USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 816 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: B 31 SER OG : rot 180:sc= 0.114 USER MOD Set 1.2: B 34 THR OG1 : rot 180:sc= 0.0489 USER MOD Set 2.1: B 16 SER OG : rot -41:sc= 1.26 USER MOD Set 2.2: B 19 THR OG1 : rot -150:sc= 1.04 USER MOD Set 3.1: B 7 TYR OH : rot -82:sc= 0.934 USER MOD Set 3.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.477 X(o=0.057,f=0.46) USER MOD Set 4.2: A 54 GLN : amide:sc= 0.534 K(o=0.057,f=-5.6!) USER MOD Set 5.1: A 31 SER OG : rot 9:sc= 0.894 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.923 USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.366 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 1.17 K(o=1.2,f=-0.031) USER MOD Single : A 19 THR OG1 : rot -170:sc=0.000574 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.057 F(o=-0.6,f=-0.057) USER MOD Single : A 28 SER OG : rot -71:sc= 0.717 USER MOD Single : A 29 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0344 (180deg=-0.261) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00316) USER MOD Single : A 42 MET CE :methyl 135:sc= -2.16! (180deg=-5.22!) USER MOD Single : A 46 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : B 5 THR OG1 : rot -62:sc= -0.389! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN :FLIP amide:sc= -0.333 F(o=-1.8!,f=-0.33) USER MOD Single : B 21 SER OG : rot 180:sc= 0.00412 USER MOD Single : B 25 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : B 29 HIS :FLIP no HE2:sc= -0.121 F(o=-1,f=-0.12) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -139:sc= -0.0809 (180deg=-2.39!) USER MOD Single : B 46 ASN : amide:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : B 47 TYR OH : rot 180:sc= -0.927 USER MOD Single : B 50 ASN : amide:sc= -4.25! C(o=-4.3!,f=-11!) USER MOD Single : B 54 GLN : amide:sc= -1.05 K(o=-1,f=-2.6!) USER MOD Single : B 55 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.185 -10.797 12.407 1.00 0.87 N ATOM 43 CA PRO A 3 5.643 -10.333 11.099 1.00 0.67 C ATOM 44 C PRO A 3 6.564 -9.112 11.201 1.00 0.57 C ATOM 45 O PRO A 3 6.116 -7.990 11.447 1.00 0.62 O ATOM 46 CB PRO A 3 4.345 -9.971 10.374 1.00 0.89 C ATOM 47 CG PRO A 3 3.375 -9.640 11.459 1.00 1.30 C ATOM 48 CD PRO A 3 3.768 -10.467 12.656 1.00 1.15 C ATOM 0 HA PRO A 3 6.235 -11.089 10.584 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.491 -9.124 9.703 1.00 0.89 H new ATOM 0 HB3 PRO A 3 3.988 -10.802 9.766 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.407 -8.576 11.696 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.355 -9.867 11.149 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.644 -9.910 13.585 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.157 -11.366 12.739 1.00 1.15 H new ATOM 56 N VAL A 4 7.854 -9.341 11.006 1.00 0.48 N ATOM 57 CA VAL A 4 8.839 -8.277 11.065 1.00 0.41 C ATOM 58 C VAL A 4 9.052 -7.719 9.669 1.00 0.36 C ATOM 59 O VAL A 4 9.219 -8.478 8.712 1.00 0.37 O ATOM 60 CB VAL A 4 10.174 -8.784 11.645 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.190 -7.659 11.726 1.00 0.39 C ATOM 62 CG2 VAL A 4 9.953 -9.402 13.015 1.00 0.54 C ATOM 0 H VAL A 4 8.243 -10.262 10.804 1.00 0.48 H new ATOM 0 HA VAL A 4 8.469 -7.492 11.725 1.00 0.41 H new ATOM 0 HB VAL A 4 10.569 -9.549 10.977 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.124 -8.041 12.138 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.371 -7.259 10.728 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.806 -6.868 12.370 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.904 -9.756 13.412 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.534 -8.654 13.688 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.262 -10.240 12.929 1.00 0.54 H new ATOM 72 N THR A 5 9.035 -6.401 9.552 1.00 0.33 N ATOM 73 CA THR A 5 9.187 -5.755 8.265 1.00 0.31 C ATOM 74 C THR A 5 10.573 -5.152 8.129 1.00 0.26 C ATOM 75 O THR A 5 11.352 -5.137 9.086 1.00 0.26 O ATOM 76 CB THR A 5 8.101 -4.666 8.064 1.00 0.36 C ATOM 77 OG1 THR A 5 8.575 -3.396 8.529 1.00 0.37 O ATOM 78 CG2 THR A 5 6.831 -5.034 8.821 1.00 0.41 C ATOM 0 H THR A 5 8.917 -5.759 10.336 1.00 0.33 H new ATOM 0 HA THR A 5 9.062 -6.511 7.490 1.00 0.31 H new ATOM 0 HB THR A 5 7.880 -4.602 6.999 1.00 0.36 H new ATOM 0 HG1 THR A 5 7.818 -2.861 8.847 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.079 -4.259 8.669 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.450 -5.986 8.452 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.053 -5.120 9.885 1.00 0.41 H new ATOM 86 N LEU A 6 10.883 -4.665 6.936 1.00 0.24 N ATOM 87 CA LEU A 6 12.175 -4.051 6.673 1.00 0.20 C ATOM 88 C LEU A 6 12.346 -2.778 7.503 1.00 0.21 C ATOM 89 O LEU A 6 13.461 -2.304 7.700 1.00 0.20 O ATOM 90 CB LEU A 6 12.340 -3.755 5.174 1.00 0.21 C ATOM 91 CG LEU A 6 11.666 -2.483 4.650 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.000 -2.287 3.186 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.158 -2.526 4.839 1.00 0.29 C ATOM 0 H LEU A 6 10.255 -4.684 6.133 1.00 0.24 H new ATOM 0 HA LEU A 6 12.955 -4.754 6.967 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.406 -3.692 4.954 1.00 0.21 H new ATOM 0 HB3 LEU A 6 11.949 -4.604 4.614 1.00 0.21 H new ATOM 0 HG LEU A 6 12.048 -1.641 5.228 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.517 -1.381 2.821 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.080 -2.196 3.068 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.644 -3.144 2.614 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.717 -1.606 4.455 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.748 -3.379 4.298 1.00 0.29 H new ATOM 0 HD23 LEU A 6 9.927 -2.624 5.900 1.00 0.29 H new ATOM 105 N TYR A 7 11.235 -2.247 8.009 1.00 0.25 N ATOM 106 CA TYR A 7 11.271 -1.044 8.826 1.00 0.28 C ATOM 107 C TYR A 7 11.819 -1.358 10.212 1.00 0.28 C ATOM 108 O TYR A 7 12.501 -0.531 10.822 1.00 0.30 O ATOM 109 CB TYR A 7 9.878 -0.417 8.941 1.00 0.34 C ATOM 110 CG TYR A 7 9.322 0.104 7.634 1.00 0.36 C ATOM 111 CD1 TYR A 7 9.903 1.188 6.986 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.205 -0.485 7.052 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.386 1.665 5.799 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.685 -0.010 5.864 1.00 0.44 C ATOM 115 CZ TYR A 7 8.281 1.066 5.243 1.00 0.44 C ATOM 116 OH TYR A 7 7.770 1.545 4.060 1.00 0.49 O ATOM 0 H TYR A 7 10.302 -2.633 7.866 1.00 0.25 H new ATOM 0 HA TYR A 7 11.931 -0.327 8.339 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.190 -1.160 9.345 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.919 0.403 9.658 1.00 0.34 H new ATOM 0 HD1 TYR A 7 10.771 1.663 7.418 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.736 -1.328 7.537 1.00 0.41 H new ATOM 0 HE1 TYR A 7 9.849 2.508 5.307 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.817 -0.479 5.425 1.00 0.44 H new ATOM 0 HH TYR A 7 6.990 1.011 3.801 1.00 0.49 H new ATOM 126 N ASP A 8 11.531 -2.559 10.708 1.00 0.28 N ATOM 127 CA ASP A 8 12.017 -2.960 12.022 1.00 0.29 C ATOM 128 C ASP A 8 13.499 -3.300 11.940 1.00 0.24 C ATOM 129 O ASP A 8 14.261 -3.038 12.869 1.00 0.25 O ATOM 130 CB ASP A 8 11.232 -4.153 12.565 1.00 0.35 C ATOM 131 CG ASP A 8 11.310 -4.253 14.078 1.00 0.93 C ATOM 132 OD1 ASP A 8 11.339 -3.197 14.746 1.00 1.51 O ATOM 133 OD2 ASP A 8 11.348 -5.385 14.606 1.00 1.75 O ATOM 0 H ASP A 8 10.971 -3.262 10.226 1.00 0.28 H new ATOM 0 HA ASP A 8 11.873 -2.126 12.709 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.189 -4.067 12.262 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.618 -5.071 12.122 1.00 0.35 H new ATOM 138 N VAL A 9 13.901 -3.876 10.814 1.00 0.21 N ATOM 139 CA VAL A 9 15.295 -4.232 10.589 1.00 0.19 C ATOM 140 C VAL A 9 16.118 -2.967 10.430 1.00 0.18 C ATOM 141 O VAL A 9 17.213 -2.842 10.980 1.00 0.20 O ATOM 142 CB VAL A 9 15.460 -5.098 9.329 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.891 -5.583 9.190 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.492 -6.259 9.363 1.00 0.22 C ATOM 0 H VAL A 9 13.278 -4.107 10.040 1.00 0.21 H new ATOM 0 HA VAL A 9 15.639 -4.807 11.449 1.00 0.19 H new ATOM 0 HB VAL A 9 15.232 -4.487 8.455 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.983 -6.193 8.292 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.560 -4.726 9.116 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.160 -6.179 10.062 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.619 -6.865 8.466 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.688 -6.870 10.244 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.471 -5.880 9.404 1.00 0.22 H new ATOM 154 N ALA A 10 15.571 -2.030 9.666 1.00 0.19 N ATOM 155 CA ALA A 10 16.215 -0.745 9.435 1.00 0.22 C ATOM 156 C ALA A 10 16.396 -0.009 10.750 1.00 0.26 C ATOM 157 O ALA A 10 17.438 0.587 11.002 1.00 0.30 O ATOM 158 CB ALA A 10 15.396 0.094 8.464 1.00 0.26 C ATOM 0 H ALA A 10 14.674 -2.139 9.192 1.00 0.19 H new ATOM 0 HA ALA A 10 17.196 -0.920 8.994 1.00 0.22 H new ATOM 0 HB1 ALA A 10 15.892 1.051 8.303 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.306 -0.433 7.514 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.403 0.265 8.879 1.00 0.26 H new ATOM 164 N GLU A 11 15.377 -0.086 11.595 1.00 0.29 N ATOM 165 CA GLU A 11 15.401 0.560 12.899 1.00 0.35 C ATOM 166 C GLU A 11 16.372 -0.162 13.836 1.00 0.37 C ATOM 167 O GLU A 11 16.990 0.458 14.705 1.00 0.46 O ATOM 168 CB GLU A 11 13.987 0.573 13.488 1.00 0.37 C ATOM 169 CG GLU A 11 13.847 1.375 14.767 1.00 0.94 C ATOM 170 CD GLU A 11 12.398 1.648 15.110 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.694 0.709 15.537 1.00 2.21 O ATOM 172 OE2 GLU A 11 11.949 2.805 14.938 1.00 2.14 O ATOM 0 H GLU A 11 14.515 -0.595 11.397 1.00 0.29 H new ATOM 0 HA GLU A 11 15.747 1.587 12.785 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.301 0.977 12.744 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.678 -0.454 13.682 1.00 0.37 H new ATOM 0 HG2 GLU A 11 14.318 0.834 15.588 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.379 2.321 14.662 1.00 0.94 H new ATOM 179 N TYR A 12 16.519 -1.470 13.634 1.00 0.32 N ATOM 180 CA TYR A 12 17.408 -2.283 14.454 1.00 0.38 C ATOM 181 C TYR A 12 18.867 -2.060 14.069 1.00 0.38 C ATOM 182 O TYR A 12 19.745 -1.996 14.929 1.00 0.45 O ATOM 183 CB TYR A 12 17.054 -3.767 14.314 1.00 0.39 C ATOM 184 CG TYR A 12 17.442 -4.601 15.514 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.769 -4.925 15.769 1.00 1.10 C ATOM 186 CD2 TYR A 12 16.475 -5.055 16.397 1.00 1.38 C ATOM 187 CE1 TYR A 12 19.118 -5.675 16.874 1.00 1.07 C ATOM 188 CE2 TYR A 12 16.814 -5.808 17.501 1.00 1.49 C ATOM 189 CZ TYR A 12 18.135 -6.113 17.738 1.00 0.69 C ATOM 190 OH TYR A 12 18.474 -6.857 18.844 1.00 0.82 O ATOM 0 H TYR A 12 16.030 -1.989 12.905 1.00 0.32 H new ATOM 0 HA TYR A 12 17.276 -1.980 15.493 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.981 -3.861 14.149 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.549 -4.167 13.429 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.539 -4.585 15.092 1.00 1.10 H new ATOM 0 HD2 TYR A 12 15.438 -4.815 16.217 1.00 1.38 H new ATOM 0 HE1 TYR A 12 20.154 -5.917 17.061 1.00 1.07 H new ATOM 0 HE2 TYR A 12 16.047 -6.157 18.176 1.00 1.49 H new ATOM 0 HH TYR A 12 17.664 -7.083 19.347 1.00 0.82 H new ATOM 200 N ALA A 13 19.122 -1.941 12.770 1.00 0.33 N ATOM 201 CA ALA A 13 20.478 -1.739 12.272 1.00 0.36 C ATOM 202 C ALA A 13 20.855 -0.263 12.249 1.00 0.39 C ATOM 203 O ALA A 13 22.032 0.088 12.156 1.00 0.46 O ATOM 204 CB ALA A 13 20.619 -2.334 10.881 1.00 0.33 C ATOM 0 H ALA A 13 18.407 -1.981 12.043 1.00 0.33 H new ATOM 0 HA ALA A 13 21.160 -2.247 12.954 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.635 -2.177 10.519 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.408 -3.403 10.919 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.915 -1.849 10.205 1.00 0.33 H new ATOM 210 N GLY A 14 19.855 0.598 12.339 1.00 0.38 N ATOM 211 CA GLY A 14 20.105 2.022 12.307 1.00 0.43 C ATOM 212 C GLY A 14 20.305 2.516 10.892 1.00 0.43 C ATOM 213 O GLY A 14 21.067 3.449 10.639 1.00 0.52 O ATOM 0 H GLY A 14 18.874 0.336 12.434 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.268 2.550 12.763 1.00 0.43 H new ATOM 0 HA3 GLY A 14 20.989 2.251 12.902 1.00 0.43 H new ATOM 217 N VAL A 15 19.599 1.882 9.975 1.00 0.35 N ATOM 218 CA VAL A 15 19.682 2.207 8.568 1.00 0.35 C ATOM 219 C VAL A 15 18.306 2.556 8.039 1.00 0.34 C ATOM 220 O VAL A 15 17.337 2.629 8.796 1.00 0.36 O ATOM 221 CB VAL A 15 20.249 1.018 7.753 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.676 0.708 8.172 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.372 -0.220 7.909 1.00 0.28 C ATOM 0 H VAL A 15 18.950 1.125 10.188 1.00 0.35 H new ATOM 0 HA VAL A 15 20.353 3.059 8.459 1.00 0.35 H new ATOM 0 HB VAL A 15 20.251 1.307 6.702 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.053 -0.130 7.586 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.304 1.582 8.000 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.696 0.449 9.231 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.793 -1.040 7.327 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.330 -0.506 8.960 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.366 -0.000 7.552 1.00 0.28 H new ATOM 233 N SER A 16 18.225 2.776 6.748 1.00 0.35 N ATOM 234 CA SER A 16 16.961 3.090 6.123 1.00 0.35 C ATOM 235 C SER A 16 16.346 1.815 5.575 1.00 0.32 C ATOM 236 O SER A 16 17.057 0.838 5.339 1.00 0.32 O ATOM 237 CB SER A 16 17.163 4.115 5.018 1.00 0.40 C ATOM 238 OG SER A 16 17.883 5.231 5.508 1.00 1.26 O ATOM 0 H SER A 16 19.020 2.743 6.109 1.00 0.35 H new ATOM 0 HA SER A 16 16.283 3.521 6.860 1.00 0.35 H new ATOM 0 HB2 SER A 16 17.703 3.662 4.187 1.00 0.40 H new ATOM 0 HB3 SER A 16 16.196 4.438 4.632 1.00 0.40 H new ATOM 0 HG SER A 16 18.008 5.882 4.786 1.00 1.26 H new ATOM 244 N TYR A 17 15.033 1.808 5.387 1.00 0.32 N ATOM 245 CA TYR A 17 14.362 0.618 4.870 1.00 0.30 C ATOM 246 C TYR A 17 14.898 0.246 3.491 1.00 0.31 C ATOM 247 O TYR A 17 14.975 -0.935 3.143 1.00 0.30 O ATOM 248 CB TYR A 17 12.837 0.787 4.858 1.00 0.33 C ATOM 249 CG TYR A 17 12.306 1.887 3.964 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.199 3.189 4.429 1.00 1.27 C ATOM 251 CD2 TYR A 17 11.881 1.614 2.670 1.00 1.14 C ATOM 252 CE1 TYR A 17 11.691 4.192 3.629 1.00 1.32 C ATOM 253 CE2 TYR A 17 11.369 2.610 1.864 1.00 1.16 C ATOM 254 CZ TYR A 17 11.276 3.897 2.348 1.00 0.54 C ATOM 255 OH TYR A 17 10.767 4.894 1.545 1.00 0.65 O ATOM 0 H TYR A 17 14.418 2.598 5.580 1.00 0.32 H new ATOM 0 HA TYR A 17 14.584 -0.208 5.546 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.388 -0.157 4.548 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.503 0.980 5.878 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.519 3.422 5.434 1.00 1.27 H new ATOM 0 HD2 TYR A 17 11.952 0.606 2.289 1.00 1.14 H new ATOM 0 HE1 TYR A 17 11.619 5.202 4.004 1.00 1.32 H new ATOM 0 HE2 TYR A 17 11.043 2.382 0.860 1.00 1.16 H new ATOM 0 HH TYR A 17 10.523 4.519 0.673 1.00 0.65 H new ATOM 265 N GLN A 18 15.286 1.256 2.717 1.00 0.35 N ATOM 266 CA GLN A 18 15.859 1.027 1.401 1.00 0.37 C ATOM 267 C GLN A 18 17.201 0.321 1.557 1.00 0.33 C ATOM 268 O GLN A 18 17.570 -0.514 0.737 1.00 0.34 O ATOM 269 CB GLN A 18 16.025 2.355 0.645 1.00 0.46 C ATOM 270 CG GLN A 18 16.915 2.250 -0.585 1.00 0.77 C ATOM 271 CD GLN A 18 16.288 1.450 -1.713 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.666 2.008 -2.606 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.461 0.138 -1.690 1.00 1.09 N ATOM 0 H GLN A 18 15.213 2.238 2.981 1.00 0.35 H new ATOM 0 HA GLN A 18 15.188 0.396 0.818 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.042 2.716 0.342 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.443 3.099 1.323 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.146 3.253 -0.945 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.861 1.787 -0.302 1.00 0.77 H new ATOM 0 HE21 GLN A 18 16.986 -0.294 -0.929 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.070 -0.441 -2.433 1.00 1.09 H new ATOM 282 N THR A 19 17.907 0.636 2.640 1.00 0.33 N ATOM 283 CA THR A 19 19.200 0.036 2.918 1.00 0.34 C ATOM 284 C THR A 19 19.030 -1.450 3.206 1.00 0.29 C ATOM 285 O THR A 19 19.832 -2.276 2.775 1.00 0.31 O ATOM 286 CB THR A 19 19.880 0.725 4.109 1.00 0.39 C ATOM 287 OG1 THR A 19 19.801 2.146 3.944 1.00 0.49 O ATOM 288 CG2 THR A 19 21.338 0.298 4.234 1.00 0.45 C ATOM 0 H THR A 19 17.598 1.309 3.342 1.00 0.33 H new ATOM 0 HA THR A 19 19.834 0.165 2.041 1.00 0.34 H new ATOM 0 HB THR A 19 19.363 0.429 5.022 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.366 2.585 4.614 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.793 0.802 5.086 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.390 -0.781 4.381 1.00 0.45 H new ATOM 0 HG23 THR A 19 21.875 0.567 3.324 1.00 0.45 H new ATOM 296 N VAL A 20 17.968 -1.773 3.929 1.00 0.25 N ATOM 297 CA VAL A 20 17.656 -3.156 4.253 1.00 0.21 C ATOM 298 C VAL A 20 17.444 -3.962 2.977 1.00 0.20 C ATOM 299 O VAL A 20 18.144 -4.942 2.729 1.00 0.24 O ATOM 300 CB VAL A 20 16.411 -3.245 5.151 1.00 0.21 C ATOM 301 CG1 VAL A 20 15.917 -4.679 5.273 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.712 -2.671 6.521 1.00 0.24 C ATOM 0 H VAL A 20 17.306 -1.093 4.303 1.00 0.25 H new ATOM 0 HA VAL A 20 18.500 -3.575 4.800 1.00 0.21 H new ATOM 0 HB VAL A 20 15.618 -2.658 4.687 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.036 -4.707 5.914 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.659 -5.060 4.285 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.702 -5.298 5.707 1.00 0.23 H new ATOM 0 HG21 VAL A 20 15.823 -2.740 7.148 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.524 -3.234 6.981 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.006 -1.626 6.421 1.00 0.24 H new ATOM 312 N SER A 21 16.502 -3.524 2.148 1.00 0.22 N ATOM 313 CA SER A 21 16.219 -4.205 0.890 1.00 0.25 C ATOM 314 C SER A 21 17.432 -4.145 -0.031 1.00 0.27 C ATOM 315 O SER A 21 17.611 -5.006 -0.895 1.00 0.32 O ATOM 316 CB SER A 21 15.004 -3.582 0.202 1.00 0.32 C ATOM 317 OG SER A 21 13.826 -3.826 0.945 1.00 0.87 O ATOM 0 H SER A 21 15.923 -2.703 2.324 1.00 0.22 H new ATOM 0 HA SER A 21 15.996 -5.249 1.109 1.00 0.25 H new ATOM 0 HB2 SER A 21 15.154 -2.508 0.092 1.00 0.32 H new ATOM 0 HB3 SER A 21 14.898 -3.994 -0.802 1.00 0.32 H new ATOM 0 HG SER A 21 13.061 -3.418 0.489 1.00 0.87 H new ATOM 323 N ARG A 22 18.264 -3.129 0.175 1.00 0.30 N ATOM 324 CA ARG A 22 19.477 -2.946 -0.608 1.00 0.40 C ATOM 325 C ARG A 22 20.407 -4.137 -0.407 1.00 0.39 C ATOM 326 O ARG A 22 21.140 -4.530 -1.311 1.00 0.58 O ATOM 327 CB ARG A 22 20.181 -1.649 -0.198 1.00 0.51 C ATOM 328 CG ARG A 22 21.008 -1.026 -1.304 1.00 0.82 C ATOM 329 CD ARG A 22 20.154 -0.672 -2.508 1.00 0.75 C ATOM 330 NE ARG A 22 19.747 0.735 -2.510 1.00 0.73 N ATOM 331 CZ ARG A 22 19.330 1.379 -3.602 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.268 0.743 -4.760 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.985 2.660 -3.542 1.00 1.28 N ATOM 0 H ARG A 22 18.116 -2.413 0.887 1.00 0.30 H new ATOM 0 HA ARG A 22 19.211 -2.878 -1.663 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.432 -0.929 0.133 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.827 -1.852 0.656 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.500 -0.128 -0.930 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.794 -1.718 -1.606 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.710 -0.888 -3.420 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.266 -1.304 -2.519 1.00 0.75 H new ATOM 0 HE ARG A 22 19.784 1.250 -1.630 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.539 -0.239 -4.818 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.949 1.234 -5.595 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.037 3.161 -2.655 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.668 3.143 -4.383 1.00 1.28 H new ATOM 347 N VAL A 23 20.355 -4.710 0.784 1.00 0.29 N ATOM 348 CA VAL A 23 21.168 -5.866 1.108 1.00 0.33 C ATOM 349 C VAL A 23 20.432 -7.147 0.735 1.00 0.34 C ATOM 350 O VAL A 23 20.990 -8.038 0.094 1.00 0.43 O ATOM 351 CB VAL A 23 21.504 -5.921 2.615 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.454 -7.071 2.923 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.085 -4.602 3.090 1.00 0.33 C ATOM 0 H VAL A 23 19.755 -4.390 1.544 1.00 0.29 H new ATOM 0 HA VAL A 23 22.094 -5.777 0.540 1.00 0.33 H new ATOM 0 HB VAL A 23 20.575 -6.097 3.157 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.673 -7.086 3.991 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.989 -8.014 2.635 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.380 -6.937 2.364 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.313 -4.667 4.154 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.998 -4.386 2.536 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.362 -3.804 2.922 1.00 0.33 H new ATOM 363 N VAL A 24 19.160 -7.206 1.124 1.00 0.29 N ATOM 364 CA VAL A 24 18.321 -8.379 0.894 1.00 0.32 C ATOM 365 C VAL A 24 18.098 -8.720 -0.586 1.00 0.34 C ATOM 366 O VAL A 24 18.403 -9.832 -1.015 1.00 0.41 O ATOM 367 CB VAL A 24 16.940 -8.223 1.582 1.00 0.32 C ATOM 368 CG1 VAL A 24 16.147 -9.519 1.506 1.00 0.39 C ATOM 369 CG2 VAL A 24 17.103 -7.794 3.030 1.00 0.35 C ATOM 0 H VAL A 24 18.683 -6.444 1.606 1.00 0.29 H new ATOM 0 HA VAL A 24 18.880 -9.205 1.334 1.00 0.32 H new ATOM 0 HB VAL A 24 16.389 -7.448 1.050 1.00 0.32 H new ATOM 0 HG11 VAL A 24 15.182 -9.385 1.995 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.990 -9.789 0.462 1.00 0.39 H new ATOM 0 HG13 VAL A 24 16.700 -10.314 2.007 1.00 0.39 H new ATOM 0 HG21 VAL A 24 16.121 -7.691 3.492 1.00 0.35 H new ATOM 0 HG22 VAL A 24 17.681 -8.545 3.569 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.625 -6.838 3.070 1.00 0.35 H new ATOM 379 N ASN A 25 17.596 -7.782 -1.380 1.00 0.33 N ATOM 380 CA ASN A 25 17.283 -8.100 -2.779 1.00 0.42 C ATOM 381 C ASN A 25 18.001 -7.236 -3.804 1.00 0.76 C ATOM 382 O ASN A 25 17.751 -7.377 -5.002 1.00 0.94 O ATOM 383 CB ASN A 25 15.774 -8.005 -3.015 1.00 0.83 C ATOM 384 CG ASN A 25 15.002 -9.095 -2.300 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.924 -10.228 -2.775 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.407 -8.758 -1.163 1.00 1.15 N ATOM 0 H ASN A 25 17.400 -6.822 -1.097 1.00 0.33 H new ATOM 0 HA ASN A 25 17.644 -9.117 -2.929 1.00 0.42 H new ATOM 0 HB2 ASN A 25 15.418 -7.032 -2.677 1.00 0.83 H new ATOM 0 HB3 ASN A 25 15.573 -8.065 -4.085 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.860 -9.449 -0.649 1.00 1.15 H new ATOM 0 HD22 ASN A 25 14.496 -7.808 -0.803 1.00 1.15 H new ATOM 393 N GLN A 26 18.876 -6.344 -3.380 1.00 1.08 N ATOM 394 CA GLN A 26 19.576 -5.510 -4.348 1.00 1.58 C ATOM 395 C GLN A 26 21.030 -5.948 -4.511 1.00 1.10 C ATOM 396 O GLN A 26 21.528 -6.052 -5.633 1.00 1.64 O ATOM 397 CB GLN A 26 19.505 -4.033 -3.968 1.00 2.64 C ATOM 398 CG GLN A 26 18.096 -3.540 -3.673 1.00 3.42 C ATOM 399 CD GLN A 26 17.089 -3.842 -4.772 1.00 4.28 C ATOM 400 OE1 GLN A 26 17.517 -3.779 -6.025 1.00 4.88 O flip ATOM 401 NE2 GLN A 26 15.926 -4.122 -4.489 1.00 4.73 N flip ATOM 0 H GLN A 26 19.117 -6.178 -2.403 1.00 1.08 H new ATOM 0 HA GLN A 26 19.071 -5.638 -5.306 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.130 -3.863 -3.091 1.00 2.64 H new ATOM 0 HB3 GLN A 26 19.925 -3.438 -4.779 1.00 2.64 H new ATOM 0 HG2 GLN A 26 17.751 -3.994 -2.744 1.00 3.42 H new ATOM 0 HG3 GLN A 26 18.126 -2.463 -3.509 1.00 3.42 H new ATOM 0 HE21 GLN A 26 15.634 -4.161 -3.512 1.00 4.73 H new ATOM 0 HE22 GLN A 26 15.253 -4.316 -5.231 1.00 4.73 H new ATOM 410 N ALA A 27 21.704 -6.193 -3.383 1.00 0.83 N ATOM 411 CA ALA A 27 23.107 -6.627 -3.371 1.00 1.50 C ATOM 412 C ALA A 27 24.010 -5.624 -4.090 1.00 1.34 C ATOM 413 O ALA A 27 25.066 -5.975 -4.620 1.00 2.01 O ATOM 414 CB ALA A 27 23.243 -8.011 -3.981 1.00 2.27 C ATOM 0 H ALA A 27 21.295 -6.097 -2.454 1.00 0.83 H new ATOM 0 HA ALA A 27 23.432 -6.674 -2.332 1.00 1.50 H new ATOM 0 HB1 ALA A 27 24.290 -8.315 -3.963 1.00 2.27 H new ATOM 0 HB2 ALA A 27 22.649 -8.722 -3.407 1.00 2.27 H new ATOM 0 HB3 ALA A 27 22.889 -7.991 -5.012 1.00 2.27 H new ATOM 420 N SER A 28 23.581 -4.374 -4.093 1.00 1.04 N ATOM 421 CA SER A 28 24.318 -3.300 -4.730 1.00 0.84 C ATOM 422 C SER A 28 24.108 -2.018 -3.936 1.00 0.71 C ATOM 423 O SER A 28 23.097 -1.885 -3.253 1.00 0.73 O ATOM 424 CB SER A 28 23.846 -3.142 -6.176 1.00 0.91 C ATOM 425 OG SER A 28 22.465 -3.439 -6.292 1.00 1.52 O ATOM 0 H SER A 28 22.710 -4.076 -3.653 1.00 1.04 H new ATOM 0 HA SER A 28 25.384 -3.528 -4.747 1.00 0.84 H new ATOM 0 HB2 SER A 28 24.033 -2.123 -6.514 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.420 -3.804 -6.825 1.00 0.91 H new ATOM 0 HG SER A 28 22.326 -4.402 -6.172 1.00 1.52 H new ATOM 431 N HIS A 29 25.041 -1.073 -4.044 1.00 0.61 N ATOM 432 CA HIS A 29 24.974 0.182 -3.306 1.00 0.53 C ATOM 433 C HIS A 29 25.056 -0.053 -1.794 1.00 0.59 C ATOM 434 O HIS A 29 24.545 0.748 -1.011 1.00 0.76 O ATOM 435 CB HIS A 29 23.697 0.972 -3.587 1.00 0.50 C ATOM 436 CG HIS A 29 23.256 1.088 -5.016 1.00 0.50 C ATOM 437 ND1 HIS A 29 22.147 1.822 -5.360 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.774 0.625 -6.182 1.00 0.64 C ATOM 439 CE1 HIS A 29 22.000 1.813 -6.661 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.970 1.093 -7.195 1.00 0.63 N ATOM 0 H HIS A 29 25.861 -1.158 -4.644 1.00 0.61 H new ATOM 0 HA HIS A 29 25.831 0.761 -3.651 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.886 0.514 -3.021 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.831 1.980 -3.193 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.652 0.006 -6.293 1.00 0.64 H new ATOM 0 HE1 HIS A 29 21.214 2.313 -7.208 1.00 0.53 H new ATOM 0 HE2 HIS A 29 23.101 0.914 -8.191 1.00 0.63 H new ATOM 449 N VAL A 30 25.689 -1.146 -1.381 1.00 0.66 N ATOM 450 CA VAL A 30 25.816 -1.447 0.035 1.00 0.76 C ATOM 451 C VAL A 30 27.270 -1.599 0.442 1.00 0.72 C ATOM 452 O VAL A 30 28.056 -2.275 -0.226 1.00 0.78 O ATOM 453 CB VAL A 30 25.080 -2.738 0.447 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.550 -2.603 1.865 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.957 -3.081 -0.516 1.00 1.16 C ATOM 0 H VAL A 30 26.118 -1.831 -2.003 1.00 0.66 H new ATOM 0 HA VAL A 30 25.359 -0.599 0.545 1.00 0.76 H new ATOM 0 HB VAL A 30 25.796 -3.559 0.410 1.00 0.94 H new ATOM 0 HG11 VAL A 30 24.031 -3.519 2.148 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.381 -2.430 2.549 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.857 -1.763 1.916 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.465 -3.997 -0.189 1.00 1.16 H new ATOM 0 HG22 VAL A 30 23.233 -2.267 -0.535 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.367 -3.226 -1.516 1.00 1.16 H new ATOM 465 N SER A 31 27.621 -0.951 1.534 1.00 0.71 N ATOM 466 CA SER A 31 28.965 -1.036 2.074 1.00 0.76 C ATOM 467 C SER A 31 29.025 -2.185 3.076 1.00 0.83 C ATOM 468 O SER A 31 27.988 -2.658 3.535 1.00 1.30 O ATOM 469 CB SER A 31 29.362 0.286 2.736 1.00 0.75 C ATOM 470 OG SER A 31 28.364 0.733 3.644 1.00 0.74 O ATOM 0 H SER A 31 26.990 -0.355 2.069 1.00 0.71 H new ATOM 0 HA SER A 31 29.672 -1.226 1.266 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.307 0.160 3.265 1.00 0.75 H new ATOM 0 HB3 SER A 31 29.524 1.044 1.970 1.00 0.75 H new ATOM 0 HG SER A 31 27.695 0.028 3.768 1.00 0.74 H new ATOM 476 N ALA A 32 30.227 -2.635 3.414 1.00 0.86 N ATOM 477 CA ALA A 32 30.392 -3.736 4.361 1.00 0.86 C ATOM 478 C ALA A 32 29.794 -3.384 5.723 1.00 0.75 C ATOM 479 O ALA A 32 29.194 -4.232 6.387 1.00 0.69 O ATOM 480 CB ALA A 32 31.865 -4.094 4.503 1.00 1.06 C ATOM 0 H ALA A 32 31.101 -2.257 3.049 1.00 0.86 H new ATOM 0 HA ALA A 32 29.856 -4.602 3.972 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.973 -4.915 5.211 1.00 1.06 H new ATOM 0 HB2 ALA A 32 32.261 -4.396 3.534 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.417 -3.227 4.866 1.00 1.06 H new ATOM 486 N LYS A 33 29.954 -2.130 6.127 1.00 0.80 N ATOM 487 CA LYS A 33 29.436 -1.658 7.406 1.00 0.78 C ATOM 488 C LYS A 33 27.923 -1.837 7.505 1.00 0.67 C ATOM 489 O LYS A 33 27.418 -2.320 8.516 1.00 0.69 O ATOM 490 CB LYS A 33 29.811 -0.189 7.607 1.00 0.94 C ATOM 491 CG LYS A 33 29.260 0.428 8.880 1.00 1.53 C ATOM 492 CD LYS A 33 30.005 1.700 9.244 1.00 1.99 C ATOM 493 CE LYS A 33 29.274 2.497 10.312 1.00 2.99 C ATOM 494 NZ LYS A 33 28.011 3.085 9.789 1.00 3.39 N ATOM 0 H LYS A 33 30.441 -1.417 5.584 1.00 0.80 H new ATOM 0 HA LYS A 33 29.888 -2.260 8.194 1.00 0.78 H new ATOM 0 HB2 LYS A 33 30.897 -0.101 7.615 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.451 0.386 6.753 1.00 0.94 H new ATOM 0 HG2 LYS A 33 28.201 0.649 8.751 1.00 1.53 H new ATOM 0 HG3 LYS A 33 29.339 -0.289 9.698 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.004 1.447 9.599 1.00 1.99 H new ATOM 0 HD3 LYS A 33 30.130 2.315 8.353 1.00 1.99 H new ATOM 0 HE2 LYS A 33 29.051 1.850 11.160 1.00 2.99 H new ATOM 0 HE3 LYS A 33 29.922 3.293 10.680 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 27.689 3.840 10.428 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 28.178 3.480 8.842 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 27.282 2.346 9.732 1.00 3.39 H new ATOM 508 N THR A 34 27.206 -1.471 6.450 1.00 0.61 N ATOM 509 CA THR A 34 25.756 -1.588 6.448 1.00 0.54 C ATOM 510 C THR A 34 25.288 -3.004 6.117 1.00 0.51 C ATOM 511 O THR A 34 24.353 -3.510 6.733 1.00 0.49 O ATOM 512 CB THR A 34 25.119 -0.605 5.447 1.00 0.53 C ATOM 513 OG1 THR A 34 25.986 -0.408 4.319 1.00 0.65 O ATOM 514 CG2 THR A 34 24.829 0.731 6.107 1.00 0.56 C ATOM 0 H THR A 34 27.603 -1.093 5.590 1.00 0.61 H new ATOM 0 HA THR A 34 25.432 -1.344 7.460 1.00 0.54 H new ATOM 0 HB THR A 34 24.178 -1.037 5.106 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.568 0.217 3.691 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.380 1.407 5.379 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.140 0.584 6.939 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.759 1.163 6.478 1.00 0.56 H new ATOM 522 N ARG A 35 25.952 -3.647 5.161 1.00 0.51 N ATOM 523 CA ARG A 35 25.576 -4.995 4.733 1.00 0.51 C ATOM 524 C ARG A 35 25.604 -5.988 5.888 1.00 0.52 C ATOM 525 O ARG A 35 24.631 -6.700 6.131 1.00 0.52 O ATOM 526 CB ARG A 35 26.504 -5.464 3.611 1.00 0.53 C ATOM 527 CG ARG A 35 26.115 -6.808 3.023 1.00 0.70 C ATOM 528 CD ARG A 35 26.914 -7.117 1.768 1.00 0.79 C ATOM 529 NE ARG A 35 28.350 -7.224 2.032 1.00 1.64 N ATOM 530 CZ ARG A 35 29.291 -6.635 1.294 1.00 2.19 C ATOM 531 NH1 ARG A 35 28.954 -5.882 0.252 1.00 2.09 N ATOM 532 NH2 ARG A 35 30.568 -6.799 1.601 1.00 3.31 N ATOM 0 H ARG A 35 26.754 -3.258 4.666 1.00 0.51 H new ATOM 0 HA ARG A 35 24.551 -4.952 4.364 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.507 -4.717 2.817 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.522 -5.526 3.995 1.00 0.53 H new ATOM 0 HG2 ARG A 35 26.279 -7.592 3.763 1.00 0.70 H new ATOM 0 HG3 ARG A 35 25.051 -6.810 2.788 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.557 -8.051 1.334 1.00 0.79 H new ATOM 0 HD3 ARG A 35 26.741 -6.335 1.029 1.00 0.79 H new ATOM 0 HE ARG A 35 28.649 -7.784 2.830 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.971 -5.752 0.013 1.00 2.09 H new ATOM 0 HH12 ARG A 35 29.679 -5.434 -0.309 1.00 2.09 H new ATOM 0 HH21 ARG A 35 30.830 -7.375 2.401 1.00 3.31 H new ATOM 0 HH22 ARG A 35 31.290 -6.349 1.038 1.00 3.31 H new ATOM 546 N GLU A 36 26.703 -6.000 6.618 1.00 0.56 N ATOM 547 CA GLU A 36 26.868 -6.920 7.736 1.00 0.58 C ATOM 548 C GLU A 36 26.064 -6.486 8.955 1.00 0.54 C ATOM 549 O GLU A 36 25.903 -7.253 9.908 1.00 0.61 O ATOM 550 CB GLU A 36 28.342 -7.052 8.095 1.00 0.67 C ATOM 551 CG GLU A 36 29.217 -7.351 6.890 1.00 0.70 C ATOM 552 CD GLU A 36 30.683 -7.526 7.242 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.133 -6.951 8.260 1.00 1.39 O ATOM 554 OE2 GLU A 36 31.394 -8.238 6.499 1.00 1.45 O ATOM 0 H GLU A 36 27.499 -5.383 6.459 1.00 0.56 H new ATOM 0 HA GLU A 36 26.485 -7.891 7.421 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.681 -6.128 8.564 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.462 -7.846 8.832 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.856 -8.257 6.404 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.118 -6.541 6.168 1.00 0.70 H new ATOM 561 N LYS A 37 25.547 -5.268 8.917 1.00 0.49 N ATOM 562 CA LYS A 37 24.764 -4.746 10.022 1.00 0.47 C ATOM 563 C LYS A 37 23.288 -5.068 9.822 1.00 0.39 C ATOM 564 O LYS A 37 22.566 -5.347 10.778 1.00 0.38 O ATOM 565 CB LYS A 37 24.960 -3.239 10.148 1.00 0.52 C ATOM 566 CG LYS A 37 24.602 -2.682 11.515 1.00 0.86 C ATOM 567 CD LYS A 37 24.850 -1.185 11.578 1.00 0.84 C ATOM 568 CE LYS A 37 26.332 -0.851 11.496 1.00 0.73 C ATOM 569 NZ LYS A 37 27.035 -1.137 12.771 1.00 0.98 N ATOM 0 H LYS A 37 25.656 -4.624 8.133 1.00 0.49 H new ATOM 0 HA LYS A 37 25.105 -5.220 10.942 1.00 0.47 H new ATOM 0 HB2 LYS A 37 26.001 -2.999 9.930 1.00 0.52 H new ATOM 0 HB3 LYS A 37 24.353 -2.740 9.393 1.00 0.52 H new ATOM 0 HG2 LYS A 37 23.554 -2.890 11.733 1.00 0.86 H new ATOM 0 HG3 LYS A 37 25.192 -3.184 12.282 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.322 -0.695 10.760 1.00 0.84 H new ATOM 0 HD3 LYS A 37 24.439 -0.788 12.506 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.790 -1.427 10.692 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.453 0.202 11.243 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 28.035 -0.864 12.685 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 26.593 -0.594 13.540 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 26.970 -2.153 12.983 1.00 0.98 H new ATOM 583 N VAL A 38 22.855 -5.043 8.570 1.00 0.36 N ATOM 584 CA VAL A 38 21.469 -5.332 8.236 1.00 0.31 C ATOM 585 C VAL A 38 21.211 -6.831 8.329 1.00 0.32 C ATOM 586 O VAL A 38 20.197 -7.268 8.880 1.00 0.31 O ATOM 587 CB VAL A 38 21.105 -4.831 6.822 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.679 -5.216 6.467 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.299 -3.326 6.720 1.00 0.30 C ATOM 0 H VAL A 38 23.445 -4.825 7.767 1.00 0.36 H new ATOM 0 HA VAL A 38 20.841 -4.804 8.953 1.00 0.31 H new ATOM 0 HB VAL A 38 21.774 -5.310 6.107 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.443 -4.853 5.467 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.578 -6.301 6.493 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.992 -4.770 7.186 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.037 -2.993 5.716 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.658 -2.826 7.447 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.341 -3.079 6.924 1.00 0.30 H new ATOM 599 N GLU A 39 22.145 -7.615 7.797 1.00 0.36 N ATOM 600 CA GLU A 39 22.039 -9.071 7.832 1.00 0.39 C ATOM 601 C GLU A 39 22.023 -9.554 9.277 1.00 0.41 C ATOM 602 O GLU A 39 21.380 -10.551 9.608 1.00 0.43 O ATOM 603 CB GLU A 39 23.207 -9.714 7.078 1.00 0.44 C ATOM 604 CG GLU A 39 23.106 -9.579 5.566 1.00 0.55 C ATOM 605 CD GLU A 39 22.214 -10.637 4.941 1.00 0.82 C ATOM 606 OE1 GLU A 39 21.649 -11.468 5.687 1.00 1.44 O ATOM 607 OE2 GLU A 39 22.079 -10.649 3.697 1.00 1.59 O ATOM 0 H GLU A 39 22.985 -7.266 7.336 1.00 0.36 H new ATOM 0 HA GLU A 39 21.109 -9.364 7.345 1.00 0.39 H new ATOM 0 HB2 GLU A 39 24.139 -9.259 7.413 1.00 0.44 H new ATOM 0 HB3 GLU A 39 23.257 -10.772 7.337 1.00 0.44 H new ATOM 0 HG2 GLU A 39 22.718 -8.591 5.319 1.00 0.55 H new ATOM 0 HG3 GLU A 39 24.103 -9.648 5.132 1.00 0.55 H new ATOM 614 N ALA A 40 22.717 -8.817 10.139 1.00 0.43 N ATOM 615 CA ALA A 40 22.795 -9.156 11.550 1.00 0.46 C ATOM 616 C ALA A 40 21.550 -8.689 12.296 1.00 0.41 C ATOM 617 O ALA A 40 21.068 -9.366 13.203 1.00 0.43 O ATOM 618 CB ALA A 40 24.036 -8.539 12.168 1.00 0.52 C ATOM 0 H ALA A 40 23.235 -7.977 9.880 1.00 0.43 H new ATOM 0 HA ALA A 40 22.855 -10.241 11.635 1.00 0.46 H new ATOM 0 HB1 ALA A 40 24.084 -8.800 13.225 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.923 -8.919 11.660 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.994 -7.455 12.063 1.00 0.52 H new ATOM 624 N ALA A 41 21.025 -7.535 11.902 1.00 0.37 N ATOM 625 CA ALA A 41 19.837 -6.977 12.536 1.00 0.34 C ATOM 626 C ALA A 41 18.621 -7.842 12.278 1.00 0.31 C ATOM 627 O ALA A 41 17.859 -8.138 13.194 1.00 0.34 O ATOM 628 CB ALA A 41 19.588 -5.564 12.037 1.00 0.31 C ATOM 0 H ALA A 41 21.404 -6.966 11.145 1.00 0.37 H new ATOM 0 HA ALA A 41 20.012 -6.950 13.612 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.698 -5.160 12.519 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.447 -4.937 12.276 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.441 -5.580 10.957 1.00 0.31 H new ATOM 634 N MET A 42 18.471 -8.276 11.034 1.00 0.28 N ATOM 635 CA MET A 42 17.342 -9.109 10.639 1.00 0.29 C ATOM 636 C MET A 42 17.440 -10.502 11.258 1.00 0.35 C ATOM 637 O MET A 42 16.491 -11.285 11.194 1.00 0.39 O ATOM 638 CB MET A 42 17.263 -9.212 9.110 1.00 0.27 C ATOM 639 CG MET A 42 18.365 -10.054 8.487 1.00 0.33 C ATOM 640 SD MET A 42 18.161 -10.279 6.710 1.00 0.35 S ATOM 641 CE MET A 42 18.669 -8.673 6.110 1.00 0.33 C ATOM 0 H MET A 42 19.121 -8.064 10.277 1.00 0.28 H new ATOM 0 HA MET A 42 16.432 -8.638 11.009 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.297 -9.635 8.834 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.304 -8.209 8.686 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.328 -9.582 8.680 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.386 -11.030 8.971 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.335 -8.798 5.256 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.791 -8.104 5.805 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.191 -8.137 6.903 1.00 0.33 H new ATOM 651 N ALA A 43 18.577 -10.789 11.884 1.00 0.40 N ATOM 652 CA ALA A 43 18.804 -12.083 12.509 1.00 0.47 C ATOM 653 C ALA A 43 18.395 -12.042 13.974 1.00 0.48 C ATOM 654 O ALA A 43 18.087 -13.069 14.580 1.00 0.53 O ATOM 655 CB ALA A 43 20.268 -12.480 12.382 1.00 0.52 C ATOM 0 H ALA A 43 19.357 -10.138 11.971 1.00 0.40 H new ATOM 0 HA ALA A 43 18.194 -12.828 11.998 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.424 -13.450 12.854 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.538 -12.541 11.328 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.891 -11.733 12.873 1.00 0.52 H new ATOM 661 N GLU A 44 18.383 -10.838 14.529 1.00 0.46 N ATOM 662 CA GLU A 44 18.028 -10.640 15.927 1.00 0.46 C ATOM 663 C GLU A 44 16.523 -10.699 16.126 1.00 0.45 C ATOM 664 O GLU A 44 16.017 -11.509 16.904 1.00 0.48 O ATOM 665 CB GLU A 44 18.552 -9.289 16.410 1.00 0.45 C ATOM 666 CG GLU A 44 20.045 -9.114 16.225 1.00 0.51 C ATOM 667 CD GLU A 44 20.859 -10.043 17.108 1.00 0.63 C ATOM 668 OE1 GLU A 44 21.050 -11.220 16.728 1.00 1.36 O ATOM 669 OE2 GLU A 44 21.321 -9.600 18.181 1.00 1.21 O ATOM 0 H GLU A 44 18.616 -9.980 14.029 1.00 0.46 H new ATOM 0 HA GLU A 44 18.484 -11.442 16.507 1.00 0.46 H new ATOM 0 HB2 GLU A 44 18.033 -8.495 15.873 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.309 -9.172 17.466 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.301 -9.295 15.181 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.315 -8.081 16.445 1.00 0.51 H new ATOM 676 N LEU A 45 15.812 -9.839 15.413 1.00 0.42 N ATOM 677 CA LEU A 45 14.359 -9.774 15.525 1.00 0.44 C ATOM 678 C LEU A 45 13.660 -10.791 14.620 1.00 0.48 C ATOM 679 O LEU A 45 12.432 -10.856 14.591 1.00 0.52 O ATOM 680 CB LEU A 45 13.843 -8.333 15.280 1.00 0.49 C ATOM 681 CG LEU A 45 13.982 -7.707 13.868 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.459 -6.273 13.984 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.934 -8.457 12.961 1.00 1.88 C ATOM 0 H LEU A 45 16.215 -9.176 14.751 1.00 0.42 H new ATOM 0 HA LEU A 45 14.103 -10.047 16.549 1.00 0.44 H new ATOM 0 HB2 LEU A 45 12.786 -8.314 15.544 1.00 0.49 H new ATOM 0 HB3 LEU A 45 14.358 -7.677 15.981 1.00 0.49 H new ATOM 0 HG LEU A 45 12.991 -7.762 13.418 1.00 0.82 H new ATOM 0 HD11 LEU A 45 14.554 -5.840 12.988 1.00 0.39 H new ATOM 0 HD12 LEU A 45 13.739 -5.696 14.564 1.00 0.39 H new ATOM 0 HD13 LEU A 45 15.428 -6.251 14.484 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.980 -7.961 11.992 1.00 1.88 H new ATOM 0 HD22 LEU A 45 15.928 -8.471 13.409 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.581 -9.480 12.829 1.00 1.88 H new ATOM 695 N ASN A 46 14.457 -11.582 13.895 1.00 0.49 N ATOM 696 CA ASN A 46 13.940 -12.611 12.997 1.00 0.54 C ATOM 697 C ASN A 46 13.041 -11.994 11.934 1.00 0.51 C ATOM 698 O ASN A 46 11.813 -12.062 12.005 1.00 0.60 O ATOM 699 CB ASN A 46 13.192 -13.694 13.779 1.00 0.62 C ATOM 700 CG ASN A 46 12.809 -14.878 12.913 1.00 1.22 C ATOM 701 OD1 ASN A 46 13.613 -15.775 12.668 1.00 2.01 O ATOM 702 ND2 ASN A 46 11.571 -14.890 12.449 1.00 1.90 N ATOM 0 H ASN A 46 15.475 -11.525 13.916 1.00 0.49 H new ATOM 0 HA ASN A 46 14.787 -13.081 12.497 1.00 0.54 H new ATOM 0 HB2 ASN A 46 13.816 -14.038 14.604 1.00 0.62 H new ATOM 0 HB3 ASN A 46 12.292 -13.264 14.219 1.00 0.62 H new ATOM 0 HD21 ASN A 46 11.253 -15.663 11.865 1.00 1.90 H new ATOM 0 HD22 ASN A 46 10.934 -14.126 12.675 1.00 1.90 H new ATOM 709 N TYR A 47 13.676 -11.382 10.955 1.00 0.42 N ATOM 710 CA TYR A 47 12.982 -10.730 9.857 1.00 0.39 C ATOM 711 C TYR A 47 12.587 -11.742 8.782 1.00 0.49 C ATOM 712 O TYR A 47 13.357 -12.644 8.450 1.00 0.58 O ATOM 713 CB TYR A 47 13.886 -9.634 9.285 1.00 0.27 C ATOM 714 CG TYR A 47 13.474 -9.097 7.936 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.190 -8.622 7.704 1.00 1.07 C ATOM 716 CD2 TYR A 47 14.393 -9.047 6.900 1.00 1.16 C ATOM 717 CE1 TYR A 47 11.834 -8.115 6.471 1.00 1.08 C ATOM 718 CE2 TYR A 47 14.048 -8.538 5.666 1.00 1.16 C ATOM 719 CZ TYR A 47 12.769 -8.073 5.455 1.00 0.23 C ATOM 720 OH TYR A 47 12.421 -7.554 4.230 1.00 0.24 O ATOM 0 H TYR A 47 14.692 -11.321 10.896 1.00 0.42 H new ATOM 0 HA TYR A 47 12.059 -10.280 10.223 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.918 -8.806 9.993 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.900 -10.026 9.207 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.460 -8.650 8.499 1.00 1.07 H new ATOM 0 HD2 TYR A 47 15.396 -9.413 7.062 1.00 1.16 H new ATOM 0 HE1 TYR A 47 10.831 -7.753 6.301 1.00 1.08 H new ATOM 0 HE2 TYR A 47 14.777 -8.504 4.869 1.00 1.16 H new ATOM 0 HH TYR A 47 13.192 -7.596 3.626 1.00 0.24 H new ATOM 730 N ILE A 48 11.380 -11.593 8.248 1.00 0.56 N ATOM 731 CA ILE A 48 10.883 -12.488 7.213 1.00 0.66 C ATOM 732 C ILE A 48 10.551 -11.702 5.947 1.00 0.52 C ATOM 733 O ILE A 48 9.628 -10.884 5.939 1.00 0.55 O ATOM 734 CB ILE A 48 9.618 -13.260 7.666 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.853 -13.949 9.016 1.00 1.16 C ATOM 736 CG2 ILE A 48 9.207 -14.278 6.613 1.00 0.98 C ATOM 737 CD1 ILE A 48 9.180 -13.240 10.171 1.00 1.01 C ATOM 0 H ILE A 48 10.726 -10.858 8.517 1.00 0.56 H new ATOM 0 HA ILE A 48 11.675 -13.210 7.014 1.00 0.66 H new ATOM 0 HB ILE A 48 8.808 -12.541 7.787 1.00 0.91 H new ATOM 0 HG12 ILE A 48 9.485 -14.974 8.963 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.925 -14.005 9.207 1.00 1.16 H new ATOM 0 HG21 ILE A 48 8.317 -14.810 6.949 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.991 -13.765 5.676 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.018 -14.989 6.458 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.385 -13.777 11.097 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.566 -12.224 10.248 1.00 1.01 H new ATOM 0 HD13 ILE A 48 8.104 -13.208 10.001 1.00 1.01 H new ATOM 749 N PRO A 49 11.319 -11.915 4.871 1.00 0.44 N ATOM 750 CA PRO A 49 11.091 -11.233 3.596 1.00 0.35 C ATOM 751 C PRO A 49 9.746 -11.614 2.991 1.00 0.39 C ATOM 752 O PRO A 49 9.492 -12.784 2.706 1.00 0.49 O ATOM 753 CB PRO A 49 12.234 -11.724 2.702 1.00 0.40 C ATOM 754 CG PRO A 49 13.247 -12.297 3.636 1.00 0.51 C ATOM 755 CD PRO A 49 12.474 -12.825 4.811 1.00 0.55 C ATOM 0 HA PRO A 49 11.071 -10.149 3.711 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.884 -12.474 1.993 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.656 -10.906 2.118 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.816 -13.092 3.154 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.963 -11.537 3.949 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.167 -13.860 4.662 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.061 -12.796 5.729 1.00 0.55 H new ATOM 763 N ASN A 50 8.889 -10.622 2.800 1.00 0.40 N ATOM 764 CA ASN A 50 7.564 -10.857 2.253 1.00 0.45 C ATOM 765 C ASN A 50 7.623 -11.099 0.756 1.00 0.49 C ATOM 766 O ASN A 50 7.819 -10.170 -0.027 1.00 0.54 O ATOM 767 CB ASN A 50 6.638 -9.679 2.552 1.00 0.45 C ATOM 768 CG ASN A 50 6.118 -9.698 3.974 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.145 -10.381 4.286 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.758 -8.942 4.845 1.00 0.46 N ATOM 0 H ASN A 50 9.089 -9.646 3.017 1.00 0.40 H new ATOM 0 HA ASN A 50 7.165 -11.751 2.732 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.174 -8.746 2.377 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.796 -9.698 1.860 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.449 -8.910 5.817 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.562 -8.389 4.547 1.00 0.46 H new ATOM 777 N ARG A 51 7.441 -12.355 0.366 1.00 0.51 N ATOM 778 CA ARG A 51 7.473 -12.738 -1.039 1.00 0.57 C ATOM 779 C ARG A 51 6.262 -12.183 -1.779 1.00 0.56 C ATOM 780 O ARG A 51 6.337 -11.890 -2.971 1.00 0.59 O ATOM 781 CB ARG A 51 7.528 -14.261 -1.183 1.00 0.63 C ATOM 782 CG ARG A 51 8.796 -14.881 -0.618 1.00 1.42 C ATOM 783 CD ARG A 51 10.037 -14.375 -1.337 1.00 2.25 C ATOM 784 NE ARG A 51 11.244 -15.074 -0.900 1.00 3.08 N ATOM 785 CZ ARG A 51 12.457 -14.861 -1.406 1.00 4.17 C ATOM 786 NH1 ARG A 51 12.641 -13.941 -2.345 1.00 4.66 N ATOM 787 NH2 ARG A 51 13.492 -15.565 -0.967 1.00 5.04 N ATOM 0 H ARG A 51 7.269 -13.129 1.008 1.00 0.51 H new ATOM 0 HA ARG A 51 8.374 -12.314 -1.483 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.665 -14.696 -0.679 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.446 -14.521 -2.238 1.00 0.63 H new ATOM 0 HG2 ARG A 51 8.872 -14.651 0.445 1.00 1.42 H new ATOM 0 HG3 ARG A 51 8.741 -15.966 -0.706 1.00 1.42 H new ATOM 0 HD2 ARG A 51 9.912 -14.505 -2.412 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.151 -13.306 -1.156 1.00 2.25 H new ATOM 0 HE ARG A 51 11.151 -15.770 -0.160 1.00 3.08 H new ATOM 0 HH11 ARG A 51 11.851 -13.392 -2.683 1.00 4.66 H new ATOM 0 HH12 ARG A 51 13.573 -13.783 -2.728 1.00 4.66 H new ATOM 0 HH21 ARG A 51 13.359 -16.270 -0.242 1.00 5.04 H new ATOM 0 HH22 ARG A 51 14.421 -15.402 -1.355 1.00 5.04 H new ATOM 801 N CYS A 52 5.156 -12.009 -1.059 1.00 0.55 N ATOM 802 CA CYS A 52 3.938 -11.485 -1.652 1.00 0.55 C ATOM 803 C CYS A 52 4.106 -10.004 -1.951 1.00 0.52 C ATOM 804 O CYS A 52 3.702 -9.524 -3.012 1.00 0.57 O ATOM 805 CB CYS A 52 2.744 -11.718 -0.728 1.00 0.56 C ATOM 806 SG CYS A 52 1.521 -12.884 -1.407 1.00 0.83 S ATOM 0 H CYS A 52 5.083 -12.225 -0.065 1.00 0.55 H new ATOM 0 HA CYS A 52 3.746 -12.013 -2.586 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.103 -12.096 0.229 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.255 -10.764 -0.531 1.00 0.56 H new ATOM 811 N ALA A 53 4.710 -9.286 -1.012 1.00 0.45 N ATOM 812 CA ALA A 53 4.972 -7.867 -1.193 1.00 0.43 C ATOM 813 C ALA A 53 5.991 -7.680 -2.303 1.00 0.43 C ATOM 814 O ALA A 53 5.956 -6.703 -3.039 1.00 0.44 O ATOM 815 CB ALA A 53 5.465 -7.251 0.089 1.00 0.41 C ATOM 0 H ALA A 53 5.027 -9.664 -0.119 1.00 0.45 H new ATOM 0 HA ALA A 53 4.045 -7.365 -1.470 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.655 -6.189 -0.067 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.710 -7.374 0.866 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.387 -7.743 0.398 1.00 0.41 H new ATOM 821 N GLN A 54 6.880 -8.660 -2.418 1.00 0.45 N ATOM 822 CA GLN A 54 7.923 -8.664 -3.432 1.00 0.48 C ATOM 823 C GLN A 54 7.310 -8.799 -4.822 1.00 0.51 C ATOM 824 O GLN A 54 7.726 -8.127 -5.768 1.00 0.55 O ATOM 825 CB GLN A 54 8.867 -9.833 -3.155 1.00 0.50 C ATOM 826 CG GLN A 54 10.242 -9.686 -3.768 1.00 0.74 C ATOM 827 CD GLN A 54 11.229 -10.675 -3.190 1.00 0.82 C ATOM 828 OE1 GLN A 54 11.419 -11.768 -3.724 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.855 -10.299 -2.085 1.00 1.07 N ATOM 0 H GLN A 54 6.896 -9.477 -1.807 1.00 0.45 H new ATOM 0 HA GLN A 54 8.476 -7.725 -3.396 1.00 0.48 H new ATOM 0 HB2 GLN A 54 8.974 -9.950 -2.077 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.411 -10.749 -3.531 1.00 0.50 H new ATOM 0 HG2 GLN A 54 10.175 -9.829 -4.847 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.606 -8.672 -3.603 1.00 0.74 H new ATOM 0 HE21 GLN A 54 11.665 -9.383 -1.678 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.527 -10.925 -1.641 1.00 1.07 H new ATOM 838 N GLN A 55 6.313 -9.673 -4.932 1.00 0.52 N ATOM 839 CA GLN A 55 5.624 -9.898 -6.198 1.00 0.57 C ATOM 840 C GLN A 55 4.796 -8.672 -6.576 1.00 0.58 C ATOM 841 O GLN A 55 4.617 -8.365 -7.753 1.00 0.74 O ATOM 842 CB GLN A 55 4.731 -11.137 -6.098 1.00 0.62 C ATOM 843 CG GLN A 55 5.510 -12.442 -6.049 1.00 0.65 C ATOM 844 CD GLN A 55 4.648 -13.628 -5.665 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.518 -13.963 -4.489 1.00 1.83 O ATOM 846 NE2 GLN A 55 4.053 -14.273 -6.656 1.00 2.01 N ATOM 0 H GLN A 55 5.964 -10.238 -4.158 1.00 0.52 H new ATOM 0 HA GLN A 55 6.367 -10.066 -6.978 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.112 -11.058 -5.204 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.055 -11.158 -6.953 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.961 -12.627 -7.024 1.00 0.65 H new ATOM 0 HG3 GLN A 55 6.326 -12.346 -5.333 1.00 0.65 H new ATOM 0 HE21 GLN A 55 4.186 -13.963 -7.619 1.00 2.01 H new ATOM 0 HE22 GLN A 55 3.461 -15.080 -6.457 1.00 2.01 H new ATOM 855 N LEU A 56 4.284 -7.979 -5.566 1.00 0.51 N ATOM 856 CA LEU A 56 3.494 -6.782 -5.791 1.00 0.50 C ATOM 857 C LEU A 56 4.388 -5.594 -6.120 1.00 0.47 C ATOM 858 O LEU A 56 4.116 -4.844 -7.056 1.00 0.48 O ATOM 859 CB LEU A 56 2.659 -6.458 -4.558 1.00 0.49 C ATOM 860 CG LEU A 56 1.528 -5.467 -4.803 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.388 -6.159 -5.524 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.047 -4.874 -3.495 1.00 0.48 C ATOM 0 H LEU A 56 4.404 -8.228 -4.584 1.00 0.51 H new ATOM 0 HA LEU A 56 2.834 -6.972 -6.637 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.236 -7.384 -4.168 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.315 -6.057 -3.785 1.00 0.49 H new ATOM 0 HG LEU A 56 1.900 -4.654 -5.427 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.419 -5.447 -5.697 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.743 -6.545 -6.480 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.019 -6.984 -4.914 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.239 -4.169 -3.690 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.684 -5.671 -2.846 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.871 -4.355 -3.006 1.00 0.48 H new ATOM 874 N ALA A 57 5.457 -5.439 -5.345 1.00 0.45 N ATOM 875 CA ALA A 57 6.400 -4.343 -5.533 1.00 0.44 C ATOM 876 C ALA A 57 7.064 -4.427 -6.907 1.00 0.46 C ATOM 877 O ALA A 57 7.517 -3.419 -7.451 1.00 0.49 O ATOM 878 CB ALA A 57 7.445 -4.355 -4.418 1.00 0.44 C ATOM 0 H ALA A 57 5.693 -6.065 -4.575 1.00 0.45 H new ATOM 0 HA ALA A 57 5.854 -3.401 -5.486 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.145 -3.533 -4.567 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.950 -4.240 -3.454 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.987 -5.301 -4.437 1.00 0.44 H new ATOM 884 N GLY A 58 7.104 -5.636 -7.467 1.00 0.53 N ATOM 885 CA GLY A 58 7.694 -5.830 -8.777 1.00 0.61 C ATOM 886 C GLY A 58 9.204 -5.907 -8.720 1.00 0.94 C ATOM 887 O GLY A 58 9.898 -5.132 -9.385 1.00 1.14 O ATOM 0 H GLY A 58 6.737 -6.483 -7.034 1.00 0.53 H new ATOM 0 HA2 GLY A 58 7.302 -6.747 -9.218 1.00 0.61 H new ATOM 0 HA3 GLY A 58 7.398 -5.010 -9.431 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.816 -13.446 -7.874 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.832 -12.406 -7.979 1.00 0.66 C ATOM 1019 C VAL B 4 -9.588 -11.314 -6.957 1.00 0.59 C ATOM 1020 O VAL B 4 -9.189 -11.583 -5.828 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.250 -12.972 -7.779 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.314 -11.939 -8.133 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.427 -14.225 -8.605 1.00 0.73 C ATOM 0 HA VAL B 4 -9.760 -11.992 -8.985 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.373 -13.222 -6.725 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.304 -12.369 -7.981 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.197 -11.063 -7.495 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.203 -11.645 -9.177 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.433 -14.619 -8.458 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.280 -13.990 -9.659 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.696 -14.972 -8.295 1.00 0.73 H new ATOM 1033 N THR B 5 -9.837 -10.081 -7.353 1.00 0.50 N ATOM 1034 CA THR B 5 -9.634 -8.954 -6.477 1.00 0.45 C ATOM 1035 C THR B 5 -10.964 -8.408 -5.988 1.00 0.40 C ATOM 1036 O THR B 5 -12.024 -8.822 -6.455 1.00 0.39 O ATOM 1037 CB THR B 5 -8.866 -7.845 -7.209 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.739 -7.186 -8.133 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.686 -8.432 -7.967 1.00 0.48 C ATOM 0 H THR B 5 -10.182 -9.838 -8.282 1.00 0.50 H new ATOM 0 HA THR B 5 -9.053 -9.292 -5.619 1.00 0.45 H new ATOM 0 HB THR B 5 -8.498 -7.130 -6.473 1.00 0.42 H new ATOM 0 HG1 THR B 5 -10.043 -7.827 -8.809 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.151 -7.634 -8.481 1.00 0.48 H new ATOM 0 HG22 THR B 5 -7.014 -8.927 -7.267 1.00 0.48 H new ATOM 0 HG23 THR B 5 -8.047 -9.156 -8.697 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.911 -7.461 -5.058 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.123 -6.857 -4.534 1.00 0.36 C ATOM 1049 C LEU B 6 -12.607 -5.832 -5.547 1.00 0.32 C ATOM 1050 O LEU B 6 -13.728 -5.329 -5.488 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.818 -6.249 -3.159 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.654 -5.057 -2.708 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.857 -5.098 -1.204 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.972 -3.766 -3.104 1.00 0.50 C ATOM 0 H LEU B 6 -10.046 -7.099 -4.656 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.920 -7.586 -4.388 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.927 -7.036 -2.413 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.771 -5.946 -3.152 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.628 -5.107 -3.195 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.456 -4.241 -0.894 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.373 -6.019 -0.931 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.889 -5.063 -0.705 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.577 -2.920 -2.778 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.990 -3.714 -2.633 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.857 -3.733 -4.187 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.735 -5.581 -6.515 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.993 -4.652 -7.590 1.00 0.32 C ATOM 1068 C TYR B 7 -12.894 -5.312 -8.634 1.00 0.32 C ATOM 1069 O TYR B 7 -13.739 -4.659 -9.246 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.658 -4.237 -8.214 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.986 -3.063 -7.521 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.212 -3.232 -6.364 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -10.123 -1.771 -8.028 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.615 -2.151 -5.755 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.516 -0.689 -7.414 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.766 -0.886 -6.279 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.149 0.185 -5.669 1.00 0.49 O ATOM 0 H TYR B 7 -10.819 -6.026 -6.570 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.501 -3.766 -7.209 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.981 -5.091 -8.197 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.823 -3.981 -9.261 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.083 -4.220 -5.947 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.714 -1.611 -8.917 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -8.025 -2.296 -4.862 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.631 0.304 -7.824 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.692 0.487 -4.911 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.714 -6.626 -8.809 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.502 -7.400 -9.770 1.00 0.35 C ATOM 1089 C ASP B 8 -14.942 -7.514 -9.304 1.00 0.31 C ATOM 1090 O ASP B 8 -15.880 -7.426 -10.103 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.914 -8.806 -9.953 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.545 -8.795 -10.598 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.467 -8.621 -11.835 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.541 -8.971 -9.874 1.00 1.31 O ATOM 0 H ASP B 8 -12.026 -7.176 -8.294 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.471 -6.877 -10.726 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.848 -9.295 -8.981 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.593 -9.401 -10.564 1.00 0.41 H new ATOM 1099 N VAL B 9 -15.105 -7.700 -7.999 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.423 -7.835 -7.390 1.00 0.25 C ATOM 1101 C VAL B 9 -17.252 -6.576 -7.607 1.00 0.25 C ATOM 1102 O VAL B 9 -18.435 -6.644 -7.939 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.297 -8.123 -5.876 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.658 -8.363 -5.243 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.396 -9.319 -5.646 1.00 0.28 C ATOM 0 H VAL B 9 -14.332 -7.761 -7.336 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.928 -8.674 -7.869 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.857 -7.246 -5.402 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.534 -8.563 -4.179 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.282 -7.479 -5.376 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -18.135 -9.219 -5.720 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.314 -9.513 -4.576 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.818 -10.193 -6.142 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.406 -9.113 -6.054 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.610 -5.431 -7.437 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.261 -4.142 -7.609 1.00 0.28 C ATOM 1117 C ALA B 10 -17.733 -3.937 -9.042 1.00 0.33 C ATOM 1118 O ALA B 10 -18.870 -3.528 -9.280 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.305 -3.033 -7.222 1.00 0.31 C ATOM 0 H ALA B 10 -15.626 -5.369 -7.177 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.138 -4.120 -6.962 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.795 -2.068 -7.352 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -16.011 -3.153 -6.179 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.420 -3.078 -7.856 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.856 -4.242 -9.986 1.00 0.36 N ATOM 1126 CA GLU B 11 -17.150 -4.075 -11.404 1.00 0.44 C ATOM 1127 C GLU B 11 -18.371 -4.890 -11.837 1.00 0.47 C ATOM 1128 O GLU B 11 -19.210 -4.406 -12.601 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.930 -4.480 -12.233 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.676 -3.581 -13.432 1.00 1.27 C ATOM 1131 CD GLU B 11 -15.149 -2.218 -13.036 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.914 -2.067 -12.912 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -15.966 -1.290 -12.845 1.00 2.34 O ATOM 0 H GLU B 11 -15.924 -4.611 -9.794 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.382 -3.024 -11.574 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.048 -4.473 -11.592 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -16.063 -5.505 -12.581 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -14.961 -4.063 -14.098 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -16.603 -3.459 -13.993 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.468 -6.116 -11.337 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.575 -6.998 -11.682 1.00 0.49 C ATOM 1142 C TYR B 12 -20.846 -6.616 -10.934 1.00 0.49 C ATOM 1143 O TYR B 12 -21.945 -6.704 -11.479 1.00 0.58 O ATOM 1144 CB TYR B 12 -19.226 -8.454 -11.366 1.00 0.49 C ATOM 1145 CG TYR B 12 -20.294 -9.431 -11.806 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -20.406 -9.806 -13.138 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -21.202 -9.961 -10.896 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -21.392 -10.680 -13.552 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -22.186 -10.839 -11.305 1.00 1.18 C ATOM 1150 CZ TYR B 12 -22.277 -11.193 -12.632 1.00 0.81 C ATOM 1151 OH TYR B 12 -23.264 -12.061 -13.041 1.00 0.94 O ATOM 0 H TYR B 12 -17.792 -6.522 -10.690 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.751 -6.889 -12.752 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -18.285 -8.710 -11.854 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -19.067 -8.558 -10.293 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -19.711 -9.408 -13.862 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -21.137 -9.682 -9.855 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -21.468 -10.959 -14.593 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -22.882 -11.246 -10.586 1.00 1.18 H new ATOM 0 HH TYR B 12 -23.803 -12.331 -12.268 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.697 -6.209 -9.683 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.842 -5.830 -8.866 1.00 0.48 C ATOM 1163 C ALA B 13 -22.451 -4.507 -9.315 1.00 0.52 C ATOM 1164 O ALA B 13 -23.640 -4.266 -9.113 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.445 -5.761 -7.401 1.00 0.43 C ATOM 0 H ALA B 13 -19.796 -6.132 -9.211 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.604 -6.599 -8.994 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.310 -5.477 -6.802 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.083 -6.736 -7.076 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.656 -5.020 -7.272 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.634 -3.651 -9.913 1.00 0.48 N ATOM 1172 CA GLY B 14 -22.122 -2.366 -10.378 1.00 0.55 C ATOM 1173 C GLY B 14 -22.026 -1.293 -9.309 1.00 0.52 C ATOM 1174 O GLY B 14 -22.713 -0.274 -9.377 1.00 0.59 O ATOM 0 H GLY B 14 -20.643 -3.822 -10.085 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -21.549 -2.057 -11.252 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -23.160 -2.467 -10.696 1.00 0.55 H new ATOM 1178 N VAL B 15 -21.171 -1.534 -8.320 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.954 -0.603 -7.217 1.00 0.46 C ATOM 1180 C VAL B 15 -19.507 -0.136 -7.216 1.00 0.43 C ATOM 1181 O VAL B 15 -18.681 -0.678 -7.954 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.261 -1.268 -5.856 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.715 -1.696 -5.781 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.352 -2.469 -5.621 1.00 0.36 C ATOM 0 H VAL B 15 -20.608 -2.382 -8.260 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.626 0.244 -7.357 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.073 -0.531 -5.076 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.908 -2.161 -4.814 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.358 -0.823 -5.898 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.925 -2.411 -6.576 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.587 -2.920 -4.657 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.506 -3.203 -6.412 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.312 -2.144 -5.626 1.00 0.36 H new ATOM 1194 N SER B 16 -19.190 0.868 -6.409 1.00 0.45 N ATOM 1195 CA SER B 16 -17.821 1.334 -6.338 1.00 0.46 C ATOM 1196 C SER B 16 -16.987 0.277 -5.625 1.00 0.41 C ATOM 1197 O SER B 16 -17.520 -0.486 -4.817 1.00 0.39 O ATOM 1198 CB SER B 16 -17.736 2.677 -5.604 1.00 0.50 C ATOM 1199 OG SER B 16 -18.014 2.538 -4.220 1.00 0.64 O ATOM 0 H SER B 16 -19.849 1.363 -5.808 1.00 0.45 H new ATOM 0 HA SER B 16 -17.436 1.491 -7.346 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.740 3.100 -5.734 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.441 3.379 -6.048 1.00 0.50 H new ATOM 0 HG SER B 16 -18.761 1.916 -4.097 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.697 0.209 -5.926 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.824 -0.772 -5.286 1.00 0.41 C ATOM 1207 C TYR B 17 -14.781 -0.537 -3.778 1.00 0.41 C ATOM 1208 O TYR B 17 -14.459 -1.435 -3.000 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.422 -0.725 -5.913 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.347 -0.134 -5.034 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.152 1.232 -4.973 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.519 -0.953 -4.278 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.163 1.771 -4.185 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.527 -0.431 -3.479 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.356 0.942 -3.441 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.370 1.494 -2.672 1.00 1.42 O ATOM 0 H TYR B 17 -15.233 0.815 -6.603 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.225 -1.772 -5.451 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.129 -1.739 -6.187 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.473 -0.148 -6.836 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.786 1.886 -5.553 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.656 -2.023 -4.318 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -11.020 2.841 -4.150 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -9.894 -1.081 -2.893 1.00 1.43 H new ATOM 0 HH TYR B 17 -8.884 0.783 -2.204 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.137 0.677 -3.376 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.164 1.040 -1.973 1.00 0.44 C ATOM 1228 C GLN B 18 -16.397 0.448 -1.302 1.00 0.38 C ATOM 1229 O GLN B 18 -16.417 0.243 -0.090 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.151 2.554 -1.811 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.157 3.025 -0.770 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.398 4.259 -1.206 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.142 4.388 -2.506 1.00 0.93 O flip ATOM 1234 NE2 GLN B 18 -13.043 5.091 -0.382 1.00 0.87 N flip ATOM 0 H GLN B 18 -15.412 1.428 -4.010 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.273 0.635 -1.493 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -14.912 3.015 -2.769 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.149 2.894 -1.534 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -14.684 3.237 0.160 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.449 2.223 -0.560 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.259 4.955 0.606 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.531 5.920 -0.683 1.00 0.87 H new ATOM 1243 N THR B 19 -17.429 0.190 -2.101 1.00 0.39 N ATOM 1244 CA THR B 19 -18.658 -0.415 -1.597 1.00 0.38 C ATOM 1245 C THR B 19 -18.360 -1.834 -1.135 1.00 0.34 C ATOM 1246 O THR B 19 -19.012 -2.370 -0.235 1.00 0.36 O ATOM 1247 CB THR B 19 -19.756 -0.440 -2.682 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.889 0.863 -3.265 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.097 -0.871 -2.108 1.00 0.45 C ATOM 0 H THR B 19 -17.438 0.391 -3.101 1.00 0.39 H new ATOM 0 HA THR B 19 -19.024 0.184 -0.763 1.00 0.38 H new ATOM 0 HB THR B 19 -19.459 -1.163 -3.441 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.813 0.995 -3.562 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.846 -0.877 -2.899 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.007 -1.872 -1.685 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.400 -0.173 -1.327 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.347 -2.424 -1.754 1.00 0.33 N ATOM 1258 CA VAL B 20 -16.912 -3.767 -1.406 1.00 0.33 C ATOM 1259 C VAL B 20 -16.146 -3.704 -0.092 1.00 0.36 C ATOM 1260 O VAL B 20 -16.358 -4.536 0.793 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.040 -4.404 -2.506 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.984 -5.915 -2.340 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.568 -4.045 -3.887 1.00 0.44 C ATOM 0 H VAL B 20 -16.809 -1.990 -2.504 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.794 -4.399 -1.303 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.030 -4.007 -2.408 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.364 -6.345 -3.126 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.557 -6.159 -1.367 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.991 -6.326 -2.407 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.938 -4.505 -4.648 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.590 -4.410 -3.992 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.555 -2.962 -4.011 1.00 0.44 H new ATOM 1273 N SER B 21 -15.242 -2.716 0.021 1.00 0.39 N ATOM 1274 CA SER B 21 -14.489 -2.472 1.237 1.00 0.45 C ATOM 1275 C SER B 21 -15.401 -2.479 2.463 1.00 0.45 C ATOM 1276 O SER B 21 -15.023 -2.968 3.523 1.00 0.52 O ATOM 1277 CB SER B 21 -13.799 -1.125 1.101 1.00 0.50 C ATOM 1278 OG SER B 21 -13.031 -1.091 -0.086 1.00 1.29 O ATOM 0 H SER B 21 -15.021 -2.070 -0.737 1.00 0.39 H new ATOM 0 HA SER B 21 -13.754 -3.265 1.376 1.00 0.45 H new ATOM 0 HB2 SER B 21 -14.541 -0.327 1.086 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.157 -0.947 1.964 1.00 0.50 H new ATOM 0 HG SER B 21 -12.591 -0.219 -0.166 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.615 -1.953 2.298 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.593 -1.900 3.385 1.00 0.51 C ATOM 1286 C ARG B 22 -17.906 -3.302 3.896 1.00 0.54 C ATOM 1287 O ARG B 22 -17.649 -3.622 5.056 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.891 -1.236 2.918 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.683 0.045 2.131 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.102 1.153 2.991 1.00 1.03 C ATOM 1291 NE ARG B 22 -17.949 2.400 2.243 1.00 1.46 N ATOM 1292 CZ ARG B 22 -16.995 3.295 2.486 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -16.095 3.070 3.434 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -16.929 4.410 1.771 1.00 2.66 N ATOM 0 H ARG B 22 -16.945 -1.556 1.418 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.158 -1.310 4.191 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.447 -1.943 2.301 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.509 -1.018 3.789 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.016 -0.150 1.291 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.635 0.372 1.713 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -18.750 1.323 3.851 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.132 0.841 3.379 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.611 2.595 1.492 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -16.133 2.209 3.979 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -15.365 3.758 3.618 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.611 4.583 1.032 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -16.196 5.094 1.960 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.416 -4.142 2.999 1.00 0.50 N ATOM 1309 CA VAL B 23 -18.795 -5.510 3.335 1.00 0.58 C ATOM 1310 C VAL B 23 -17.590 -6.311 3.825 1.00 0.62 C ATOM 1311 O VAL B 23 -17.712 -7.154 4.711 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.421 -6.227 2.117 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.018 -7.563 2.522 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.477 -5.349 1.459 1.00 0.55 C ATOM 0 H VAL B 23 -18.577 -3.894 2.023 1.00 0.50 H new ATOM 0 HA VAL B 23 -19.533 -5.452 4.135 1.00 0.58 H new ATOM 0 HB VAL B 23 -18.628 -6.414 1.393 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.452 -8.048 1.647 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.237 -8.199 2.939 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -20.794 -7.403 3.271 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -20.905 -5.873 0.604 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.265 -5.126 2.179 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.019 -4.419 1.122 1.00 0.55 H new ATOM 1324 N VAL B 24 -16.429 -6.027 3.252 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.203 -6.712 3.625 1.00 0.69 C ATOM 1326 C VAL B 24 -14.781 -6.348 5.048 1.00 0.76 C ATOM 1327 O VAL B 24 -14.241 -7.179 5.784 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.074 -6.381 2.621 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -12.708 -6.745 3.167 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -14.323 -7.093 1.305 1.00 0.66 C ATOM 0 H VAL B 24 -16.312 -5.323 2.523 1.00 0.59 H new ATOM 0 HA VAL B 24 -15.392 -7.785 3.596 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.082 -5.304 2.456 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -11.944 -6.496 2.431 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -12.523 -6.187 4.085 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -12.674 -7.814 3.379 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -13.523 -6.854 0.605 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -14.348 -8.170 1.473 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.277 -6.768 0.890 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.057 -5.110 5.440 1.00 0.72 N ATOM 1341 CA ASN B 25 -14.710 -4.634 6.772 1.00 0.79 C ATOM 1342 C ASN B 25 -15.697 -5.152 7.807 1.00 1.20 C ATOM 1343 O ASN B 25 -15.393 -6.063 8.578 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.693 -3.100 6.802 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.425 -2.498 6.227 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.777 -3.221 5.333 1.00 1.59 O flip ATOM 1347 ND2 ASN B 25 -13.041 -1.380 6.577 1.00 1.07 N flip ATOM 0 H ASN B 25 -15.521 -4.417 4.853 1.00 0.72 H new ATOM 0 HA ASN B 25 -13.717 -5.011 7.015 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.550 -2.724 6.243 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.811 -2.763 7.832 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -13.571 -0.853 7.271 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -12.194 -0.982 6.172 1.00 1.07 H new ATOM 1392 N HIS B 29 -22.538 1.596 5.907 1.00 0.98 N ATOM 1393 CA HIS B 29 -22.629 2.457 4.741 1.00 0.93 C ATOM 1394 C HIS B 29 -23.151 1.694 3.521 1.00 0.85 C ATOM 1395 O HIS B 29 -22.719 1.937 2.391 1.00 1.08 O ATOM 1396 CB HIS B 29 -21.297 3.110 4.379 1.00 1.01 C ATOM 1397 CG HIS B 29 -20.394 3.535 5.505 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -20.490 3.428 6.855 1.00 1.04 N flip ATOM 1399 CD2 HIS B 29 -19.217 4.205 5.266 1.00 1.26 C flip ATOM 1400 CE1 HIS B 29 -19.382 4.032 7.388 1.00 1.07 C flip ATOM 1401 NE2 HIS B 29 -18.633 4.491 6.404 1.00 1.31 N flip ATOM 0 HA HIS B 29 -23.333 3.243 5.015 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -20.743 2.413 3.750 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -21.510 3.989 3.770 1.00 1.01 H new ATOM 0 HD1 HIS B 29 -21.245 2.982 7.375 1.00 1.04 H new ATOM 0 HD2 HIS B 29 -18.832 4.457 4.289 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.158 4.118 8.441 1.00 1.07 H new ATOM 1410 N VAL B 30 -24.062 0.766 3.760 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.671 -0.012 2.695 1.00 0.78 C ATOM 1412 C VAL B 30 -26.165 -0.125 2.948 1.00 0.81 C ATOM 1413 O VAL B 30 -26.588 -0.409 4.062 1.00 0.92 O ATOM 1414 CB VAL B 30 -24.055 -1.423 2.567 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -22.908 -1.417 1.567 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.567 -1.922 3.914 1.00 1.22 C ATOM 0 H VAL B 30 -24.399 0.531 4.694 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.481 0.508 1.756 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.831 -2.098 2.207 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.487 -2.419 1.490 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -23.278 -1.103 0.591 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -22.136 -0.724 1.902 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -23.137 -2.917 3.799 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.809 -1.242 4.301 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -24.404 -1.966 4.611 1.00 1.22 H new ATOM 1426 N SER B 31 -26.954 0.092 1.909 1.00 0.82 N ATOM 1427 CA SER B 31 -28.406 0.056 2.014 1.00 0.88 C ATOM 1428 C SER B 31 -28.956 -1.365 1.893 1.00 0.94 C ATOM 1429 O SER B 31 -30.029 -1.563 1.319 1.00 1.42 O ATOM 1430 CB SER B 31 -28.996 0.947 0.921 1.00 0.90 C ATOM 1431 OG SER B 31 -28.044 1.151 -0.114 1.00 0.83 O ATOM 0 H SER B 31 -26.609 0.298 0.971 1.00 0.82 H new ATOM 0 HA SER B 31 -28.692 0.423 3.000 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.895 0.486 0.512 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.294 1.906 1.345 1.00 0.90 H new ATOM 0 HG SER B 31 -28.434 1.722 -0.809 1.00 0.83 H new ATOM 1437 N ALA B 32 -28.205 -2.338 2.437 1.00 0.88 N ATOM 1438 CA ALA B 32 -28.569 -3.764 2.408 1.00 0.92 C ATOM 1439 C ALA B 32 -28.480 -4.340 0.995 1.00 0.86 C ATOM 1440 O ALA B 32 -27.798 -5.340 0.768 1.00 0.88 O ATOM 1441 CB ALA B 32 -29.960 -3.984 2.989 1.00 1.07 C ATOM 0 H ALA B 32 -27.322 -2.155 2.913 1.00 0.88 H new ATOM 0 HA ALA B 32 -27.848 -4.295 3.029 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.204 -5.046 2.956 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -29.981 -3.639 4.023 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -30.691 -3.425 2.405 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.162 -3.687 0.060 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.183 -4.098 -1.335 1.00 0.87 C ATOM 1449 C LYS B 33 -27.769 -4.189 -1.900 1.00 0.79 C ATOM 1450 O LYS B 33 -27.409 -5.188 -2.525 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.011 -3.103 -2.150 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.232 -3.521 -3.592 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.183 -2.576 -4.305 1.00 1.82 C ATOM 1454 CE LYS B 33 -30.643 -1.151 -4.341 1.00 2.55 C ATOM 1455 NZ LYS B 33 -29.554 -0.983 -5.339 1.00 3.30 N ATOM 0 H LYS B 33 -29.718 -2.854 0.252 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.636 -5.087 -1.398 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -30.980 -2.971 -1.668 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.513 -2.134 -2.135 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.277 -3.542 -4.116 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.634 -4.534 -3.621 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -31.349 -2.928 -5.323 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -32.150 -2.586 -3.802 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -31.456 -0.463 -4.575 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -30.271 -0.881 -3.353 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -29.220 0.002 -5.326 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -28.766 -1.619 -5.103 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -29.913 -1.214 -6.287 1.00 3.30 H new ATOM 1469 N THR B 34 -26.968 -3.150 -1.663 1.00 0.68 N ATOM 1470 CA THR B 34 -25.592 -3.116 -2.142 1.00 0.61 C ATOM 1471 C THR B 34 -24.760 -4.216 -1.495 1.00 0.57 C ATOM 1472 O THR B 34 -23.923 -4.839 -2.146 1.00 0.54 O ATOM 1473 CB THR B 34 -24.944 -1.752 -1.859 1.00 0.64 C ATOM 1474 OG1 THR B 34 -25.493 -1.181 -0.663 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.164 -0.806 -3.022 1.00 0.73 C ATOM 0 H THR B 34 -27.252 -2.321 -1.141 1.00 0.68 H new ATOM 0 HA THR B 34 -25.619 -3.280 -3.219 1.00 0.61 H new ATOM 0 HB THR B 34 -23.873 -1.904 -1.726 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.072 -0.313 -0.492 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.698 0.155 -2.803 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.719 -1.228 -3.923 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.233 -0.663 -3.178 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.006 -4.460 -0.211 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.289 -5.495 0.531 1.00 0.61 C ATOM 1485 C ARG B 35 -24.550 -6.869 -0.080 1.00 0.60 C ATOM 1486 O ARG B 35 -23.617 -7.620 -0.361 1.00 0.60 O ATOM 1487 CB ARG B 35 -24.715 -5.480 2.002 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.191 -6.657 2.812 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.062 -6.918 4.034 1.00 1.00 C ATOM 1490 NE ARG B 35 -24.623 -8.090 4.796 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.845 -8.257 6.098 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.504 -7.340 6.785 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.424 -9.353 6.708 1.00 3.21 N ATOM 0 H ARG B 35 -25.699 -3.953 0.340 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.221 -5.288 0.471 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -24.368 -4.554 2.460 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -25.804 -5.473 2.054 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.163 -7.549 2.186 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.167 -6.457 3.128 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -25.046 -6.041 4.681 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.095 -7.061 3.716 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.117 -8.822 4.299 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.845 -6.500 6.318 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -25.672 -7.473 7.782 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -23.928 -10.072 6.181 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -24.595 -9.479 7.706 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.829 -7.172 -0.295 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.241 -8.448 -0.881 1.00 0.67 C ATOM 1509 C GLU B 36 -25.715 -8.581 -2.305 1.00 0.62 C ATOM 1510 O GLU B 36 -25.410 -9.680 -2.763 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.767 -8.573 -0.869 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.360 -8.627 0.529 1.00 0.84 C ATOM 1513 CD GLU B 36 -29.872 -8.721 0.521 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.538 -7.665 0.530 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -30.402 -9.853 0.514 1.00 1.98 O ATOM 0 H GLU B 36 -26.603 -6.547 -0.071 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.818 -9.252 -0.279 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.197 -7.727 -1.405 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -28.054 -9.474 -1.412 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -27.950 -9.486 1.060 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.059 -7.737 1.081 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.611 -7.453 -2.999 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.108 -7.443 -4.365 1.00 0.56 C ATOM 1524 C LYS B 37 -23.631 -7.822 -4.371 1.00 0.48 C ATOM 1525 O LYS B 37 -23.196 -8.659 -5.160 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.317 -6.066 -5.010 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.863 -5.990 -6.460 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.564 -7.024 -7.328 1.00 1.13 C ATOM 1529 CE LYS B 37 -27.024 -6.667 -7.560 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.199 -5.775 -8.736 1.00 1.66 N ATOM 0 H LYS B 37 -25.869 -6.535 -2.637 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.663 -8.175 -4.951 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.374 -5.807 -4.956 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.776 -5.318 -4.430 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -25.062 -4.992 -6.851 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -23.785 -6.143 -6.512 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.052 -7.102 -8.287 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -25.500 -8.002 -6.852 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.601 -7.580 -7.708 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.423 -6.178 -6.671 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.208 -5.556 -8.859 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.669 -4.893 -8.584 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -26.842 -6.251 -9.589 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.874 -7.210 -3.471 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.447 -7.478 -3.351 1.00 0.37 C ATOM 1546 C VAL B 38 -21.211 -8.912 -2.875 1.00 0.39 C ATOM 1547 O VAL B 38 -20.389 -9.636 -3.441 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.771 -6.482 -2.380 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.319 -6.861 -2.133 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -20.875 -5.061 -2.916 1.00 0.38 C ATOM 0 H VAL B 38 -23.227 -6.520 -2.809 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.000 -7.352 -4.337 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.296 -6.529 -1.426 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -18.868 -6.144 -1.447 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.273 -7.859 -1.697 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.775 -6.852 -3.077 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.394 -4.374 -2.220 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.381 -5.001 -3.886 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -21.925 -4.790 -3.027 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.945 -9.308 -1.837 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.848 -10.656 -1.280 1.00 0.50 C ATOM 1562 C GLU B 39 -22.083 -11.710 -2.354 1.00 0.53 C ATOM 1563 O GLU B 39 -21.329 -12.676 -2.455 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.856 -10.840 -0.143 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.349 -10.349 1.198 1.00 0.63 C ATOM 1566 CD GLU B 39 -21.420 -11.342 1.862 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -20.216 -11.345 1.540 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -21.897 -12.138 2.702 1.00 1.79 O ATOM 0 H GLU B 39 -22.619 -8.709 -1.361 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.839 -10.782 -0.886 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.774 -10.308 -0.392 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -23.111 -11.897 -0.062 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.827 -9.402 1.061 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -23.197 -10.154 1.855 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.124 -11.511 -3.162 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.450 -12.449 -4.233 1.00 0.61 C ATOM 1577 C ALA B 40 -22.405 -12.415 -5.344 1.00 0.53 C ATOM 1578 O ALA B 40 -22.048 -13.454 -5.902 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.828 -12.147 -4.800 1.00 0.70 C ATOM 0 H ALA B 40 -23.753 -10.711 -3.095 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.452 -13.452 -3.806 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -25.056 -12.854 -5.597 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.574 -12.237 -4.010 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.843 -11.133 -5.200 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.913 -11.219 -5.659 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.909 -11.056 -6.702 1.00 0.43 C ATOM 1587 C ALA B 41 -19.612 -11.760 -6.335 1.00 0.38 C ATOM 1588 O ALA B 41 -18.896 -12.251 -7.206 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.652 -9.583 -6.978 1.00 0.42 C ATOM 0 H ALA B 41 -22.195 -10.350 -5.206 1.00 0.47 H new ATOM 0 HA ALA B 41 -21.298 -11.517 -7.610 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.899 -9.485 -7.760 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.577 -9.107 -7.303 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -20.295 -9.099 -6.069 1.00 0.42 H new ATOM 1595 N MET B 42 -19.319 -11.818 -5.040 1.00 0.38 N ATOM 1596 CA MET B 42 -18.112 -12.482 -4.563 1.00 0.40 C ATOM 1597 C MET B 42 -18.094 -13.937 -5.014 1.00 0.45 C ATOM 1598 O MET B 42 -17.037 -14.499 -5.289 1.00 0.52 O ATOM 1599 CB MET B 42 -18.017 -12.408 -3.039 1.00 0.44 C ATOM 1600 CG MET B 42 -17.721 -11.015 -2.506 1.00 0.41 C ATOM 1601 SD MET B 42 -17.316 -11.024 -0.751 1.00 0.51 S ATOM 1602 CE MET B 42 -17.250 -9.269 -0.414 1.00 0.46 C ATOM 0 H MET B 42 -19.899 -11.414 -4.304 1.00 0.38 H new ATOM 0 HA MET B 42 -17.251 -11.967 -4.990 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.955 -12.759 -2.609 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.237 -13.089 -2.700 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.891 -10.583 -3.066 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.586 -10.373 -2.673 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.408 -9.056 0.244 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.126 -8.723 -1.349 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.176 -8.956 0.069 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.281 -14.522 -5.130 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.406 -15.910 -5.546 1.00 0.53 C ATOM 1614 C ALA B 43 -19.360 -16.030 -7.066 1.00 0.55 C ATOM 1615 O ALA B 43 -18.822 -16.999 -7.607 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.688 -16.513 -5.003 1.00 0.61 C ATOM 0 H ALA B 43 -20.168 -14.055 -4.942 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.561 -16.464 -5.137 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.766 -17.552 -5.324 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.678 -16.469 -3.914 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.543 -15.952 -5.381 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.906 -15.026 -7.744 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.933 -15.004 -9.201 1.00 0.58 C ATOM 1624 C GLU B 44 -18.521 -14.962 -9.758 1.00 0.59 C ATOM 1625 O GLU B 44 -18.186 -15.669 -10.708 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.715 -13.792 -9.699 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.160 -13.764 -9.231 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.981 -14.899 -9.807 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.425 -14.790 -10.970 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -23.187 -15.906 -9.099 1.00 1.29 O ATOM 0 H GLU B 44 -20.338 -14.213 -7.304 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.424 -15.914 -9.547 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.215 -12.884 -9.361 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.695 -13.780 -10.789 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.187 -13.817 -8.143 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.612 -12.813 -9.515 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.696 -14.118 -9.158 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.307 -13.983 -9.580 1.00 0.55 C ATOM 1639 C LEU B 45 -15.401 -14.928 -8.803 1.00 0.55 C ATOM 1640 O LEU B 45 -14.197 -14.905 -9.012 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.779 -12.557 -9.353 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.390 -11.436 -10.193 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.954 -11.954 -11.498 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.447 -10.709 -9.394 1.00 0.99 C ATOM 0 H LEU B 45 -17.962 -13.516 -8.378 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.291 -14.223 -10.643 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.925 -12.308 -8.302 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.704 -12.564 -9.532 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.596 -10.734 -10.448 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.379 -11.126 -12.065 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -16.158 -12.421 -12.078 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.732 -12.689 -11.292 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.877 -9.912 -10.000 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.231 -11.409 -9.106 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.996 -10.281 -8.499 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.988 -15.760 -7.925 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.226 -16.683 -7.056 1.00 0.59 C ATOM 1658 C ASN B 46 -14.059 -15.925 -6.410 1.00 0.54 C ATOM 1659 O ASN B 46 -12.919 -16.377 -6.389 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.752 -17.968 -7.791 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.860 -17.731 -9.003 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.341 -17.604 -10.129 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -12.556 -17.680 -8.782 1.00 1.40 N ATOM 0 H ASN B 46 -16.998 -15.814 -7.796 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.898 -17.039 -6.275 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.213 -18.596 -7.081 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -15.630 -18.529 -8.110 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -11.912 -17.531 -9.559 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.195 -17.790 -7.834 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.409 -14.767 -5.854 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.473 -13.841 -5.222 1.00 0.46 C ATOM 1672 C TYR B 47 -12.546 -14.512 -4.206 1.00 0.52 C ATOM 1673 O TYR B 47 -12.989 -15.063 -3.198 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.280 -12.720 -4.553 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.471 -11.719 -3.748 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.143 -11.444 -4.053 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -14.046 -11.047 -2.672 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.412 -10.534 -3.313 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.320 -10.138 -1.928 1.00 1.33 C ATOM 1680 CZ TYR B 47 -12.005 -9.885 -2.251 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.280 -8.981 -1.506 1.00 0.51 O ATOM 0 H TYR B 47 -15.375 -14.439 -5.830 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.820 -13.443 -5.999 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.827 -12.180 -5.326 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -15.021 -13.174 -3.895 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.674 -11.951 -4.883 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -15.077 -11.240 -2.415 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.381 -10.332 -3.565 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.782 -9.627 -1.096 1.00 1.33 H new ATOM 0 HH TYR B 47 -11.847 -8.613 -0.796 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.253 -14.439 -4.499 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.208 -14.972 -3.634 1.00 0.64 C ATOM 1693 C ILE B 48 -9.296 -13.808 -3.245 1.00 0.59 C ATOM 1694 O ILE B 48 -8.381 -13.465 -3.991 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.373 -16.079 -4.321 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.283 -17.172 -4.897 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.376 -16.677 -3.332 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -9.606 -18.028 -5.949 1.00 1.28 C ATOM 0 H ILE B 48 -10.898 -14.005 -5.351 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.675 -15.430 -2.762 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.820 -15.631 -5.147 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.628 -17.812 -4.085 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -11.167 -16.706 -5.332 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.794 -17.455 -3.827 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.706 -15.896 -2.973 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.915 -17.108 -2.488 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.307 -18.780 -6.313 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.286 -17.399 -6.779 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -8.738 -18.522 -5.513 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.563 -13.194 -2.072 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.830 -12.021 -1.559 1.00 0.64 C ATOM 1712 C PRO B 49 -7.333 -12.012 -1.876 1.00 0.60 C ATOM 1713 O PRO B 49 -6.624 -12.985 -1.594 1.00 0.66 O ATOM 1714 CB PRO B 49 -9.066 -12.128 -0.056 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.434 -12.706 0.060 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.606 -13.630 -1.120 1.00 0.72 C ATOM 0 HA PRO B 49 -9.181 -11.098 -2.021 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.322 -12.767 0.419 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -9.004 -11.153 0.427 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.548 -13.249 0.998 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.190 -11.921 0.052 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.473 -14.673 -0.833 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.603 -13.543 -1.553 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.875 -10.900 -2.471 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.472 -10.710 -2.838 1.00 0.58 C ATOM 1726 C ASN B 50 -4.565 -10.961 -1.638 1.00 0.60 C ATOM 1727 O ASN B 50 -4.385 -10.087 -0.798 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.231 -9.279 -3.344 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.158 -8.830 -4.469 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.378 -8.977 -4.392 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.572 -8.259 -5.521 1.00 0.68 N ATOM 0 H ASN B 50 -7.472 -10.108 -2.710 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.240 -11.422 -3.630 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.340 -8.590 -2.506 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.200 -9.200 -3.689 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.138 -7.925 -6.301 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.558 -8.156 -5.546 1.00 0.68 H new ATOM 1738 N ARG B 51 -3.979 -12.145 -1.574 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.109 -12.516 -0.465 1.00 0.84 C ATOM 1740 C ARG B 51 -1.925 -11.562 -0.333 1.00 0.76 C ATOM 1741 O ARG B 51 -1.555 -11.176 0.773 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.608 -13.950 -0.641 1.00 1.06 C ATOM 1743 CG ARG B 51 -1.649 -14.398 0.453 1.00 1.68 C ATOM 1744 CD ARG B 51 -1.833 -15.869 0.787 1.00 2.18 C ATOM 1745 NE ARG B 51 -3.068 -16.107 1.531 1.00 2.97 N ATOM 1746 CZ ARG B 51 -3.701 -17.278 1.572 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.223 -18.322 0.905 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -4.816 -17.401 2.281 1.00 4.76 N ATOM 0 H ARG B 51 -4.090 -12.872 -2.281 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.696 -12.449 0.451 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.464 -14.625 -0.662 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.110 -14.036 -1.607 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -0.622 -14.222 0.132 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -1.811 -13.798 1.348 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -1.846 -16.452 -0.134 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -0.983 -16.218 1.373 1.00 2.18 H new ATOM 0 HE ARG B 51 -3.470 -15.328 2.051 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -2.367 -18.229 0.358 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.712 -19.217 0.940 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -5.186 -16.600 2.793 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -5.303 -18.297 2.314 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.354 -11.167 -1.461 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.196 -10.284 -1.462 1.00 0.62 C ATOM 1764 C CYS B 52 -0.563 -8.830 -1.187 1.00 0.58 C ATOM 1765 O CYS B 52 -0.012 -8.202 -0.284 1.00 0.61 O ATOM 1766 CB CYS B 52 0.529 -10.391 -2.803 1.00 0.66 C ATOM 1767 SG CYS B 52 1.060 -12.084 -3.215 1.00 0.70 S ATOM 0 H CYS B 52 -1.674 -11.444 -2.389 1.00 0.66 H new ATOM 0 HA CYS B 52 0.457 -10.607 -0.651 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.128 -10.024 -3.591 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.403 -9.739 -2.787 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.499 -8.309 -1.961 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.917 -6.918 -1.836 1.00 0.52 C ATOM 1774 C ALA B 53 -2.692 -6.624 -0.550 1.00 0.51 C ATOM 1775 O ALA B 53 -2.491 -5.578 0.056 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.727 -6.521 -3.052 1.00 0.53 C ATOM 0 H ALA B 53 -1.989 -8.830 -2.688 1.00 0.54 H new ATOM 0 HA ALA B 53 -1.009 -6.317 -1.778 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -3.039 -5.481 -2.958 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -2.118 -6.637 -3.949 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.608 -7.159 -3.126 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.559 -7.538 -0.124 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.352 -7.314 1.089 1.00 0.53 C ATOM 1784 C GLN B 54 -3.496 -7.361 2.344 1.00 0.58 C ATOM 1785 O GLN B 54 -3.612 -6.489 3.205 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.491 -8.322 1.211 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.671 -8.032 0.301 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.966 -8.600 0.847 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.963 -9.572 1.602 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -9.079 -7.999 0.471 1.00 0.64 N ATOM 0 H GLN B 54 -3.732 -8.429 -0.590 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.775 -6.314 0.996 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.108 -9.317 0.986 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.838 -8.340 2.244 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.774 -6.954 0.174 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.479 -8.453 -0.686 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.038 -7.196 -0.156 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.980 -8.338 0.808 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.645 -8.377 2.463 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.775 -8.501 3.631 1.00 0.62 C ATOM 1801 C GLN B 55 -0.906 -7.261 3.754 1.00 0.60 C ATOM 1802 O GLN B 55 -0.642 -6.767 4.850 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.895 -9.749 3.526 1.00 0.65 C ATOM 1804 CG GLN B 55 0.051 -9.926 4.704 1.00 1.19 C ATOM 1805 CD GLN B 55 0.856 -11.208 4.626 1.00 1.78 C ATOM 1806 OE1 GLN B 55 1.158 -11.707 3.541 1.00 2.38 O ATOM 1807 NE2 GLN B 55 1.222 -11.740 5.781 1.00 2.52 N ATOM 0 H GLN B 55 -2.539 -9.120 1.773 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.398 -8.598 4.520 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.534 -10.629 3.448 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.312 -9.696 2.607 1.00 0.65 H new ATOM 0 HG2 GLN B 55 0.733 -9.077 4.747 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -0.524 -9.920 5.630 1.00 1.19 H new ATOM 0 HE21 GLN B 55 0.950 -11.294 6.657 1.00 2.52 H new ATOM 0 HE22 GLN B 55 1.776 -12.596 5.795 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.479 -6.772 2.606 1.00 0.54 N ATOM 1817 CA LEU B 56 0.339 -5.585 2.514 1.00 0.53 C ATOM 1818 C LEU B 56 -0.443 -4.363 2.958 1.00 0.55 C ATOM 1819 O LEU B 56 -0.206 -3.824 4.037 1.00 0.58 O ATOM 1820 CB LEU B 56 0.768 -5.411 1.068 1.00 0.48 C ATOM 1821 CG LEU B 56 2.074 -4.676 0.860 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.160 -5.290 1.710 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.455 -4.728 -0.597 1.00 0.46 C ATOM 0 H LEU B 56 -0.694 -7.194 1.703 1.00 0.54 H new ATOM 0 HA LEU B 56 1.209 -5.692 3.163 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.849 -6.397 0.610 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.019 -4.876 0.536 1.00 0.48 H new ATOM 0 HG LEU B 56 1.952 -3.635 1.159 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.094 -4.752 1.551 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.879 -5.226 2.761 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.292 -6.336 1.432 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.396 -4.198 -0.746 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.570 -5.767 -0.906 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.675 -4.256 -1.194 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.403 -3.986 2.125 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.241 -2.814 2.341 1.00 0.59 C ATOM 1837 C ALA B 57 -2.873 -2.770 3.730 1.00 0.68 C ATOM 1838 O ALA B 57 -2.831 -1.738 4.408 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.310 -2.769 1.266 1.00 0.55 C ATOM 0 H ALA B 57 -1.625 -4.493 1.268 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.600 -1.935 2.279 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.943 -1.895 1.419 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.838 -2.708 0.286 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.919 -3.672 1.320 1.00 0.55 H new