C ATOM 447 OD1 ASP A 29 -6.044 2.513 16.038 1.00 4.12 O ATOM 448 OD2 ASP A 29 -7.397 2.506 14.353 1.00 4.08 O ATOM 0 H ASP A 29 -5.241 1.107 13.140 1.00 1.76 H new ATOM 0 HA ASP A 29 -5.052 -0.678 15.555 1.00 1.84 H new ATOM 0 HB2 ASP A 29 -7.783 0.093 14.809 1.00 2.32 H new ATOM 0 HB3 ASP A 29 -7.019 0.133 16.386 1.00 2.32 H new ATOM 453 N ASP A 30 -6.559 -0.883 12.628 1.00 1.23 N ATOM 454 CA ASP A 30 -6.980 -1.858 11.564 1.00 1.09 C ATOM 455 C ASP A 30 -5.899 -1.963 10.476 1.00 1.22 C ATOM 456 O ASP A 30 -5.087 -2.864 10.518 1.00 2.77 O ATOM 457 CB ASP A 30 -8.313 -1.374 10.945 1.00 1.46 C ATOM 458 CG ASP A 30 -8.784 -2.263 9.768 1.00 2.25 C ATOM 459 OD1 ASP A 30 -8.040 -3.143 9.354 1.00 3.31 O ATOM 460 OD2 ASP A 30 -9.884 -2.011 9.318 1.00 2.86 O ATOM 0 H ASP A 30 -6.717 0.100 12.405 1.00 1.23 H new ATOM 0 HA ASP A 30 -7.115 -2.845 12.006 1.00 1.09 H new ATOM 0 HB2 ASP A 30 -9.083 -1.361 11.716 1.00 1.46 H new ATOM 0 HB3 ASP A 30 -8.195 -0.348 10.595 1.00 1.46 H new ATOM 465 N PHE A 31 -5.913 -1.017 9.559 1.00 1.01 N ATOM 466 CA PHE A 31 -4.934 -0.972 8.415 1.00 0.80 C ATOM 467 C PHE A 31 -3.943 -2.159 8.403 1.00 0.76 C ATOM 468 O PHE A 31 -2.807 -2.026 8.828 1.00 0.94 O ATOM 469 CB PHE A 31 -4.168 0.361 8.520 1.00 0.67 C ATOM 470 CG PHE A 31 -3.451 0.685 7.197 1.00 0.68 C ATOM 471 CD1 PHE A 31 -2.235 0.108 6.888 1.00 0.60 C ATOM 472 CD2 PHE A 31 -4.018 1.573 6.301 1.00 1.05 C ATOM 473 CE1 PHE A 31 -1.598 0.411 5.711 1.00 0.70 C ATOM 474 CE2 PHE A 31 -3.378 1.876 5.117 1.00 1.26 C ATOM 475 CZ PHE A 31 -2.168 1.292 4.824 1.00 1.04 C ATOM 0 H PHE A 31 -6.585 -0.249 9.557 1.00 1.01 H new ATOM 0 HA PHE A 31 -5.490 -1.049 7.481 1.00 0.80 H new ATOM 0 HB2 PHE A 31 -4.860 1.165 8.770 1.00 0.67 H new ATOM 0 HB3 PHE A 31 -3.440 0.304 9.329 1.00 0.67 H new ATOM 0 HD1 PHE A 31 -1.782 -0.588 7.579 1.00 0.60 H new ATOM 0 HD2 PHE A 31 -4.968 2.032 6.530 1.00 1.05 H new ATOM 0 HE1 PHE A 31 -0.646 -0.044 5.481 1.00 0.70 H new ATOM 0 HE2 PHE A 31 -3.826 2.570 4.422 1.00 1.26 H new ATOM 0 HZ PHE A 31 -1.666 1.526 3.897 1.00 1.04 H new ATOM 485 N GLN A 32 -4.377 -3.311 7.952 1.00 0.81 N ATOM 486 CA GLN A 32 -3.418 -4.454 7.919 1.00 0.87 C ATOM 487 C GLN A 32 -2.807 -4.489 6.534 1.00 0.84 C ATOM 488 O GLN A 32 -3.480 -4.771 5.564 1.00 1.48 O ATOM 489 CB GLN A 32 -4.105 -5.792 8.156 1.00 1.00 C ATOM 490 CG GLN A 32 -4.905 -5.770 9.462 1.00 1.30 C ATOM 491 CD GLN A 32 -5.353 -7.199 9.784 1.00 2.10 C ATOM 492 OE1 GLN A 32 -5.884 -7.903 8.946 1.00 2.87 O ATOM 493 NE2 GLN A 32 -5.151 -7.673 10.976 1.00 2.90 N ATOM 0 H GLN A 32 -5.321 -3.505 7.616 1.00 0.81 H new ATOM 0 HA GLN A 32 -2.680 -4.309 8.707 1.00 0.87 H new ATOM 0 HB2 GLN A 32 -4.769 -6.018 7.322 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -3.360 -6.587 8.194 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -4.295 -5.373 10.273 1.00 1.30 H new ATOM 0 HG3 GLN A 32 -5.771 -5.115 9.365 1.00 1.30 H new ATOM 0 HE21 GLN A 32 -4.707 -7.092 11.687 1.00 2.90 H new ATOM 0 HE22 GLN A 32 -5.437 -8.626 11.201 1.00 2.90 H new ATOM 502 N TYR A 33 -1.556 -4.199 6.467 1.00 0.83 N ATOM 503 CA TYR A 33 -0.903 -4.196 5.135 1.00 0.73 C ATOM 504 C TYR A 33 0.080 -5.361 4.994 1.00 0.80 C ATOM 505 O TYR A 33 0.430 -6.025 5.952 1.00 0.92 O ATOM 506 CB TYR A 33 -0.180 -2.846 4.949 1.00 0.74 C ATOM 507 CG TYR A 33 1.323 -2.981 5.219 1.00 0.47 C ATOM 508 CD1 TYR A 33 1.786 -3.462 6.427 1.00 0.78 C ATOM 509 CD2 TYR A 33 2.231 -2.690 4.226 1.00 0.98 C ATOM 510 CE1 TYR A 33 3.130 -3.661 6.630 1.00 1.16 C ATOM 511 CE2 TYR A 33 3.573 -2.883 4.433 1.00 1.08 C ATOM 512 CZ TYR A 33 4.030 -3.375 5.630 1.00 1.07 C ATOM 513 OH TYR A 33 5.376 -3.628 5.794 1.00 1.60 O ATOM 0 H TYR A 33 -0.957 -3.966 7.259 1.00 0.83 H new ATOM 0 HA TYR A 33 -1.660 -4.323 4.361 1.00 0.73 H new ATOM 0 HB2 TYR A 33 -0.339 -2.482 3.934 1.00 0.74 H new ATOM 0 HB3 TYR A 33 -0.608 -2.105 5.624 1.00 0.74 H new ATOM 0 HD1 TYR A 33 1.086 -3.684 7.219 1.00 0.78 H new ATOM 0 HD2 TYR A 33 1.884 -2.307 3.278 1.00 0.98 H new ATOM 0 HE1 TYR A 33 3.481 -4.043 7.577 1.00 1.16 H new ATOM 0 HE2 TYR A 33 4.276 -2.646 3.648 1.00 1.08 H new ATOM 0 HH TYR A 33 5.628 -3.468 6.727 1.00 1.60 H new ATOM 523 N GLN A 34 0.430 -5.602 3.771 1.00 0.78 N ATOM 524 CA GLN A 34 1.416 -6.657 3.425 1.00 0.85 C ATOM 525 C GLN A 34 2.219 -6.104 2.244 1.00 0.78 C ATOM 526 O GLN A 34 1.740 -5.224 1.540 1.00 0.91 O ATOM 527 CB GLN A 34 0.668 -7.953 3.047 1.00 0.95 C ATOM 528 CG GLN A 34 1.652 -9.096 2.724 1.00 1.31 C ATOM 529 CD GLN A 34 2.639 -9.297 3.881 1.00 2.76 C ATOM 530 OE1 GLN A 34 3.610 -8.581 4.003 1.00 3.79 O ATOM 531 NE2 GLN A 34 2.437 -10.238 4.754 1.00 3.83 N ATOM 0 H GLN A 34 0.062 -5.095 2.967 1.00 0.78 H new ATOM 0 HA GLN A 34 2.078 -6.903 4.255 1.00 0.85 H new ATOM 0 HB2 GLN A 34 0.017 -8.252 3.869 1.00 0.95 H new ATOM 0 HB3 GLN A 34 0.028 -7.767 2.185 1.00 0.95 H new ATOM 0 HG2 GLN A 34 1.101 -10.019 2.544 1.00 1.31 H new ATOM 0 HG3 GLN A 34 2.197 -8.867 1.808 1.00 1.31 H new ATOM 0 HE21 GLN A 34 1.625 -10.849 4.666 1.00 3.83 H new ATOM 0 HE22 GLN A 34 3.090 -10.365 5.527 1.00 3.83 H new ATOM 540 N TYR A 35 3.405 -6.604 2.035 1.00 0.68 N ATOM 541 CA TYR A 35 4.206 -6.084 0.889 1.00 0.67 C ATOM 542 C TYR A 35 4.309 -7.166 -0.179 1.00 0.65 C ATOM 543 O TYR A 35 4.293 -8.345 0.124 1.00 0.78 O ATOM 544 CB TYR A 35 5.616 -5.701 1.364 1.00 0.74 C ATOM 545 CG TYR A 35 6.357 -4.947 0.242 1.00 0.79 C ATOM 546 CD1 TYR A 35 6.169 -3.590 0.059 1.00 0.98 C ATOM 547 CD2 TYR A 35 7.211 -5.617 -0.612 1.00 0.86 C ATOM 548 CE1 TYR A 35 6.826 -2.920 -0.960 1.00 1.08 C ATOM 549 CE2 TYR A 35 7.868 -4.946 -1.631 1.00 0.95 C ATOM 550 CZ TYR A 35 7.683 -3.592 -1.813 1.00 1.00 C ATOM 551 OH TYR A 35 8.349 -2.902 -2.816 1.00 1.16 O ATOM 0 H TYR A 35 3.848 -7.334 2.593 1.00 0.68 H new ATOM 0 HA TYR A 35 3.717 -5.201 0.478 1.00 0.67 H new ATOM 0 HB2 TYR A 35 5.553 -5.076 2.255 1.00 0.74 H new ATOM 0 HB3 TYR A 35 6.172 -6.596 1.642 1.00 0.74 H new ATOM 0 HD1 TYR A 35 5.505 -3.048 0.716 1.00 0.98 H new ATOM 0 HD2 TYR A 35 7.369 -6.678 -0.484 1.00 0.86 H new ATOM 0 HE1 TYR A 35 6.667 -1.860 -1.090 1.00 1.08 H new ATOM 0 HE2 TYR A 35 8.531 -5.489 -2.289 1.00 0.95 H new ATOM 0 HH TYR A 35 9.150 -3.401 -3.080 1.00 1.16 H new ATOM 561 N VAL A 36 4.399 -6.740 -1.405 1.00 0.56 N ATOM 562 CA VAL A 36 4.517 -7.700 -2.530 1.00 0.55 C ATOM 563 C VAL A 36 5.654 -7.255 -3.472 1.00 0.56 C ATOM 564 O VAL A 36 5.885 -6.068 -3.669 1.00 0.66 O ATOM 565 CB VAL A 36 3.138 -7.755 -3.219 1.00 0.51 C ATOM 566 CG1 VAL A 36 3.295 -7.980 -4.725 1.00 0.52 C ATOM 567 CG2 VAL A 36 2.340 -8.929 -2.637 1.00 0.50 C ATOM 0 H VAL A 36 4.396 -5.757 -1.677 1.00 0.56 H new ATOM 0 HA VAL A 36 4.780 -8.704 -2.196 1.00 0.55 H new ATOM 0 HB VAL A 36 2.624 -6.809 -3.049 1.00 0.51 H new ATOM 0 HG11 VAL A 36 2.311 -8.016 -5.192 1.00 0.52 H new ATOM 0 HG12 VAL A 36 3.872 -7.162 -5.157 1.00 0.52 H new ATOM 0 HG13 VAL A 36 3.814 -8.922 -4.900 1.00 0.52 H new ATOM 0 HG21 VAL A 36 1.363 -8.978 -3.117 1.00 0.50 H new ATOM 0 HG22 VAL A 36 2.879 -9.859 -2.816 1.00 0.50 H new ATOM 0 HG23 VAL A 36 2.211 -8.785 -1.564 1.00 0.50 H new ATOM 577 N ASP A 37 6.306 -8.228 -4.052 1.00 0.53 N ATOM 578 CA ASP A 37 7.460 -7.959 -4.966 1.00 0.59 C ATOM 579 C ASP A 37 7.169 -8.509 -6.367 1.00 0.61 C ATOM 580 O ASP A 37 6.967 -9.706 -6.572 1.00 0.91 O ATOM 581 CB ASP A 37 8.691 -8.645 -4.345 1.00 0.72 C ATOM 582 CG ASP A 37 9.961 -8.549 -5.207 1.00 0.95 C ATOM 583 OD1 ASP A 37 9.925 -7.898 -6.238 1.00 1.48 O ATOM 584 OD2 ASP A 37 10.927 -9.154 -4.778 1.00 2.04 O ATOM 0 H ASP A 37 6.085 -9.216 -3.930 1.00 0.53 H new ATOM 0 HA ASP A 37 7.636 -6.889 -5.075 1.00 0.59 H new ATOM 0 HB2 ASP A 37 8.891 -8.198 -3.371 1.00 0.72 H new ATOM 0 HB3 ASP A 37 8.460 -9.696 -4.172 1.00 0.72 H new ATOM 589 N ILE A 38 7.196 -7.629 -7.320 1.00 0.67 N ATOM 590 CA ILE A 38 6.920 -8.044 -8.709 1.00 0.76 C ATOM 591 C ILE A 38 7.883 -9.139 -9.177 1.00 0.83 C ATOM 592 O ILE A 38 7.468 -9.993 -9.933 1.00 0.97 O ATOM 593 CB ILE A 38 7.003 -6.828 -9.647 1.00 0.93 C ATOM 594 CG1 ILE A 38 8.358 -6.124 -9.492 1.00 1.14 C ATOM 595 CG2 ILE A 38 5.870 -5.847 -9.295 1.00 0.90 C ATOM 596 CD1 ILE A 38 8.783 -5.534 -10.844 1.00 1.29 C ATOM 0 H ILE A 38 7.398 -6.637 -7.193 1.00 0.67 H new ATOM 0 HA ILE A 38 5.912 -8.458 -8.739 1.00 0.76 H new ATOM 0 HB ILE A 38 6.901 -7.163 -10.679 1.00 0.93 H new ATOM 0 HG12 ILE A 38 8.287 -5.334 -8.744 1.00 1.14 H new ATOM 0 HG13 ILE A 38 9.109 -6.830 -9.139 1.00 1.14 H new ATOM 0 HG21 ILE A 38 5.920 -4.981 -9.955 1.00 0.90 H new ATOM 0 HG22 ILE A 38 4.907 -6.343 -9.420 1.00 0.90 H new ATOM 0 HG23 ILE A 38 5.979 -5.522 -8.260 1.00 0.90 H new ATOM 0 HD11 ILE A 38 9.745 -5.033 -10.736 1.00 1.29 H new ATOM 0 HD12 ILE A 38 8.871 -6.334 -11.579 1.00 1.29 H new ATOM 0 HD13 ILE A 38 8.035 -4.815 -11.178 1.00 1.29 H new ATOM 608 N ARG A 39 9.103 -9.172 -8.683 1.00 0.85 N ATOM 609 CA ARG A 39 10.032 -10.235 -9.192 1.00 0.94 C ATOM 610 C ARG A 39 9.852 -11.561 -8.436 1.00 0.90 C ATOM 611 O ARG A 39 10.652 -12.467 -8.579 1.00 1.42 O ATOM 612 CB ARG A 39 11.492 -9.756 -9.093 1.00 1.06 C ATOM 613 CG ARG A 39 11.947 -9.689 -7.629 1.00 2.56 C ATOM 614 CD ARG A 39 13.202 -10.551 -7.444 1.00 3.05 C ATOM 615 NE ARG A 39 13.624 -10.466 -6.014 1.00 3.92 N ATOM 616 CZ ARG A 39 13.486 -11.494 -5.241 1.00 4.78 C ATOM 617 NH1 ARG A 39 14.374 -12.438 -5.274 1.00 5.58 N ATOM 618 NH2 ARG A 39 12.436 -11.520 -4.488 1.00 5.62 N ATOM 0 H ARG A 39 9.483 -8.538 -7.980 1.00 0.85 H new ATOM 0 HA ARG A 39 9.784 -10.418 -10.238 1.00 0.94 H new ATOM 0 HB2 ARG A 39 12.140 -10.434 -9.649 1.00 1.06 H new ATOM 0 HB3 ARG A 39 11.589 -8.773 -9.554 1.00 1.06 H new ATOM 0 HG2 ARG A 39 12.157 -8.657 -7.349 1.00 2.56 H new ATOM 0 HG3 ARG A 39 11.151 -10.041 -6.973 1.00 2.56 H new ATOM 0 HD2 ARG A 39 12.995 -11.586 -7.718 1.00 3.05 H new ATOM 0 HD3 ARG A 39 14.002 -10.202 -8.097 1.00 3.05 H new ATOM 0 HE ARG A 39 14.020 -9.600 -5.648 1.00 3.92 H new ATOM 0 HH11 ARG A 39 15.172 -12.366 -5.905 1.00 5.58 H new ATOM 0 HH12 ARG A 39 14.275 -13.253 -4.669 1.00 5.58 H new ATOM 0 HH21 ARG A 39 11.765 -10.753 -4.522 1.00 5.62 H new ATOM 0 HH22 ARG A 39 12.279 -12.308 -3.859 1.00 5.62 H new ATOM 632 N ALA A 40 8.829 -11.631 -7.624 1.00 0.86 N ATOM 633 CA ALA A 40 8.533 -12.888 -6.875 1.00 1.01 C ATOM 634 C ALA A 40 7.235 -13.454 -7.452 1.00 1.11 C ATOM 635 O ALA A 40 7.121 -14.650 -7.673 1.00 1.33 O ATOM 636 CB ALA A 40 8.351 -12.587 -5.386 1.00 1.04 C ATOM 0 H ALA A 40 8.181 -10.864 -7.447 1.00 0.86 H new ATOM 0 HA ALA A 40 9.352 -13.600 -6.975 1.00 1.01 H new ATOM 0 HB1 ALA A 40 8.136 -13.512 -4.851 1.00 1.04 H new ATOM 0 HB2 ALA A 40 9.265 -12.143 -4.990 1.00 1.04 H new ATOM 0 HB3 ALA A 40 7.523 -11.891 -5.254 1.00 1.04 H new ATOM 642 N GLU A 41 6.289 -12.567 -7.671 1.00 1.01 N ATOM 643 CA GLU A 41 4.991 -13.012 -8.263 1.00 1.23 C ATOM 644 C GLU A 41 5.215 -13.303 -9.763 1.00 1.28 C ATOM 645 O GLU A 41 4.632 -14.217 -10.316 1.00 1.55 O ATOM 646 CB GLU A 41 3.918 -11.912 -8.091 1.00 1.28 C ATOM 647 CG GLU A 41 3.645 -11.642 -6.593 1.00 1.47 C ATOM 648 CD GLU A 41 2.403 -10.735 -6.394 1.00 2.34 C ATOM 649 OE1 GLU A 41 1.870 -10.271 -7.395 1.00 3.86 O ATOM 650 OE2 GLU A 41 2.034 -10.563 -5.244 1.00 2.56 O ATOM 0 H GLU A 41 6.360 -11.570 -7.468 1.00 1.01 H new ATOM 0 HA GLU A 41 4.641 -13.911 -7.755 1.00 1.23 H new ATOM 0 HB2 GLU A 41 4.250 -10.994 -8.576 1.00 1.28 H new ATOM 0 HB3 GLU A 41 2.995 -12.217 -8.584 1.00 1.28 H new ATOM 0 HG2 GLU A 41 3.492 -12.588 -6.074 1.00 1.47 H new ATOM 0 HG3 GLU A 41 4.518 -11.169 -6.143 1.00 1.47 H new ATOM 657 N GLY A 42 6.055 -12.505 -10.387 1.00 1.19 N ATOM 658 CA GLY A 42 6.352 -12.705 -11.846 1.00 1.32 C ATOM 659 C GLY A 42 5.646 -11.622 -12.654 1.00 1.50 C ATOM 660 O GLY A 42 5.074 -11.880 -13.696 1.00 1.83 O ATOM 0 H GLY A 42 6.547 -11.726 -9.950 1.00 1.19 H new ATOM 0 HA2 GLY A 42 7.427 -12.662 -12.020 1.00 1.32 H new ATOM 0 HA3 GLY A 42 6.016 -13.691 -12.166 1.00 1.32 H new ATOM 664 N ILE A 43 5.775 -10.420 -12.185 1.00 1.39 N ATOM 665 CA ILE A 43 5.096 -9.270 -12.843 1.00 1.67 C ATOM 666 C ILE A 43 6.077 -8.351 -13.586 1.00 1.85 C ATOM 667 O ILE A 43 7.204 -8.157 -13.157 1.00 1.82 O ATOM 668 CB ILE A 43 4.402 -8.514 -11.703 1.00 1.57 C ATOM 669 CG1 ILE A 43 3.252 -9.376 -11.154 1.00 1.53 C ATOM 670 CG2 ILE A 43 3.850 -7.178 -12.196 1.00 2.21 C ATOM 671 CD1 ILE A 43 2.703 -8.753 -9.867 1.00 1.59 C ATOM 0 H ILE A 43 6.328 -10.178 -11.363 1.00 1.39 H new ATOM 0 HA ILE A 43 4.398 -9.616 -13.605 1.00 1.67 H new ATOM 0 HB ILE A 43 5.130 -8.316 -10.916 1.00 1.57 H new ATOM 0 HG12 ILE A 43 2.459 -9.456 -11.897 1.00 1.53 H new ATOM 0 HG13 ILE A 43 3.606 -10.388 -10.956 1.00 1.53 H new ATOM 0 HG21 ILE A 43 3.362 -6.659 -11.371 1.00 2.21 H new ATOM 0 HG22 ILE A 43 4.667 -6.565 -12.578 1.00 2.21 H new ATOM 0 HG23 ILE A 43 3.126 -7.355 -12.992 1.00 2.21 H new ATOM 0 HD11 ILE A 43 1.889 -9.368 -9.483 1.00 1.59 H new ATOM 0 HD12 ILE A 43 3.497 -8.697 -9.123 1.00 1.59 H new ATOM 0 HD13 ILE A 43 2.332 -7.750 -10.078 1.00 1.59 H new ATOM 683 N THR A 44 5.626 -7.792 -14.681 1.00 2.13 N ATOM 684 CA THR A 44 6.501 -6.861 -15.454 1.00 2.40 C ATOM 685 C THR A 44 5.837 -5.479 -15.467 1.00 2.49 C ATOM 686 O THR A 44 6.010 -4.710 -14.538 1.00 3.48 O ATOM 687 CB THR A 44 6.697 -7.409 -16.878 1.00 2.75 C ATOM 688 OG1 THR A 44 5.393 -7.715 -17.353 1.00 2.70 O ATOM 689 CG2 THR A 44 7.434 -8.751 -16.857 1.00 2.87 C ATOM 0 H THR A 44 4.695 -7.939 -15.071 1.00 2.13 H new ATOM 0 HA THR A 44 7.485 -6.774 -14.994 1.00 2.40 H new ATOM 0 HB THR A 44 7.252 -6.685 -17.474 1.00 2.75 H new ATOM 0 HG1 THR A 44 5.244 -7.268 -18.212 1.00 2.70 H new ATOM 0 HG21 THR A 44 7.558 -9.114 -17.877 1.00 2.87 H new ATOM 0 HG22 THR A 44 8.413 -8.621 -16.396 1.00 2.87 H new ATOM 0 HG23 THR A 44 6.856 -9.475 -16.282 1.00 2.87 H new ATOM 697 N LYS A 45 5.078 -5.193 -16.494 1.00 1.89 N ATOM 698 CA LYS A 45 4.382 -3.873 -16.563 1.00 1.99 C ATOM 699 C LYS A 45 2.941 -4.110 -17.012 1.00 2.01 C ATOM 700 O LYS A 45 2.000 -3.797 -16.303 1.00 2.24 O ATOM 701 CB LYS A 45 5.120 -2.961 -17.564 1.00 2.27 C ATOM 702 CG LYS A 45 5.431 -1.604 -16.908 1.00 3.00 C ATOM 703 CD LYS A 45 6.486 -1.781 -15.798 1.00 3.99 C ATOM 704 CE LYS A 45 6.741 -0.445 -15.087 1.00 5.53 C ATOM 705 NZ LYS A 45 5.498 0.067 -14.434 1.00 6.11 N ATOM 0 H LYS A 45 4.911 -5.814 -17.285 1.00 1.89 H new ATOM 0 HA LYS A 45 4.381 -3.386 -15.588 1.00 1.99 H new ATOM 0 HB2 LYS A 45 6.045 -3.437 -17.889 1.00 2.27 H new ATOM 0 HB3 LYS A 45 4.508 -2.813 -18.453 1.00 2.27 H new ATOM 0 HG2 LYS A 45 5.796 -0.904 -17.659 1.00 3.00 H new ATOM 0 HG3 LYS A 45 4.520 -1.176 -16.490 1.00 3.00 H new ATOM 0 HD2 LYS A 45 6.145 -2.525 -15.078 1.00 3.99 H new ATOM 0 HD3 LYS A 45 7.415 -2.156 -16.227 1.00 3.99 H new ATOM 0 HE2 LYS A 45 7.522 -0.572 -14.338 1.00 5.53 H new ATOM 0 HE3 LYS A 45 7.106 0.289 -15.806 1.00 5.53 H new ATOM 0 HZ1 LYS A 45 5.470 1.104 -14.506 1.00 6.11 H new ATOM 0 HZ2 LYS A 45 4.665 -0.335 -14.909 1.00 6.11 H new ATOM 0 HZ3 LYS A 45 5.493 -0.211 -13.432 1.00 6.11 H new ATOM 719 N GLU A 46 2.822 -4.648 -18.199 1.00 2.12 N ATOM 720 CA GLU A 46 1.484 -4.959 -18.793 1.00 2.18 C ATOM 721 C GLU A 46 0.490 -5.441 -17.721 1.00 2.03 C ATOM 722 O GLU A 46 -0.603 -4.911 -17.592 1.00 2.06 O ATOM 723 CB GLU A 46 1.652 -6.056 -19.867 1.00 2.34 C ATOM 724 CG GLU A 46 2.728 -5.647 -20.899 1.00 2.52 C ATOM 725 CD GLU A 46 4.047 -6.399 -20.634 1.00 2.56 C ATOM 726 OE1 GLU A 46 4.521 -6.294 -19.510 1.00 3.05 O ATOM 727 OE2 GLU A 46 4.510 -7.034 -21.565 1.00 3.27 O ATOM 0 H GLU A 46 3.613 -4.890 -18.795 1.00 2.12 H new ATOM 0 HA GLU A 46 1.085 -4.047 -19.238 1.00 2.18 H new ATOM 0 HB2 GLU A 46 1.934 -6.996 -19.393 1.00 2.34 H new ATOM 0 HB3 GLU A 46 0.701 -6.226 -20.373 1.00 2.34 H new ATOM 0 HG2 GLU A 46 2.375 -5.865 -21.907 1.00 2.52 H new ATOM 0 HG3 GLU A 46 2.899 -4.572 -20.847 1.00 2.52 H new ATOM 734 N ASP A 47 0.893 -6.437 -16.968 1.00 1.93 N ATOM 735 CA ASP A 47 -0.025 -6.962 -15.917 1.00 1.89 C ATOM 736 C ASP A 47 -0.400 -5.857 -14.934 1.00 1.82 C ATOM 737 O ASP A 47 -1.560 -5.588 -14.736 1.00 1.92 O ATOM 738 CB ASP A 47 0.627 -8.106 -15.141 1.00 1.76 C ATOM 739 CG ASP A 47 -0.428 -8.655 -14.169 1.00 2.34 C ATOM 740 OD1 ASP A 47 -1.480 -9.051 -14.668 1.00 2.99 O ATOM 741 OD2 ASP A 47 -0.146 -8.592 -12.987 1.00 3.15 O ATOM 0 H ASP A 47 1.800 -6.899 -17.035 1.00 1.93 H new ATOM 0 HA ASP A 47 -0.920 -7.330 -16.419 1.00 1.89 H new ATOM 0 HB2 ASP A 47 0.967 -8.887 -15.821 1.00 1.76 H new ATOM 0 HB3 ASP A 47 1.503 -7.752 -14.598 1.00 1.76 H new ATOM 746 N LEU A 48 0.587 -5.251 -14.324 1.00 1.70 N ATOM 747 CA LEU A 48 0.282 -4.153 -13.353 1.00 1.70 C ATOM 748 C LEU A 48 -0.678 -3.162 -13.976 1.00 1.83 C ATOM 749 O LEU A 48 -1.645 -2.808 -13.365 1.00 1.88 O ATOM 750 CB LEU A 48 1.566 -3.443 -12.936 1.00 1.70 C ATOM 751 CG LEU A 48 2.348 -4.396 -12.036 1.00 1.56 C ATOM 752 CD1 LEU A 48 3.800 -3.918 -11.950 1.00 1.66 C ATOM 753 CD2 LEU A 48 1.723 -4.426 -10.624 1.00 1.65 C ATOM 0 H LEU A 48 1.576 -5.463 -14.452 1.00 1.70 H new ATOM 0 HA LEU A 48 -0.181 -4.588 -12.467 1.00 1.70 H new ATOM 0 HB2 LEU A 48 2.156 -3.173 -13.812 1.00 1.70 H new ATOM 0 HB3 LEU A 48 1.338 -2.518 -12.407 1.00 1.70 H new ATOM 0 HG LEU A 48 2.314 -5.402 -12.454 1.00 1.56 H new ATOM 0 HD11 LEU A 48 4.368 -4.592 -11.309 1.00 1.66 H new ATOM 0 HD12 LEU A 48 4.240 -3.909 -12.947 1.00 1.66 H new ATOM 0 HD13 LEU A 48 3.828 -2.912 -11.532 1.00 1.66 H new ATOM 0 HD21 LEU A 48 2.289 -5.109 -9.990 1.00 1.65 H new ATOM 0 HD22 LEU A 48 1.749 -3.425 -10.193 1.00 1.65 H new ATOM 0 HD23 LEU A 48 0.689 -4.765 -10.691 1.00 1.65 H new ATOM 765 N GLN A 49 -0.410 -2.742 -15.175 1.00 1.95 N ATOM 766 CA GLN A 49 -1.348 -1.791 -15.824 1.00 2.10 C ATOM 767 C GLN A 49 -2.750 -2.429 -15.850 1.00 2.05 C ATOM 768 O GLN A 49 -3.714 -1.830 -15.384 1.00 2.03 O ATOM 769 CB GLN A 49 -0.820 -1.519 -17.234 1.00 2.42 C ATOM 770 CG GLN A 49 -1.767 -0.601 -18.008 1.00 2.42 C ATOM 771 CD GLN A 49 -2.870 -1.439 -18.667 1.00 3.07 C ATOM 772 OE1 GLN A 49 -2.597 -2.334 -19.435 1.00 3.62 O ATOM 773 NE2 GLN A 49 -4.116 -1.187 -18.414 1.00 4.18 N ATOM 0 H GLN A 49 0.404 -3.010 -15.728 1.00 1.95 H new ATOM 0 HA GLN A 49 -1.420 -0.847 -15.284 1.00 2.10 H new ATOM 0 HB2 GLN A 49 0.167 -1.061 -17.174 1.00 2.42 H new ATOM 0 HB3 GLN A 49 -0.703 -2.461 -17.770 1.00 2.42 H new ATOM 0 HG2 GLN A 49 -2.208 0.134 -17.335 1.00 2.42 H new ATOM 0 HG3 GLN A 49 -1.214 -0.048 -18.767 1.00 2.42 H new ATOM 0 HE21 GLN A 49 -4.364 -0.436 -17.769 1.00 4.18 H new ATOM 0 HE22 GLN A 49 -4.849 -1.739 -18.860 1.00 4.18 H new ATOM 782 N GLN A 50 -2.810 -3.618 -16.390 1.00 2.11 N ATOM 783 CA GLN A 50 -4.098 -4.364 -16.474 1.00 2.18 C ATOM 784 C GLN A 50 -4.789 -4.442 -15.101 1.00 1.95 C ATOM 785 O GLN A 50 -5.850 -3.891 -14.904 1.00 2.19 O ATOM 786 CB GLN A 50 -3.763 -5.771 -17.012 1.00 2.40 C ATOM 787 CG GLN A 50 -4.861 -6.785 -16.663 1.00 2.89 C ATOM 788 CD GLN A 50 -4.489 -8.139 -17.262 1.00 3.68 C ATOM 789 OE1 GLN A 50 -4.993 -8.531 -18.294 1.00 4.19 O ATOM 790 NE2 GLN A 50 -3.594 -8.878 -16.666 1.00 4.68 N ATOM 0 H GLN A 50 -2.007 -4.110 -16.782 1.00 2.11 H new ATOM 0 HA GLN A 50 -4.797 -3.853 -17.137 1.00 2.18 H new ATOM 0 HB2 GLN A 50 -3.638 -5.727 -18.094 1.00 2.40 H new ATOM 0 HB3 GLN A 50 -2.813 -6.104 -16.594 1.00 2.40 H new ATOM 0 HG2 GLN A 50 -4.968 -6.868 -15.581 1.00 2.89 H new ATOM 0 HG3 GLN A 50 -5.822 -6.450 -17.054 1.00 2.89 H new ATOM 0 HE21 GLN A 50 -3.164 -8.558 -15.798 1.00 4.68 H new ATOM 0 HE22 GLN A 50 -3.324 -9.776 -17.068 1.00 4.68 H new ATOM 799 N LYS A 51 -4.146 -5.113 -14.188 1.00 1.60 N ATOM 800 CA LYS A 51 -4.695 -5.296 -12.817 1.00 1.50 C ATOM 801 C LYS A 51 -4.961 -3.971 -12.117 1.00 1.30 C ATOM 802 O LYS A 51 -5.976 -3.810 -11.473 1.00 1.30 O ATOM 803 CB LYS A 51 -3.683 -6.080 -11.986 1.00 1.57 C ATOM 804 CG LYS A 51 -3.448 -7.452 -12.629 1.00 2.60 C ATOM 805 CD LYS A 51 -2.753 -8.398 -11.634 1.00 2.65 C ATOM 806 CE LYS A 51 -3.590 -8.588 -10.364 1.00 2.61 C ATOM 807 NZ LYS A 51 -5.016 -8.869 -10.709 1.00 3.40 N ATOM 0 H LYS A 51 -3.239 -5.554 -14.340 1.00 1.60 H new ATOM 0 HA LYS A 51 -5.643 -5.827 -12.909 1.00 1.50 H new ATOM 0 HB2 LYS A 51 -2.744 -5.530 -11.923 1.00 1.57 H new ATOM 0 HB3 LYS A 51 -4.050 -6.202 -10.967 1.00 1.57 H new ATOM 0 HG2 LYS A 51 -4.399 -7.881 -12.945 1.00 2.60 H new ATOM 0 HG3 LYS A 51 -2.836 -7.341 -13.524 1.00 2.60 H new ATOM 0 HD2 LYS A 51 -2.583 -9.365 -12.107 1.00 2.65 H new ATOM 0 HD3 LYS A 51 -1.775 -7.996 -11.370 1.00 2.65 H new ATOM 0 HE2 LYS A 51 -3.184 -9.410 -9.775 1.00 2.61 H new ATOM 0 HE3 LYS A 51 -3.530 -7.693 -9.745 1.00 2.61 H new ATOM 0 HZ1 LYS A 51 -5.504 -9.257 -9.877 1.00 3.40 H new ATOM 0 HZ2 LYS A 51 -5.482 -7.987 -11.004 1.00 3.40 H new ATOM 0 HZ3 LYS A 51 -5.056 -9.559 -11.487 1.00 3.40 H new ATOM 821 N ALA A 52 -4.012 -3.090 -12.207 1.00 1.56 N ATOM 822 CA ALA A 52 -4.144 -1.760 -11.554 1.00 1.65 C ATOM 823 C ALA A 52 -5.384 -1.042 -12.074 1.00 1.76 C ATOM 824 O ALA A 52 -6.045 -0.313 -11.350 1.00 2.10 O ATOM 825 CB ALA A 52 -2.899 -0.935 -11.875 1.00 1.62 C ATOM 0 H ALA A 52 -3.137 -3.234 -12.712 1.00 1.56 H new ATOM 0 HA ALA A 52 -4.242 -1.887 -10.476 1.00 1.65 H new ATOM 0 HB1 ALA A 52 -2.980 0.044 -11.403 1.00 1.62 H new ATOM 0 HB2 ALA A 52 -2.015 -1.448 -11.497 1.00 1.62 H new ATOM 0 HB3 ALA A 52 -2.813 -0.812 -12.955 1.00 1.62 H new ATOM 831 N GLY A 53 -5.615 -1.196 -13.348 1.00 1.73 N ATOM 832 CA GLY A 53 -6.810 -0.550 -13.962 1.00 2.02 C ATOM 833 C GLY A 53 -6.433 0.859 -14.394 1.00 2.19 C ATOM 834 O GLY A 53 -7.193 1.793 -14.238 1.00 2.94 O ATOM 0 H GLY A 53 -5.033 -1.737 -13.987 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -7.154 -1.129 -14.819 1.00 2.02 H new ATOM 0 HA3 GLY A 53 -7.632 -0.519 -13.247 1.00 2.02 H new ATOM 838 N LYS A 54 -5.250 0.987 -14.926 1.00 2.05 N ATOM 839 CA LYS A 54 -4.794 2.336 -15.370 1.00 2.33 C ATOM 840 C LYS A 54 -4.504 2.336 -16.873 1.00 2.55 C ATOM 841 O LYS A 54 -4.169 1.318 -17.435 1.00 3.32 O ATOM 842 CB LYS A 54 -3.522 2.719 -14.589 1.00 3.09 C ATOM 843 CG LYS A 54 -3.883 3.185 -13.165 1.00 3.51 C ATOM 844 CD LYS A 54 -4.768 4.444 -13.246 1.00 3.96 C ATOM 845 CE LYS A 54 -4.607 5.317 -11.988 1.00 4.60 C ATOM 846 NZ LYS A 54 -3.240 5.935 -11.931 1.00 5.20 N ATOM 0 H LYS A 54 -4.585 0.227 -15.072 1.00 2.05 H new ATOM 0 HA LYS A 54 -5.581 3.064 -15.173 1.00 2.33 H new ATOM 0 HB2 LYS A 54 -2.848 1.864 -14.538 1.00 3.09 H new ATOM 0 HB3 LYS A 54 -2.991 3.513 -15.114 1.00 3.09 H new ATOM 0 HG2 LYS A 54 -4.408 2.392 -12.633 1.00 3.51 H new ATOM 0 HG3 LYS A 54 -2.976 3.401 -12.600 1.00 3.51 H new ATOM 0 HD2 LYS A 54 -4.502 5.023 -14.130 1.00 3.96 H new ATOM 0 HD3 LYS A 54 -5.812 4.152 -13.358 1.00 3.96 H new ATOM 0 HE2 LYS A 54 -5.364 6.101 -11.986 1.00 4.60 H new ATOM 0 HE3 LYS A 54 -4.773 4.711 -11.097 1.00 4.60 H new ATOM 0 HZ1 LYS A 54 -2.856 5.839 -10.969 1.00 5.20 H new ATOM 0 HZ2 LYS A 54 -2.612 5.452 -12.605 1.00 5.20 H new ATOM 0 HZ3 LYS A 54 -3.304 6.943 -12.179 1.00 5.20 H new ATOM 860 N PRO A 55 -4.663 3.490 -17.488 1.00 2.88 N ATOM 861 CA PRO A 55 -3.937 3.817 -18.735 1.00 3.35 C ATOM 862 C PRO A 55 -2.611 4.505 -18.449 1.00 3.08 C ATOM 863 O PRO A 55 -1.670 4.456 -19.211 1.00 3.46 O ATOM 864 CB PRO A 55 -4.900 4.734 -19.492 1.00 4.57 C ATOM 865 CG PRO A 55 -5.932 5.262 -18.457 1.00 4.72 C ATOM 866 CD PRO A 55 -5.736 4.460 -17.157 1.00 3.64 C ATOM 0 HA PRO A 55 -3.672 2.929 -19.308 1.00 3.35 H new ATOM 0 HB2 PRO A 55 -4.361 5.560 -19.956 1.00 4.57 H new ATOM 0 HB3 PRO A 55 -5.401 4.190 -20.293 1.00 4.57 H new ATOM 0 HG2 PRO A 55 -5.784 6.327 -18.277 1.00 4.72 H new ATOM 0 HG3 PRO A 55 -6.948 5.141 -18.833 1.00 4.72 H new ATOM 0 HD2 PRO A 55 -5.447 5.107 -16.329 1.00 3.64 H new ATOM 0 HD3 PRO A 55 -6.654 3.953 -16.859 1.00 3.64 H new ATOM 874 N VAL A 56 -2.610 5.111 -17.329 1.00 3.45 N ATOM 875 CA VAL A 56 -1.413 5.857 -16.836 1.00 3.81 C ATOM 876 C VAL A 56 -0.948 5.234 -15.518 1.00 3.69 C ATOM 877 O VAL A 56 -1.611 5.360 -14.489 1.00 5.11 O ATOM 878 CB VAL A 56 -1.762 7.348 -16.646 1.00 5.24 C ATOM 879 CG1 VAL A 56 -1.743 8.043 -18.014 1.00 6.09 C ATOM 880 CG2 VAL A 56 -3.165 7.511 -16.040 1.00 6.25 C ATOM 0 H VAL A 56 -3.409 5.134 -16.695 1.00 3.45 H new ATOM 0 HA VAL A 56 -0.606 5.790 -17.566 1.00 3.81 H new ATOM 0 HB VAL A 56 -1.029 7.791 -15.972 1.00 5.24 H new ATOM 0 HG11 VAL A 56 -1.989 9.098 -17.890 1.00 6.09 H new ATOM 0 HG12 VAL A 56 -0.750 7.951 -18.455 1.00 6.09 H new ATOM 0 HG13 VAL A 56 -2.476 7.575 -18.670 1.00 6.09 H new ATOM 0 HG21 VAL A 56 -3.387 8.571 -15.916 1.00 6.25 H new ATOM 0 HG22 VAL A 56 -3.903 7.061 -16.704 1.00 6.25 H new ATOM 0 HG23 VAL A 56 -3.202 7.017 -15.069 1.00 6.25 H new ATOM 890 N GLU A 57 0.169 4.553 -15.594 1.00 2.68 N ATOM 891 CA GLU A 57 0.732 3.868 -14.390 1.00 3.17 C ATOM 892 C GLU A 57 2.122 4.405 -14.025 1.00 2.86 C ATOM 893 O GLU A 57 2.742 5.136 -14.777 1.00 3.73 O ATOM 894 CB GLU A 57 0.850 2.364 -14.702 1.00 4.01 C ATOM 895 CG GLU A 57 1.835 2.151 -15.873 1.00 4.18 C ATOM 896 CD GLU A 57 3.113 1.481 -15.370 1.00 5.07 C ATOM 897 OE1 GLU A 57 3.973 2.219 -14.926 1.00 5.64 O ATOM 898 OE2 GLU A 57 3.166 0.264 -15.439 1.00 5.99 O ATOM 0 H GLU A 57 0.719 4.442 -16.446 1.00 2.68 H new ATOM 0 HA GLU A 57 0.067 4.052 -13.546 1.00 3.17 H new ATOM 0 HB2 GLU A 57 1.197 1.826 -13.820 1.00 4.01 H new ATOM 0 HB3 GLU A 57 -0.128 1.958 -14.959 1.00 4.01 H new ATOM 0 HG2 GLU A 57 1.370 1.534 -16.642 1.00 4.18 H new ATOM 0 HG3 GLU A 57 2.075 3.109 -16.335 1.00 4.18 H new ATOM 905 N THR A 58 2.539 4.023 -12.856 1.00 2.72 N ATOM 906 CA THR A 58 3.872 4.407 -12.311 1.00 3.24 C ATOM 907 C THR A 58 4.218 3.330 -11.282 1.00 2.62 C ATOM 908 O THR A 58 3.382 2.483 -11.029 1.00 2.41 O ATOM 909 CB THR A 58 3.791 5.777 -11.610 1.00 4.72 C ATOM 910 OG1 THR A 58 2.701 5.669 -10.689 1.00 5.97 O ATOM 911 CG2 THR A 58 3.393 6.906 -12.569 1.00 5.62 C ATOM 0 H THR A 58 1.990 3.436 -12.228 1.00 2.72 H new ATOM 0 HA THR A 58 4.619 4.483 -13.101 1.00 3.24 H new ATOM 0 HB THR A 58 4.763 6.006 -11.172 1.00 4.72 H new ATOM 0 HG1 THR A 58 2.596 6.515 -10.205 1.00 5.97 H new ATOM 0 HG21 THR A 58 3.351 7.849 -12.024 1.00 5.62 H new ATOM 0 HG22 THR A 58 4.131 6.982 -13.368 1.00 5.62 H new ATOM 0 HG23 THR A 58 2.414 6.691 -12.998 1.00 5.62 H new ATOM 919 N VAL A 59 5.394 3.355 -10.705 1.00 2.58 N ATOM 920 CA VAL A 59 5.699 2.320 -9.675 1.00 2.08 C ATOM 921 C VAL A 59 5.883 3.014 -8.328 1.00 2.11 C ATOM 922 O VAL A 59 6.216 4.187 -8.268 1.00 2.65 O ATOM 923 CB VAL A 59 6.982 1.544 -9.998 1.00 2.30 C ATOM 924 CG1 VAL A 59 6.734 0.625 -11.192 1.00 2.53 C ATOM 925 CG2 VAL A 59 8.126 2.515 -10.306 1.00 3.78 C ATOM 0 H VAL A 59 6.136 4.028 -10.896 1.00 2.58 H new ATOM 0 HA VAL A 59 4.870 1.612 -9.655 1.00 2.08 H new ATOM 0 HB VAL A 59 7.264 0.942 -9.134 1.00 2.30 H new ATOM 0 HG11 VAL A 59 7.645 0.073 -11.422 1.00 2.53 H new ATOM 0 HG12 VAL A 59 5.936 -0.077 -10.951 1.00 2.53 H new ATOM 0 HG13 VAL A 59 6.443 1.222 -12.056 1.00 2.53 H new ATOM 0 HG21 VAL A 59 9.031 1.951 -10.534 1.00 3.78 H new ATOM 0 HG22 VAL A 59 7.858 3.133 -11.163 1.00 3.78 H new ATOM 0 HG23 VAL A 59 8.304 3.153 -9.441 1.00 3.78 H new ATOM 935 N PRO A 60 5.680 2.273 -7.268 1.00 1.78 N ATOM 936 CA PRO A 60 4.952 0.972 -7.277 1.00 1.34 C ATOM 937 C PRO A 60 3.439 1.180 -7.457 1.00 1.08 C ATOM 938 O PRO A 60 2.976 2.280 -7.715 1.00 1.18 O ATOM 939 CB PRO A 60 5.260 0.391 -5.896 1.00 1.51 C ATOM 940 CG PRO A 60 5.544 1.614 -5.001 1.00 1.98 C ATOM 941 CD PRO A 60 6.178 2.662 -5.929 1.00 2.12 C ATOM 0 HA PRO A 60 5.257 0.322 -8.097 1.00 1.34 H new ATOM 0 HB2 PRO A 60 4.419 -0.189 -5.516 1.00 1.51 H new ATOM 0 HB3 PRO A 60 6.119 -0.279 -5.933 1.00 1.51 H new ATOM 0 HG2 PRO A 60 4.626 1.992 -4.550 1.00 1.98 H new ATOM 0 HG3 PRO A 60 6.217 1.355 -4.184 1.00 1.98 H new ATOM 0 HD2 PRO A 60 5.871 3.674 -5.663 1.00 2.12 H new ATOM 0 HD3 PRO A 60 7.267 2.636 -5.881 1.00 2.12 H new ATOM 949 N GLN A 61 2.704 0.105 -7.326 1.00 0.83 N ATOM 950 CA GLN A 61 1.208 0.188 -7.450 1.00 0.64 C ATOM 951 C GLN A 61 0.605 -0.286 -6.122 1.00 0.54 C ATOM 952 O GLN A 61 1.186 -1.151 -5.468 1.00 0.62 O ATOM 953 CB GLN A 61 0.718 -0.707 -8.602 1.00 0.73 C ATOM 954 CG GLN A 61 1.183 -0.132 -9.951 1.00 1.01 C ATOM 955 CD GLN A 61 0.420 1.160 -10.269 1.00 2.14 C ATOM 956 OE1 GLN A 61 -0.689 1.136 -10.758 1.00 3.01 O ATOM 957 NE2 GLN A 61 0.960 2.306 -10.008 1.00 3.31 N ATOM 0 H GLN A 61 3.070 -0.828 -7.139 1.00 0.83 H new ATOM 0 HA GLN A 61 0.901 1.211 -7.666 1.00 0.64 H new ATOM 0 HB2 GLN A 61 1.104 -1.719 -8.476 1.00 0.73 H new ATOM 0 HB3 GLN A 61 -0.370 -0.776 -8.582 1.00 0.73 H new ATOM 0 HG2 GLN A 61 2.254 0.068 -9.919 1.00 1.01 H new ATOM 0 HG3 GLN A 61 1.019 -0.864 -10.742 1.00 1.01 H new ATOM 0 HE21 GLN A 61 1.892 2.349 -9.596 1.00 3.31 H new ATOM 0 HE22 GLN A 61 0.454 3.167 -10.214 1.00 3.31 H new ATOM 966 N ILE A 62 -0.522 0.279 -5.747 1.00 0.51 N ATOM 967 CA ILE A 62 -1.150 -0.116 -4.456 1.00 0.52 C ATOM 968 C ILE A 62 -2.569 -0.623 -4.631 1.00 0.52 C ATOM 969 O ILE A 62 -3.361 -0.095 -5.395 1.00 0.58 O ATOM 970 CB ILE A 62 -1.199 1.099 -3.501 1.00 0.64 C ATOM 971 CG1 ILE A 62 0.222 1.583 -3.191 1.00 0.88 C ATOM 972 CG2 ILE A 62 -1.910 0.724 -2.184 1.00 0.76 C ATOM 973 CD1 ILE A 62 0.683 2.546 -4.280 1.00 1.28 C ATOM 0 H ILE A 62 -1.025 0.990 -6.278 1.00 0.51 H new ATOM 0 HA ILE A 62 -0.538 -0.920 -4.047 1.00 0.52 H new ATOM 0 HB ILE A 62 -1.756 1.897 -3.991 1.00 0.64 H new ATOM 0 HG12 ILE A 62 0.245 2.078 -2.220 1.00 0.88 H new ATOM 0 HG13 ILE A 62 0.902 0.733 -3.131 1.00 0.88 H new ATOM 0 HG21 ILE A 62 -1.935 1.591 -1.524 1.00 0.76 H new ATOM 0 HG22 ILE A 62 -2.929 0.402 -2.399 1.00 0.76 H new ATOM 0 HG23 ILE A 62 -1.369 -0.087 -1.697 1.00 0.76 H new ATOM 0 HD11 ILE A 62 1.693 2.889 -4.058 1.00 1.28 H new ATOM 0 HD12 ILE A 62 0.676 2.036 -5.243 1.00 1.28 H new ATOM 0 HD13 ILE A 62 0.009 3.402 -4.318 1.00 1.28 H new ATOM 985 N PHE A 63 -2.842 -1.595 -3.824 1.00 0.52 N ATOM 986 CA PHE A 63 -4.177 -2.245 -3.768 1.00 0.60 C ATOM 987 C PHE A 63 -4.655 -2.111 -2.325 1.00 0.55 C ATOM 988 O PHE A 63 -3.923 -2.497 -1.430 1.00 0.60 O ATOM 989 CB PHE A 63 -4.042 -3.739 -4.110 1.00 0.82 C ATOM 990 CG PHE A 63 -3.972 -3.941 -5.630 1.00 0.93 C ATOM 991 CD1 PHE A 63 -2.773 -3.817 -6.311 1.00 1.03 C ATOM 992 CD2 PHE A 63 -5.122 -4.227 -6.344 1.00 1.10 C ATOM 993 CE1 PHE A 63 -2.731 -3.973 -7.686 1.00 1.23 C ATOM 994 CE2 PHE A 63 -5.079 -4.379 -7.712 1.00 1.29 C ATOM 995 CZ PHE A 63 -3.887 -4.246 -8.382 1.00 1.34 C ATOM 0 H PHE A 63 -2.165 -1.986 -3.169 1.00 0.52 H new ATOM 0 HA PHE A 63 -4.870 -1.786 -4.474 1.00 0.60 H new ATOM 0 HB2 PHE A 63 -3.145 -4.145 -3.642 1.00 0.82 H new ATOM 0 HB3 PHE A 63 -4.891 -4.289 -3.703 1.00 0.82 H new ATOM 0 HD1 PHE A 63 -1.866 -3.598 -5.767 1.00 1.03 H new ATOM 0 HD2 PHE A 63 -6.062 -4.332 -5.824 1.00 1.10 H new ATOM 0 HE1 PHE A 63 -1.792 -3.881 -8.212 1.00 1.23 H new ATOM 0 HE2 PHE A 63 -5.983 -4.603 -8.259 1.00 1.29 H new ATOM 0 HZ PHE A 63 -3.857 -4.356 -9.456 1.00 1.34 H new ATOM 1005 N VAL A 64 -5.810 -1.551 -2.107 1.00 0.53 N ATOM 1006 CA VAL A 64 -6.281 -1.438 -0.693 1.00 0.59 C ATOM 1007 C VAL A 64 -7.238 -2.614 -0.428 1.00 0.82 C ATOM 1008 O VAL A 64 -7.390 -3.489 -1.252 1.00 1.69 O ATOM 1009 CB VAL A 64 -6.921 -0.032 -0.496 1.00 0.61 C ATOM 1010 CG1 VAL A 64 -7.721 0.094 0.809 1.00 0.81 C ATOM 1011 CG2 VAL A 64 -5.791 0.999 -0.383 1.00 0.71 C ATOM 0 H VAL A 64 -6.435 -1.175 -2.820 1.00 0.53 H new ATOM 0 HA VAL A 64 -5.473 -1.509 0.036 1.00 0.59 H new ATOM 0 HB VAL A 64 -7.588 0.126 -1.344 1.00 0.61 H new ATOM 0 HG11 VAL A 64 -8.140 1.098 0.884 1.00 0.81 H new ATOM 0 HG12 VAL A 64 -8.529 -0.638 0.812 1.00 0.81 H new ATOM 0 HG13 VAL A 64 -7.063 -0.089 1.658 1.00 0.81 H new ATOM 0 HG21 VAL A 64 -6.217 1.992 -0.244 1.00 0.71 H new ATOM 0 HG22 VAL A 64 -5.158 0.753 0.470 1.00 0.71 H new ATOM 0 HG23 VAL A 64 -5.193 0.985 -1.294 1.00 0.71 H new ATOM 1021 N ASP A 65 -7.857 -2.604 0.699 1.00 1.45 N ATOM 1022 CA ASP A 65 -8.788 -3.695 1.088 1.00 1.62 C ATOM 1023 C ASP A 65 -9.790 -4.039 -0.006 1.00 2.16 C ATOM 1024 O ASP A 65 -10.136 -5.191 -0.188 1.00 2.63 O ATOM 1025 CB ASP A 65 -9.538 -3.183 2.309 1.00 2.05 C ATOM 1026 CG ASP A 65 -10.499 -4.246 2.824 1.00 1.87 C ATOM 1027 OD1 ASP A 65 -9.991 -5.178 3.419 1.00 2.72 O ATOM 1028 OD2 ASP A 65 -11.672 -4.069 2.585 1.00 2.63 O ATOM 0 H ASP A 65 -7.759 -1.865 1.396 1.00 1.45 H new ATOM 0 HA ASP A 65 -8.222 -4.607 1.280 1.00 1.62 H new ATOM 0 HB2 ASP A 65 -8.830 -2.913 3.092 1.00 2.05 H new ATOM 0 HB3 ASP A 65 -10.089 -2.278 2.053 1.00 2.05 H new ATOM 1033 N GLN A 66 -10.204 -3.048 -0.725 1.00 2.51 N ATOM 1034 CA GLN A 66 -11.202 -3.315 -1.795 1.00 3.18 C ATOM 1035 C GLN A 66 -10.577 -3.556 -3.188 1.00 2.03 C ATOM 1036 O GLN A 66 -10.592 -4.674 -3.672 1.00 2.33 O ATOM 1037 CB GLN A 66 -12.190 -2.135 -1.862 1.00 4.50 C ATOM 1038 CG GLN A 66 -12.724 -1.807 -0.449 1.00 5.77 C ATOM 1039 CD GLN A 66 -11.738 -0.937 0.349 1.00 7.35 C ATOM 1040 OE1 GLN A 66 -10.835 -0.229 -0.274 1.00 8.49 O flip ATOM 1041 NE2 GLN A 66 -11.786 -0.877 1.558 1.00 8.25 N flip ATOM 0 H GLN A 66 -9.905 -2.078 -0.627 1.00 2.51 H new ATOM 0 HA GLN A 66 -11.711 -4.242 -1.531 1.00 3.18 H new ATOM 0 HB2 GLN A 66 -11.695 -1.260 -2.284 1.00 4.50 H new ATOM 0 HB3 GLN A 66 -13.020 -2.383 -2.524 1.00 4.50 H new ATOM 0 HG2 GLN A 66 -13.679 -1.289 -0.533 1.00 5.77 H new ATOM 0 HG3 GLN A 66 -12.911 -2.734 0.093 1.00 5.77 H new ATOM 0 HE21 GLN A 66 -12.482 -1.420 2.068 1.00 8.25 H new ATOM 0 HE22 GLN A 66 -11.130 -0.283 2.066 1.00 8.25 H new ATOM 1050 N GLN A 67 -10.070 -2.527 -3.830 1.00 1.24 N ATOM 1051 CA GLN A 67 -9.500 -2.705 -5.192 1.00 0.87 C ATOM 1052 C GLN A 67 -8.150 -1.998 -5.382 1.00 0.74 C ATOM 1053 O GLN A 67 -7.521 -1.571 -4.421 1.00 0.74 O ATOM 1054 CB GLN A 67 -10.521 -2.086 -6.136 1.00 1.78 C ATOM 1055 CG GLN A 67 -10.720 -0.592 -5.814 1.00 2.04 C ATOM 1056 CD GLN A 67 -11.313 0.107 -7.040 1.00 3.68 C ATOM 1057 OE1 GLN A 67 -12.496 0.046 -7.302 1.00 4.14 O ATOM 1058 NE2 GLN A 67 -10.514 0.751 -7.835 1.00 5.25 N ATOM 0 H GLN A 67 -10.030 -1.576 -3.464 1.00 1.24 H new ATOM 0 HA GLN A 67 -9.312 -3.763 -5.376 1.00 0.87 H new ATOM 0 HB2 GLN A 67 -10.187 -2.200 -7.167 1.00 1.78 H new ATOM 0 HB3 GLN A 67 -11.471 -2.612 -6.049 1.00 1.78 H new ATOM 0 HG2 GLN A 67 -11.384 -0.477 -4.957 1.00 2.04 H new ATOM 0 HG3 GLN A 67 -9.768 -0.135 -5.544 1.00 2.04 H new ATOM 0 HE21 GLN A 67 -9.518 0.807 -7.622 1.00 5.25 H new ATOM 0 HE22 GLN A 67 -10.882 1.201 -8.673 1.00 5.25 H new ATOM 1067 N HIS A 68 -7.731 -1.896 -6.629 1.00 1.03 N ATOM 1068 CA HIS A 68 -6.458 -1.178 -6.893 1.00 0.97 C ATOM 1069 C HIS A 68 -6.771 0.285 -6.610 1.00 0.79 C ATOM 1070 O HIS A 68 -7.835 0.761 -6.969 1.00 0.95 O ATOM 1071 CB HIS A 68 -6.010 -1.306 -8.345 1.00 1.26 C ATOM 1072 CG HIS A 68 -4.692 -0.571 -8.585 1.00 1.47 C ATOM 1073 ND1 HIS A 68 -4.635 0.465 -9.365 1.00 1.62 N ATOM 1074 CD2 HIS A 68 -3.435 -0.743 -8.068 1.00 1.69 C ATOM 1075 CE1 HIS A 68 -3.408 0.941 -9.343 1.00 1.86 C ATOM 1076 NE2 HIS A 68 -2.683 0.197 -8.550 1.00 1.90 N ATOM 0 H HIS A 68 -8.209 -2.272 -7.448 1.00 1.03 H new ATOM 0 HA HIS A 68 -5.656 -1.588 -6.279 1.00 0.97 H new ATOM 0 HB2 HIS A 68 -5.894 -2.359 -8.601 1.00 1.26 H new ATOM 0 HB3 HIS A 68 -6.780 -0.902 -9.003 1.00 1.26 H new ATOM 0 HD1 HIS A 68 -5.412 0.847 -9.905 1.00 1.62 H new ATOM 0 HD2 HIS A 68 -3.127 -1.520 -7.384 1.00 1.69 H new ATOM 0 HE1 HIS A 68 -3.058 1.804 -9.890 1.00 1.86 H new ATOM 1084 N ILE A 69 -5.861 0.975 -6.012 1.00 0.68 N ATOM 1085 CA ILE A 69 -6.136 2.399 -5.677 1.00 0.77 C ATOM 1086 C ILE A 69 -5.340 3.327 -6.589 1.00 0.89 C ATOM 1087 O ILE A 69 -5.837 4.365 -6.984 1.00 1.12 O ATOM 1088 CB ILE A 69 -5.784 2.599 -4.196 1.00 0.83 C ATOM 1089 CG1 ILE A 69 -6.615 1.637 -3.320 1.00 0.97 C ATOM 1090 CG2 ILE A 69 -6.083 4.029 -3.752 1.00 0.87 C ATOM 1091 CD1 ILE A 69 -8.096 1.581 -3.742 1.00 1.04 C ATOM 0 H ILE A 69 -4.942 0.627 -5.738 1.00 0.68 H new ATOM 0 HA ILE A 69 -7.186 2.644 -5.836 1.00 0.77 H new ATOM 0 HB ILE A 69 -4.719 2.397 -4.078 1.00 0.83 H new ATOM 0 HG12 ILE A 69 -6.186 0.637 -3.378 1.00 0.97 H new ATOM 0 HG13 ILE A 69 -6.549 1.952 -2.278 1.00 0.97 H new ATOM 0 HG21 ILE A 69 -5.825 4.145 -2.699 1.00 0.87 H new ATOM 0 HG22 ILE A 69 -5.494 4.726 -4.349 1.00 0.87 H new ATOM 0 HG23 ILE A 69 -7.144 4.239 -3.891 1.00 0.87 H new ATOM 0 HD11 ILE A 69 -8.633 0.890 -3.093 1.00 1.04 H new ATOM 0 HD12 ILE A 69 -8.536 2.575 -3.658 1.00 1.04 H new ATOM 0 HD13 ILE A 69 -8.167 1.239 -4.774 1.00 1.04 H new ATOM 1103 N GLY A 70 -4.155 2.921 -6.949 1.00 0.88 N ATOM 1104 CA GLY A 70 -3.326 3.779 -7.846 1.00 1.14 C ATOM 1105 C GLY A 70 -1.857 3.709 -7.449 1.00 0.88 C ATOM 1106 O GLY A 70 -1.406 2.695 -6.947 1.00 1.74 O ATOM 0 H GLY A 70 -3.726 2.040 -6.665 1.00 0.88 H new ATOM 0 HA2 GLY A 70 -3.445 3.454 -8.880 1.00 1.14 H new ATOM 0 HA3 GLY A 70 -3.673 4.811 -7.794 1.00 1.14 H new ATOM 1110 N GLY A 71 -1.142 4.775 -7.689 1.00 0.96 N ATOM 1111 CA GLY A 71 0.313 4.798 -7.341 1.00 0.91 C ATOM 1112 C GLY A 71 0.516 5.469 -5.983 1.00 0.90 C ATOM 1113 O GLY A 71 -0.438 5.736 -5.278 1.00 1.64 O ATOM 0 H GLY A 71 -1.500 5.632 -8.111 1.00 0.96 H new ATOM 0 HA2 GLY A 71 0.705 3.781 -7.316 1.00 0.91 H new ATOM 0 HA3 GLY A 71 0.870 5.336 -8.108 1.00 0.91 H new ATOM 1117 N TYR A 72 1.753 5.758 -5.650 1.00 0.89 N ATOM 1118 CA TYR A 72 2.011 6.401 -4.318 1.00 0.77 C ATOM 1119 C TYR A 72 1.134 7.645 -4.137 1.00 0.75 C ATOM 1120 O TYR A 72 0.522 7.802 -3.103 1.00 0.92 O ATOM 1121 CB TYR A 72 3.490 6.805 -4.171 1.00 0.86 C ATOM 1122 CG TYR A 72 3.698 7.396 -2.766 1.00 0.83 C ATOM 1123 CD1 TYR A 72 3.938 6.571 -1.680 1.00 0.86 C ATOM 1124 CD2 TYR A 72 3.541 8.753 -2.548 1.00 1.45 C ATOM 1125 CE1 TYR A 72 3.999 7.092 -0.404 1.00 0.90 C ATOM 1126 CE2 TYR A 72 3.602 9.268 -1.270 1.00 1.69 C ATOM 1127 CZ TYR A 72 3.828 8.442 -0.190 1.00 1.24 C ATOM 1128 OH TYR A 72 3.850 8.950 1.092 1.00 1.60 O ATOM 0 H TYR A 72 2.577 5.583 -6.225 1.00 0.89 H new ATOM 0 HA TYR A 72 1.765 5.666 -3.551 1.00 0.77 H new ATOM 0 HB2 TYR A 72 4.135 5.939 -4.317 1.00 0.86 H new ATOM 0 HB3 TYR A 72 3.760 7.536 -4.933 1.00 0.86 H new ATOM 0 HD1 TYR A 72 4.079 5.511 -1.833 1.00 0.86 H new ATOM 0 HD2 TYR A 72 3.369 9.414 -3.385 1.00 1.45 H new ATOM 0 HE1 TYR A 72 4.182 6.436 0.434 1.00 0.90 H new ATOM 0 HE2 TYR A 72 3.471 10.329 -1.114 1.00 1.69 H new ATOM 0 HH TYR A 72 3.715 9.920 1.062 1.00 1.60 H new ATOM 1138 N THR A 73 1.083 8.501 -5.118 1.00 0.86 N ATOM 1139 CA THR A 73 0.233 9.721 -4.983 1.00 0.95 C ATOM 1140 C THR A 73 -1.242 9.318 -4.828 1.00 0.98 C ATOM 1141 O THR A 73 -1.873 9.612 -3.831 1.00 1.19 O ATOM 1142 CB THR A 73 0.417 10.578 -6.248 1.00 1.11 C ATOM 1143 OG1 THR A 73 0.568 9.628 -7.301 1.00 1.24 O ATOM 1144 CG2 THR A 73 1.737 11.359 -6.229 1.00 1.19 C ATOM 0 H THR A 73 1.587 8.413 -6.000 1.00 0.86 H new ATOM 0 HA THR A 73 0.528 10.289 -4.101 1.00 0.95 H new ATOM 0 HB THR A 73 -0.413 11.278 -6.342 1.00 1.11 H new ATOM 0 HG1 THR A 73 0.690 10.099 -8.152 1.00 1.24 H new ATOM 0 HG21 THR A 73 1.824 11.949 -7.141 1.00 1.19 H new ATOM 0 HG22 THR A 73 1.755 12.022 -5.364 1.00 1.19 H new ATOM 0 HG23 THR A 73 2.572 10.661 -6.168 1.00 1.19 H new ATOM 1152 N ASP A 74 -1.731 8.667 -5.842 1.00 1.02 N ATOM 1153 CA ASP A 74 -3.148 8.194 -5.872 1.00 1.13 C ATOM 1154 C ASP A 74 -3.514 7.597 -4.509 1.00 1.06 C ATOM 1155 O ASP A 74 -4.465 8.000 -3.871 1.00 1.24 O ATOM 1156 CB ASP A 74 -3.304 7.106 -6.954 1.00 1.19 C ATOM 1157 CG ASP A 74 -2.659 7.479 -8.312 1.00 1.84 C ATOM 1158 OD1 ASP A 74 -2.011 8.516 -8.367 1.00 2.63 O ATOM 1159 OD2 ASP A 74 -2.793 6.648 -9.220 1.00 2.91 O ATOM 0 H ASP A 74 -1.195 8.434 -6.678 1.00 1.02 H new ATOM 0 HA ASP A 74 -3.805 9.034 -6.097 1.00 1.13 H new ATOM 0 HB2 ASP A 74 -2.857 6.180 -6.592 1.00 1.19 H new ATOM 0 HB3 ASP A 74 -4.365 6.909 -7.108 1.00 1.19 H new ATOM 1164 N PHE A 75 -2.714 6.658 -4.091 1.00 0.86 N ATOM 1165 CA PHE A 75 -2.944 5.993 -2.785 1.00 0.84 C ATOM 1166 C PHE A 75 -2.861 7.029 -1.666 1.00 0.90 C ATOM 1167 O PHE A 75 -3.789 7.187 -0.918 1.00 1.11 O ATOM 1168 CB PHE A 75 -1.871 4.910 -2.602 1.00 0.81 C ATOM 1169 CG PHE A 75 -1.974 4.262 -1.215 1.00 0.76 C ATOM 1170 CD1 PHE A 75 -3.129 3.622 -0.809 1.00 0.78 C ATOM 1171 CD2 PHE A 75 -0.883 4.278 -0.369 1.00 0.85 C ATOM 1172 CE1 PHE A 75 -3.185 3.004 0.422 1.00 0.75 C ATOM 1173 CE2 PHE A 75 -0.939 3.659 0.860 1.00 0.91 C ATOM 1174 CZ PHE A 75 -2.090 3.021 1.253 1.00 0.80 C ATOM 0 H PHE A 75 -1.901 6.321 -4.607 1.00 0.86 H new ATOM 0 HA PHE A 75 -3.932 5.534 -2.754 1.00 0.84 H new ATOM 0 HB2 PHE A 75 -1.984 4.148 -3.373 1.00 0.81 H new ATOM 0 HB3 PHE A 75 -0.881 5.348 -2.730 1.00 0.81 H new ATOM 0 HD1 PHE A 75 -3.992 3.606 -1.459 1.00 0.78 H new ATOM 0 HD2 PHE A 75 0.023 4.781 -0.674 1.00 0.85 H new ATOM 0 HE1 PHE A 75 -4.091 2.506 0.734 1.00 0.75 H new ATOM 0 HE2 PHE A 75 -0.079 3.675 1.514 1.00 0.91 H new ATOM 0 HZ PHE A 75 -2.135 2.533 2.215 1.00 0.80 H new ATOM 1184 N ALA A 76 -1.752 7.716 -1.571 1.00 0.78 N ATOM 1185 CA ALA A 76 -1.600 8.755 -0.501 1.00 0.88 C ATOM 1186 C ALA A 76 -2.889 9.575 -0.368 1.00 0.98 C ATOM 1187 O ALA A 76 -3.468 9.678 0.699 1.00 1.06 O ATOM 1188 CB ALA A 76 -0.430 9.670 -0.876 1.00 0.92 C ATOM 0 H ALA A 76 -0.945 7.605 -2.185 1.00 0.78 H new ATOM 0 HA ALA A 76 -1.404 8.273 0.457 1.00 0.88 H new ATOM 0 HB1 ALA A 76 -0.304 10.433 -0.108 1.00 0.92 H new ATOM 0 HB2 ALA A 76 0.483 9.080 -0.954 1.00 0.92 H new ATOM 0 HB3 ALA A 76 -0.635 10.149 -1.833 1.00 0.92 H new ATOM 1194 N ALA A 77 -3.311 10.126 -1.476 1.00 1.03 N ATOM 1195 CA ALA A 77 -4.558 10.941 -1.482 1.00 1.20 C ATOM 1196 C ALA A 77 -5.714 10.060 -1.018 1.00 1.18 C ATOM 1197 O ALA A 77 -6.361 10.364 -0.043 1.00 1.25 O ATOM 1198 CB ALA A 77 -4.824 11.452 -2.904 1.00 1.30 C ATOM 0 H ALA A 77 -2.843 10.045 -2.379 1.00 1.03 H new ATOM 0 HA ALA A 77 -4.456 11.796 -0.814 1.00 1.20 H new ATOM 0 HB1 ALA A 77 -5.736 12.049 -2.911 1.00 1.30 H new ATOM 0 HB2 ALA A 77 -3.986 12.066 -3.233 1.00 1.30 H new ATOM 0 HB3 ALA A 77 -4.939 10.604 -3.580 1.00 1.30 H new ATOM 1204 N TRP A 78 -5.925 8.974 -1.717 1.00 1.11 N ATOM 1205 CA TRP A 78 -7.022 8.042 -1.332 1.00 1.11 C ATOM 1206 C TRP A 78 -7.034 7.885 0.192 1.00 1.06 C ATOM 1207 O TRP A 78 -8.063 7.995 0.819 1.00 1.19 O ATOM 1208 CB TRP A 78 -6.807 6.677 -1.988 1.00 1.06 C ATOM 1209 CG TRP A 78 -7.948 5.687 -1.755 1.00 1.16 C ATOM 1210 CD1 TRP A 78 -9.040 5.507 -2.554 1.00 1.35 C ATOM 1211 CD2 TRP A 78 -8.190 4.887 -0.666 1.00 1.20 C ATOM 1212 NE1 TRP A 78 -9.873 4.673 -1.999 1.00 1.43 N ATOM 1213 CE2 TRP A 78 -9.411 4.256 -0.834 1.00 1.36 C ATOM 1214 CE3 TRP A 78 -7.432 4.705 0.476 1.00 1.25 C ATOM 1215 CZ2 TRP A 78 -9.902 3.439 0.154 1.00 1.50 C ATOM 1216 CZ3 TRP A 78 -7.947 3.882 1.462 1.00 1.47 C ATOM 1217 CH2 TRP A 78 -9.170 3.253 1.304 1.00 1.57 C ATOM 0 H TRP A 78 -5.385 8.695 -2.536 1.00 1.11 H new ATOM 0 HA TRP A 78 -7.976 8.447 -1.670 1.00 1.11 H new ATOM 0 HB2 TRP A 78 -6.676 6.818 -3.061 1.00 1.06 H new ATOM 0 HB3 TRP A 78 -5.882 6.245 -1.608 1.00 1.06 H new ATOM 0 HD1 TRP A 78 -9.192 5.987 -3.509 1.00 1.35 H new ATOM 0 HE1 TRP A 78 -10.761 4.382 -2.408 1.00 1.43 H new ATOM 0 HE3 TRP A 78 -6.473 5.188 0.594 1.00 1.25 H new ATOM 0 HZ2 TRP A 78 -10.855 2.946 0.030 1.00 1.50 H new ATOM 0 HZ3 TRP A 78 -7.385 3.728 2.371 1.00 1.47 H new ATOM 0 HH2 TRP A 78 -9.551 2.614 2.087 1.00 1.57 H new ATOM 1228 N VAL A 79 -5.871 7.661 0.752 1.00 0.94 N ATOM 1229 CA VAL A 79 -5.750 7.506 2.236 1.00 1.00 C ATOM 1230 C VAL A 79 -6.184 8.802 2.922 1.00 1.13 C ATOM 1231 O VAL A 79 -6.747 8.772 3.997 1.00 1.11 O ATOM 1232 CB VAL A 79 -4.286 7.191 2.588 1.00 0.94 C ATOM 1233 CG1 VAL A 79 -4.103 7.099 4.107 1.00 1.07 C ATOM 1234 CG2 VAL A 79 -3.906 5.844 1.978 1.00 1.03 C ATOM 0 H VAL A 79 -4.992 7.578 0.241 1.00 0.94 H new ATOM 0 HA VAL A 79 -6.390 6.693 2.578 1.00 1.00 H new ATOM 0 HB VAL A 79 -3.655 7.989 2.196 1.00 0.94 H new ATOM 0 HG11 VAL A 79 -3.061 6.876 4.335 1.00 1.07 H new ATOM 0 HG12 VAL A 79 -4.379 8.049 4.565 1.00 1.07 H new ATOM 0 HG13 VAL A 79 -4.739 6.307 4.503 1.00 1.07 H new ATOM 0 HG21 VAL A 79 -2.869 5.613 2.223 1.00 1.03 H new ATOM 0 HG22 VAL A 79 -4.556 5.066 2.380 1.00 1.03 H new ATOM 0 HG23 VAL A 79 -4.021 5.889 0.895 1.00 1.03 H new ATOM 1244 N LYS A 80 -5.860 9.910 2.315 1.00 1.43 N ATOM 1245 CA LYS A 80 -6.248 11.229 2.880 1.00 1.67 C ATOM 1246 C LYS A 80 -7.565 11.749 2.283 1.00 2.09 C ATOM 1247 O LYS A 80 -7.821 12.944 2.288 1.00 3.31 O ATOM 1248 CB LYS A 80 -5.106 12.204 2.600 1.00 1.39 C ATOM 1249 CG LYS A 80 -4.579 12.740 3.933 1.00 1.39 C ATOM 1250 CD LYS A 80 -3.959 11.609 4.787 1.00 3.18 C ATOM 1251 CE LYS A 80 -4.764 11.411 6.089 1.00 3.77 C ATOM 1252 NZ LYS A 80 -5.838 10.385 5.935 1.00 4.13 N ATOM 0 H LYS A 80 -5.336 9.956 1.441 1.00 1.43 H new ATOM 0 HA LYS A 80 -6.419 11.128 3.952 1.00 1.67 H new ATOM 0 HB2 LYS A 80 -4.308 11.703 2.052 1.00 1.39 H new ATOM 0 HB3 LYS A 80 -5.455 13.025 1.974 1.00 1.39 H new ATOM 0 HG2 LYS A 80 -3.831 13.511 3.747 1.00 1.39 H new ATOM 0 HG3 LYS A 80 -5.392 13.212 4.485 1.00 1.39 H new ATOM 0 HD2 LYS A 80 -3.945 10.680 4.216 1.00 3.18 H new ATOM 0 HD3 LYS A 80 -2.924 11.852 5.026 1.00 3.18 H new ATOM 0 HE2 LYS A 80 -4.089 11.111 6.890 1.00 3.77 H new ATOM 0 HE3 LYS A 80 -5.210 12.360 6.387 1.00 3.77 H new ATOM 0 HZ1 LYS A 80 -5.865 9.781 6.781 1.00 4.13 H new ATOM 0 HZ2 LYS A 80 -6.756 10.859 5.818 1.00 4.13 H new ATOM 0 HZ3 LYS A 80 -5.641 9.799 5.098 1.00 4.13 H new ATOM 1266 N GLU A 81 -8.354 10.846 1.766 1.00 1.55 N ATOM 1267 CA GLU A 81 -9.678 11.240 1.187 1.00 1.83 C ATOM 1268 C GLU A 81 -10.774 10.268 1.661 1.00 1.86 C ATOM 1269 O GLU A 81 -11.867 10.677 1.991 1.00 2.01 O ATOM 1270 CB GLU A 81 -9.577 11.236 -0.345 1.00 1.93 C ATOM 1271 CG GLU A 81 -8.593 12.334 -0.793 1.00 2.31 C ATOM 1272 CD GLU A 81 -8.272 12.194 -2.291 1.00 3.55 C ATOM 1273 OE1 GLU A 81 -7.932 11.082 -2.677 1.00 4.56 O ATOM 1274 OE2 GLU A 81 -8.373 13.211 -2.968 1.00 4.26 O ATOM 0 H GLU A 81 -8.141 9.850 1.718 1.00 1.55 H new ATOM 0 HA GLU A 81 -9.944 12.241 1.526 1.00 1.83 H new ATOM 0 HB2 GLU A 81 -9.237 10.262 -0.696 1.00 1.93 H new ATOM 0 HB3 GLU A 81 -10.559 11.409 -0.786 1.00 1.93 H new ATOM 0 HG2 GLU A 81 -9.022 13.317 -0.598 1.00 2.31 H new ATOM 0 HG3 GLU A 81 -7.674 12.266 -0.211 1.00 2.31 H new ATOM 1281 N ASN A 82 -10.444 9.000 1.694 1.00 1.93 N ATOM 1282 CA ASN A 82 -11.430 7.965 2.134 1.00 1.97 C ATOM 1283 C ASN A 82 -11.325 7.661 3.635 1.00 1.99 C ATOM 1284 O ASN A 82 -12.277 7.183 4.208 1.00 2.12 O ATOM 1285 CB ASN A 82 -11.191 6.646 1.369 1.00 1.83 C ATOM 1286 CG ASN A 82 -11.903 6.654 0.011 1.00 2.03 C ATOM 1287 OD1 ASN A 82 -12.552 5.703 -0.368 1.00 2.14 O ATOM 1288 ND2 ASN A 82 -11.789 7.688 -0.763 1.00 2.55 N ATOM 0 H ASN A 82 -9.528 8.636 1.433 1.00 1.93 H new ATOM 0 HA ASN A 82 -12.420 8.370 1.923 1.00 1.97 H new ATOM 0 HB2 ASN A 82 -10.121 6.498 1.221 1.00 1.83 H new ATOM 0 HB3 ASN A 82 -11.549 5.807 1.965 1.00 1.83 H new ATOM 0 HD21 ASN A 82 -12.242 7.693 -1.677 1.00 2.55 H new ATOM 0 HD22 ASN A 82 -11.246 8.496 -0.458 1.00 2.55 H new ATOM 1295 N LEU A 83 -10.194 7.913 4.255 1.00 1.92 N ATOM 1296 CA LEU A 83 -10.098 7.591 5.722 1.00 2.06 C ATOM 1297 C LEU A 83 -10.267 8.858 6.573 1.00 2.31 C ATOM 1298 O LEU A 83 -10.006 8.841 7.766 1.00 2.28 O ATOM 1299 CB LEU A 83 -8.723 6.981 6.047 1.00 1.93 C ATOM 1300 CG LEU A 83 -8.396 5.775 5.147 1.00 1.64 C ATOM 1301 CD1 LEU A 83 -7.088 5.147 5.632 1.00 1.63 C ATOM 1302 CD2 LEU A 83 -9.497 4.711 5.237 1.00 1.64 C ATOM 0 H LEU A 83 -9.358 8.314 3.829 1.00 1.92 H new ATOM 0 HA LEU A 83 -10.892 6.881 5.953 1.00 2.06 H new ATOM 0 HB2 LEU A 83 -7.952 7.742 5.927 1.00 1.93 H new ATOM 0 HB3 LEU A 83 -8.703 6.669 7.091 1.00 1.93 H new ATOM 0 HG LEU A 83 -8.315 6.120 4.116 1.00 1.64 H new ATOM 0 HD11 LEU A 83 -6.841 4.290 5.005 1.00 1.63 H new ATOM 0 HD12 LEU A 83 -6.287 5.883 5.572 1.00 1.63 H new ATOM 0 HD13 LEU A 83 -7.203 4.819 6.665 1.00 1.63 H new ATOM 0 HD21 LEU A 83 -9.243 3.869 4.593 1.00 1.64 H new ATOM 0 HD22 LEU A 83 -9.586 4.366 6.267 1.00 1.64 H new ATOM 0 HD23 LEU A 83 -10.446 5.141 4.915 1.00 1.64 H new ATOM 1314 N ASP A 84 -10.719 9.911 5.948 1.00 2.70 N ATOM 1315 CA ASP A 84 -10.903 11.198 6.690 1.00 2.99 C ATOM 1316 C ASP A 84 -12.385 11.588 6.747 1.00 3.53 C ATOM 1317 O ASP A 84 -12.957 11.668 7.818 1.00 3.94 O ATOM 1318 CB ASP A 84 -10.075 12.270 5.969 1.00 3.71 C ATOM 1319 CG ASP A 84 -8.615 11.802 5.913 1.00 3.81 C ATOM 1320 OD1 ASP A 84 -8.321 10.997 5.043 1.00 4.62 O ATOM 1321 OD2 ASP A 84 -7.858 12.230 6.772 1.00 3.81 O ATOM 0 H ASP A 84 -10.969 9.939 4.959 1.00 2.70 H new ATOM 0 HA ASP A 84 -10.565 11.095 7.721 1.00 2.99 H new ATOM 0 HB2 ASP A 84 -10.460 12.432 4.962 1.00 3.71 H new ATOM 0 HB3 ASP A 84 -10.148 13.222 6.495 1.00 3.71 H new