USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 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 33:sc= 1.17 USER MOD Set 1.2: B 34 THR OG1 : rot 180:sc= 1.19 USER MOD Set 2.1: B 16 SER OG : rot 180:sc= 0.45 USER MOD Set 2.2: B 19 THR OG1 : rot 90:sc= 1.12 USER MOD Set 3.1: B 7 TYR OH : rot -83:sc= 0.952 USER MOD Set 3.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.146 USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= 0.079 USER MOD Set 5.1: A 28 SER OG : rot 180:sc= 0.0297 USER MOD Set 5.2: A 29 HIS : no HD1:sc= -0.723 K(o=-0.69,f=0.45) USER MOD Set 6.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.032) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 1.17 USER MOD Set 7.2: A 19 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 5 THR OG1 : rot -68:sc= 0.176 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 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.66) USER MOD Single : A 26 GLN : amide:sc= -0.785 K(o=-0.78,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 143:sc= -1.76 (180deg=-2.92!) USER MOD Single : A 46 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.69) 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 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 5 THR OG1 : rot -72:sc= -0.239! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.42) USER MOD Single : B 21 SER OG : rot -51:sc= 1.03 USER MOD Single : B 25 ASN : amide:sc= 0.315 K(o=0.32,f=-0.2) USER MOD Single : B 29 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.011) USER MOD Single : B 33 LYS NZ :NH3+ -167:sc= -0.0146 (180deg=-0.194) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -126:sc= -0.42 (180deg=-3.31!) USER MOD Single : B 46 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.1!) USER MOD Single : B 47 TYR OH : rot 180:sc= -1.3 USER MOD Single : B 50 ASN : amide:sc= -4.13! C(o=-4.1!,f=-12!) USER MOD Single : B 54 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.9) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.730 -9.286 12.279 1.00 0.87 N ATOM 43 CA PRO A 3 5.591 -9.432 11.103 1.00 0.67 C ATOM 44 C PRO A 3 6.668 -8.352 11.045 1.00 0.57 C ATOM 45 O PRO A 3 6.366 -7.156 11.045 1.00 0.62 O ATOM 46 CB PRO A 3 4.624 -9.290 9.922 1.00 0.89 C ATOM 47 CG PRO A 3 3.282 -9.601 10.484 1.00 1.30 C ATOM 48 CD PRO A 3 3.314 -9.131 11.908 1.00 1.15 C ATOM 0 HA PRO A 3 6.131 -10.379 11.109 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.654 -8.283 9.506 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.883 -9.976 9.115 1.00 0.89 H new ATOM 0 HG2 PRO A 3 2.497 -9.094 9.923 1.00 1.30 H new ATOM 0 HG3 PRO A 3 3.074 -10.670 10.430 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.985 -8.096 11.998 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.663 -9.730 12.545 1.00 1.15 H new ATOM 56 N VAL A 4 7.920 -8.780 11.012 1.00 0.48 N ATOM 57 CA VAL A 4 9.040 -7.863 10.956 1.00 0.41 C ATOM 58 C VAL A 4 9.158 -7.290 9.559 1.00 0.36 C ATOM 59 O VAL A 4 9.111 -8.023 8.570 1.00 0.37 O ATOM 60 CB VAL A 4 10.352 -8.569 11.344 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.484 -7.567 11.499 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.164 -9.357 12.626 1.00 0.54 C ATOM 0 H VAL A 4 8.184 -9.765 11.023 1.00 0.48 H new ATOM 0 HA VAL A 4 8.863 -7.058 11.669 1.00 0.41 H new ATOM 0 HB VAL A 4 10.618 -9.258 10.543 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.399 -8.092 11.773 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.636 -7.041 10.557 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.230 -6.849 12.279 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.099 -9.852 12.890 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.872 -8.681 13.429 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.385 -10.106 12.482 1.00 0.54 H new ATOM 72 N THR A 5 9.289 -5.983 9.480 1.00 0.33 N ATOM 73 CA THR A 5 9.393 -5.312 8.204 1.00 0.31 C ATOM 74 C THR A 5 10.823 -4.862 7.966 1.00 0.26 C ATOM 75 O THR A 5 11.657 -4.933 8.873 1.00 0.26 O ATOM 76 CB THR A 5 8.434 -4.098 8.143 1.00 0.36 C ATOM 77 OG1 THR A 5 9.121 -2.901 8.520 1.00 0.37 O ATOM 78 CG2 THR A 5 7.247 -4.306 9.071 1.00 0.41 C ATOM 0 H THR A 5 9.326 -5.363 10.289 1.00 0.33 H new ATOM 0 HA THR A 5 9.107 -6.015 7.421 1.00 0.31 H new ATOM 0 HB THR A 5 8.076 -4.003 7.118 1.00 0.36 H new ATOM 0 HG1 THR A 5 9.344 -2.938 9.473 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.585 -3.442 9.014 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.703 -5.201 8.770 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.602 -4.424 10.095 1.00 0.41 H new ATOM 86 N LEU A 6 11.113 -4.403 6.753 1.00 0.24 N ATOM 87 CA LEU A 6 12.453 -3.930 6.419 1.00 0.20 C ATOM 88 C LEU A 6 12.784 -2.675 7.225 1.00 0.21 C ATOM 89 O LEU A 6 13.944 -2.280 7.344 1.00 0.20 O ATOM 90 CB LEU A 6 12.600 -3.674 4.905 1.00 0.21 C ATOM 91 CG LEU A 6 12.053 -2.346 4.371 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.318 -2.236 2.882 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.564 -2.204 4.645 1.00 0.29 C ATOM 0 H LEU A 6 10.442 -4.348 5.987 1.00 0.24 H new ATOM 0 HA LEU A 6 13.166 -4.711 6.684 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.659 -3.731 4.652 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.101 -4.485 4.374 1.00 0.21 H new ATOM 0 HG LEU A 6 12.568 -1.539 4.893 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.926 -1.289 2.512 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.392 -2.280 2.699 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.827 -3.060 2.363 1.00 0.29 H new ATOM 0 HD21 LEU A 6 10.211 -1.250 4.252 1.00 0.29 H new ATOM 0 HD22 LEU A 6 10.025 -3.018 4.160 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.387 -2.242 5.720 1.00 0.29 H new ATOM 105 N TYR A 7 11.750 -2.066 7.802 1.00 0.25 N ATOM 106 CA TYR A 7 11.923 -0.878 8.617 1.00 0.28 C ATOM 107 C TYR A 7 12.466 -1.273 9.983 1.00 0.28 C ATOM 108 O TYR A 7 13.263 -0.552 10.579 1.00 0.30 O ATOM 109 CB TYR A 7 10.599 -0.133 8.812 1.00 0.34 C ATOM 110 CG TYR A 7 9.937 0.358 7.546 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.497 1.380 6.794 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.734 -0.187 7.120 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.879 1.842 5.649 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.107 0.272 5.980 1.00 0.44 C ATOM 115 CZ TYR A 7 8.684 1.285 5.247 1.00 0.44 C ATOM 116 OH TYR A 7 8.062 1.752 4.114 1.00 0.49 O ATOM 0 H TYR A 7 10.784 -2.381 7.716 1.00 0.25 H new ATOM 0 HA TYR A 7 12.621 -0.219 8.101 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.904 -0.792 9.332 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.776 0.722 9.464 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.431 1.821 7.109 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.281 -0.984 7.691 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.330 2.636 5.071 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.169 -0.161 5.664 1.00 0.44 H new ATOM 0 HH TYR A 7 7.231 1.254 3.968 1.00 0.49 H new ATOM 126 N ASP A 8 12.030 -2.432 10.470 1.00 0.28 N ATOM 127 CA ASP A 8 12.464 -2.922 11.773 1.00 0.29 C ATOM 128 C ASP A 8 13.940 -3.260 11.740 1.00 0.24 C ATOM 129 O ASP A 8 14.670 -3.014 12.701 1.00 0.25 O ATOM 130 CB ASP A 8 11.666 -4.158 12.185 1.00 0.35 C ATOM 131 CG ASP A 8 10.228 -3.832 12.521 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.972 -3.326 13.635 1.00 1.51 O ATOM 133 OD2 ASP A 8 9.345 -4.076 11.670 1.00 1.75 O ATOM 0 H ASP A 8 11.378 -3.047 9.983 1.00 0.28 H new ATOM 0 HA ASP A 8 12.289 -2.133 12.505 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.690 -4.889 11.377 1.00 0.35 H new ATOM 0 HB3 ASP A 8 12.142 -4.622 13.049 1.00 0.35 H new ATOM 138 N VAL A 9 14.375 -3.818 10.619 1.00 0.21 N ATOM 139 CA VAL A 9 15.769 -4.186 10.438 1.00 0.19 C ATOM 140 C VAL A 9 16.614 -2.935 10.329 1.00 0.18 C ATOM 141 O VAL A 9 17.686 -2.836 10.926 1.00 0.20 O ATOM 142 CB VAL A 9 15.956 -5.038 9.172 1.00 0.19 C ATOM 143 CG1 VAL A 9 17.349 -5.631 9.117 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.910 -6.130 9.120 1.00 0.22 C ATOM 0 H VAL A 9 13.778 -4.026 9.819 1.00 0.21 H new ATOM 0 HA VAL A 9 16.082 -4.774 11.301 1.00 0.19 H new ATOM 0 HB VAL A 9 15.833 -4.392 8.302 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.454 -6.229 8.212 1.00 0.20 H new ATOM 0 HG12 VAL A 9 18.086 -4.828 9.110 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.510 -6.263 9.990 1.00 0.20 H new ATOM 0 HG21 VAL A 9 15.052 -6.727 8.219 1.00 0.22 H new ATOM 0 HG22 VAL A 9 15.007 -6.769 9.998 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.917 -5.682 9.105 1.00 0.22 H new ATOM 154 N ALA A 10 16.100 -1.975 9.573 1.00 0.19 N ATOM 155 CA ALA A 10 16.772 -0.704 9.367 1.00 0.22 C ATOM 156 C ALA A 10 17.010 0.010 10.689 1.00 0.26 C ATOM 157 O ALA A 10 18.061 0.607 10.902 1.00 0.30 O ATOM 158 CB ALA A 10 15.954 0.171 8.431 1.00 0.26 C ATOM 0 H ALA A 10 15.207 -2.057 9.087 1.00 0.19 H new ATOM 0 HA ALA A 10 17.743 -0.899 8.912 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.465 1.122 8.282 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.838 -0.332 7.471 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.972 0.352 8.867 1.00 0.26 H new ATOM 164 N GLU A 11 16.037 -0.076 11.581 1.00 0.29 N ATOM 165 CA GLU A 11 16.135 0.564 12.886 1.00 0.35 C ATOM 166 C GLU A 11 17.166 -0.124 13.776 1.00 0.37 C ATOM 167 O GLU A 11 17.917 0.537 14.494 1.00 0.46 O ATOM 168 CB GLU A 11 14.773 0.555 13.583 1.00 0.37 C ATOM 169 CG GLU A 11 13.755 1.495 12.962 1.00 0.94 C ATOM 170 CD GLU A 11 14.218 2.937 12.976 1.00 1.51 C ATOM 171 OE1 GLU A 11 14.128 3.585 14.040 1.00 2.21 O ATOM 172 OE2 GLU A 11 14.676 3.430 11.924 1.00 2.14 O ATOM 0 H GLU A 11 15.166 -0.584 11.426 1.00 0.29 H new ATOM 0 HA GLU A 11 16.458 1.592 12.722 1.00 0.35 H new ATOM 0 HB2 GLU A 11 14.374 -0.459 13.565 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.910 0.825 14.630 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.561 1.188 11.934 1.00 0.94 H new ATOM 0 HG3 GLU A 11 12.812 1.414 13.503 1.00 0.94 H new ATOM 179 N TYR A 12 17.204 -1.447 13.719 1.00 0.32 N ATOM 180 CA TYR A 12 18.131 -2.219 14.534 1.00 0.38 C ATOM 181 C TYR A 12 19.555 -2.121 14.003 1.00 0.38 C ATOM 182 O TYR A 12 20.511 -2.102 14.779 1.00 0.45 O ATOM 183 CB TYR A 12 17.698 -3.682 14.586 1.00 0.39 C ATOM 184 CG TYR A 12 18.384 -4.489 15.673 1.00 0.47 C ATOM 185 CD1 TYR A 12 19.620 -5.089 15.456 1.00 1.38 C ATOM 186 CD2 TYR A 12 17.792 -4.648 16.919 1.00 1.10 C ATOM 187 CE1 TYR A 12 20.246 -5.822 16.448 1.00 1.49 C ATOM 188 CE2 TYR A 12 18.411 -5.380 17.918 1.00 1.07 C ATOM 189 CZ TYR A 12 19.637 -5.965 17.678 1.00 0.69 C ATOM 190 OH TYR A 12 20.253 -6.698 18.672 1.00 0.82 O ATOM 0 H TYR A 12 16.603 -2.009 13.116 1.00 0.32 H new ATOM 0 HA TYR A 12 18.114 -1.800 15.540 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.620 -3.726 14.740 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.901 -4.145 13.620 1.00 0.39 H new ATOM 0 HD1 TYR A 12 20.100 -4.980 14.495 1.00 1.38 H new ATOM 0 HD2 TYR A 12 16.832 -4.193 17.112 1.00 1.10 H new ATOM 0 HE1 TYR A 12 21.206 -6.280 16.261 1.00 1.49 H new ATOM 0 HE2 TYR A 12 17.936 -5.493 18.881 1.00 1.07 H new ATOM 0 HH TYR A 12 19.691 -6.698 19.475 1.00 0.82 H new ATOM 200 N ALA A 13 19.697 -2.049 12.686 1.00 0.33 N ATOM 201 CA ALA A 13 21.013 -1.974 12.069 1.00 0.36 C ATOM 202 C ALA A 13 21.519 -0.537 11.994 1.00 0.39 C ATOM 203 O ALA A 13 22.707 -0.296 11.787 1.00 0.46 O ATOM 204 CB ALA A 13 20.978 -2.596 10.683 1.00 0.33 C ATOM 0 H ALA A 13 18.919 -2.041 12.027 1.00 0.33 H new ATOM 0 HA ALA A 13 21.707 -2.535 12.695 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.968 -2.534 10.231 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.679 -3.641 10.761 1.00 0.33 H new ATOM 0 HB3 ALA A 13 20.261 -2.059 10.061 1.00 0.33 H new ATOM 210 N GLY A 14 20.612 0.414 12.167 1.00 0.38 N ATOM 211 CA GLY A 14 20.987 1.813 12.104 1.00 0.43 C ATOM 212 C GLY A 14 21.172 2.257 10.672 1.00 0.43 C ATOM 213 O GLY A 14 22.068 3.041 10.356 1.00 0.52 O ATOM 0 H GLY A 14 19.623 0.242 12.350 1.00 0.38 H new ATOM 0 HA2 GLY A 14 20.219 2.421 12.581 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.911 1.972 12.660 1.00 0.43 H new ATOM 217 N VAL A 15 20.314 1.746 9.807 1.00 0.35 N ATOM 218 CA VAL A 15 20.362 2.047 8.389 1.00 0.35 C ATOM 219 C VAL A 15 18.983 2.445 7.895 1.00 0.34 C ATOM 220 O VAL A 15 18.089 2.729 8.689 1.00 0.36 O ATOM 221 CB VAL A 15 20.850 0.829 7.577 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.281 0.483 7.938 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.940 -0.372 7.799 1.00 0.28 C ATOM 0 H VAL A 15 19.562 1.109 10.070 1.00 0.35 H new ATOM 0 HA VAL A 15 21.063 2.870 8.248 1.00 0.35 H new ATOM 0 HB VAL A 15 20.815 1.093 6.520 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.605 -0.378 7.354 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.927 1.333 7.720 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.341 0.245 9.000 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.305 -1.218 7.216 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.936 -0.635 8.857 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.927 -0.124 7.483 1.00 0.28 H new ATOM 233 N SER A 16 18.811 2.457 6.585 1.00 0.35 N ATOM 234 CA SER A 16 17.533 2.792 6.001 1.00 0.35 C ATOM 235 C SER A 16 16.881 1.529 5.463 1.00 0.32 C ATOM 236 O SER A 16 17.566 0.534 5.207 1.00 0.32 O ATOM 237 CB SER A 16 17.704 3.826 4.884 1.00 0.40 C ATOM 238 OG SER A 16 18.301 3.253 3.734 1.00 1.26 O ATOM 0 H SER A 16 19.543 2.238 5.909 1.00 0.35 H new ATOM 0 HA SER A 16 16.893 3.230 6.767 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.732 4.243 4.621 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.319 4.652 5.242 1.00 0.40 H new ATOM 0 HG SER A 16 18.395 3.937 3.039 1.00 1.26 H new ATOM 244 N TYR A 17 15.566 1.550 5.329 1.00 0.32 N ATOM 245 CA TYR A 17 14.834 0.406 4.802 1.00 0.30 C ATOM 246 C TYR A 17 15.315 0.083 3.393 1.00 0.31 C ATOM 247 O TYR A 17 15.312 -1.072 2.970 1.00 0.30 O ATOM 248 CB TYR A 17 13.331 0.685 4.802 1.00 0.33 C ATOM 249 CG TYR A 17 12.928 1.898 4.001 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.936 3.156 4.577 1.00 1.27 C ATOM 251 CD2 TYR A 17 12.537 1.784 2.675 1.00 1.14 C ATOM 252 CE1 TYR A 17 12.567 4.272 3.862 1.00 1.32 C ATOM 253 CE2 TYR A 17 12.165 2.896 1.949 1.00 1.16 C ATOM 254 CZ TYR A 17 12.183 4.137 2.547 1.00 0.54 C ATOM 255 OH TYR A 17 11.817 5.246 1.833 1.00 0.65 O ATOM 0 H TYR A 17 14.980 2.347 5.578 1.00 0.32 H new ATOM 0 HA TYR A 17 15.022 -0.455 5.443 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.811 -0.187 4.406 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.997 0.816 5.831 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.238 3.264 5.608 1.00 1.27 H new ATOM 0 HD2 TYR A 17 12.524 0.812 2.205 1.00 1.14 H new ATOM 0 HE1 TYR A 17 12.579 5.246 4.329 1.00 1.32 H new ATOM 0 HE2 TYR A 17 11.861 2.795 0.918 1.00 1.16 H new ATOM 0 HH TYR A 17 11.574 4.982 0.921 1.00 0.65 H new ATOM 265 N GLN A 18 15.735 1.123 2.678 1.00 0.35 N ATOM 266 CA GLN A 18 16.248 0.974 1.327 1.00 0.37 C ATOM 267 C GLN A 18 17.561 0.200 1.361 1.00 0.33 C ATOM 268 O GLN A 18 17.862 -0.590 0.463 1.00 0.34 O ATOM 269 CB GLN A 18 16.456 2.348 0.695 1.00 0.46 C ATOM 270 CG GLN A 18 16.980 2.304 -0.729 1.00 0.77 C ATOM 271 CD GLN A 18 16.050 1.581 -1.685 1.00 0.50 C ATOM 272 OE1 GLN A 18 14.841 1.571 -1.504 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.617 0.976 -2.713 1.00 1.09 N ATOM 0 H GLN A 18 15.728 2.084 3.019 1.00 0.35 H new ATOM 0 HA GLN A 18 15.527 0.421 0.725 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.509 2.888 0.705 1.00 0.46 H new ATOM 0 HB3 GLN A 18 17.154 2.917 1.310 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.135 3.323 -1.084 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.953 1.812 -0.737 1.00 0.77 H new ATOM 0 HE21 GLN A 18 17.630 1.008 -2.828 1.00 1.09 H new ATOM 0 HE22 GLN A 18 16.042 0.477 -3.392 1.00 1.09 H new ATOM 282 N THR A 19 18.337 0.438 2.415 1.00 0.33 N ATOM 283 CA THR A 19 19.599 -0.252 2.612 1.00 0.34 C ATOM 284 C THR A 19 19.318 -1.728 2.846 1.00 0.29 C ATOM 285 O THR A 19 19.906 -2.593 2.206 1.00 0.31 O ATOM 286 CB THR A 19 20.376 0.321 3.817 1.00 0.39 C ATOM 287 OG1 THR A 19 20.545 1.736 3.664 1.00 0.49 O ATOM 288 CG2 THR A 19 21.738 -0.338 3.963 1.00 0.45 C ATOM 0 H THR A 19 18.108 1.109 3.148 1.00 0.33 H new ATOM 0 HA THR A 19 20.213 -0.114 1.722 1.00 0.34 H new ATOM 0 HB THR A 19 19.796 0.113 4.716 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.672 2.178 3.720 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.258 0.088 4.821 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.609 -1.410 4.113 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.324 -0.166 3.060 1.00 0.45 H new ATOM 296 N VAL A 20 18.377 -1.990 3.750 1.00 0.25 N ATOM 297 CA VAL A 20 17.969 -3.346 4.081 1.00 0.21 C ATOM 298 C VAL A 20 17.459 -4.072 2.843 1.00 0.20 C ATOM 299 O VAL A 20 17.867 -5.194 2.557 1.00 0.24 O ATOM 300 CB VAL A 20 16.867 -3.328 5.157 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.302 -4.725 5.395 1.00 0.23 C ATOM 302 CG2 VAL A 20 17.403 -2.727 6.445 1.00 0.24 C ATOM 0 H VAL A 20 17.879 -1.268 4.271 1.00 0.25 H new ATOM 0 HA VAL A 20 18.840 -3.875 4.468 1.00 0.21 H new ATOM 0 HB VAL A 20 16.048 -2.704 4.799 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.527 -4.678 6.160 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.875 -5.108 4.468 1.00 0.23 H new ATOM 0 HG13 VAL A 20 17.100 -5.389 5.728 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.615 -2.719 7.198 1.00 0.24 H new ATOM 0 HG22 VAL A 20 18.242 -3.323 6.803 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.737 -1.706 6.259 1.00 0.24 H new ATOM 312 N SER A 21 16.566 -3.417 2.111 1.00 0.22 N ATOM 313 CA SER A 21 15.999 -3.989 0.897 1.00 0.25 C ATOM 314 C SER A 21 17.086 -4.324 -0.120 1.00 0.27 C ATOM 315 O SER A 21 17.022 -5.358 -0.788 1.00 0.32 O ATOM 316 CB SER A 21 14.978 -3.022 0.293 1.00 0.32 C ATOM 317 OG SER A 21 14.277 -3.613 -0.790 1.00 0.87 O ATOM 0 H SER A 21 16.218 -2.486 2.339 1.00 0.22 H new ATOM 0 HA SER A 21 15.497 -4.920 1.161 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.269 -2.714 1.061 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.487 -2.122 -0.050 1.00 0.32 H new ATOM 0 HG SER A 21 13.632 -2.970 -1.152 1.00 0.87 H new ATOM 323 N ARG A 22 18.088 -3.464 -0.229 1.00 0.30 N ATOM 324 CA ARG A 22 19.182 -3.698 -1.166 1.00 0.40 C ATOM 325 C ARG A 22 20.023 -4.892 -0.721 1.00 0.39 C ATOM 326 O ARG A 22 20.678 -5.539 -1.533 1.00 0.58 O ATOM 327 CB ARG A 22 20.068 -2.459 -1.294 1.00 0.51 C ATOM 328 CG ARG A 22 19.514 -1.372 -2.202 1.00 0.82 C ATOM 329 CD ARG A 22 20.420 -0.151 -2.191 1.00 0.75 C ATOM 330 NE ARG A 22 19.870 0.962 -2.963 1.00 0.73 N ATOM 331 CZ ARG A 22 19.781 2.209 -2.504 1.00 1.18 C ATOM 332 NH1 ARG A 22 20.178 2.498 -1.269 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.274 3.160 -3.271 1.00 1.28 N ATOM 0 H ARG A 22 18.168 -2.604 0.314 1.00 0.30 H new ATOM 0 HA ARG A 22 18.745 -3.915 -2.141 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.226 -2.038 -0.301 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.044 -2.765 -1.670 1.00 0.51 H new ATOM 0 HG2 ARG A 22 19.421 -1.753 -3.219 1.00 0.82 H new ATOM 0 HG3 ARG A 22 18.513 -1.092 -1.874 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.580 0.169 -1.161 1.00 0.75 H new ATOM 0 HD3 ARG A 22 21.395 -0.423 -2.595 1.00 0.75 H new ATOM 0 HE ARG A 22 19.535 0.773 -3.908 1.00 0.73 H new ATOM 0 HH11 ARG A 22 20.553 1.763 -0.669 1.00 2.03 H new ATOM 0 HH12 ARG A 22 20.108 3.454 -0.922 1.00 2.03 H new ATOM 0 HH21 ARG A 22 18.952 2.938 -4.213 1.00 1.28 H new ATOM 0 HH22 ARG A 22 19.205 4.115 -2.921 1.00 1.28 H new ATOM 347 N VAL A 23 20.000 -5.181 0.578 1.00 0.29 N ATOM 348 CA VAL A 23 20.747 -6.307 1.125 1.00 0.33 C ATOM 349 C VAL A 23 19.966 -7.596 0.916 1.00 0.34 C ATOM 350 O VAL A 23 20.516 -8.614 0.499 1.00 0.43 O ATOM 351 CB VAL A 23 21.038 -6.135 2.632 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.764 -7.353 3.186 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.845 -4.873 2.876 1.00 0.33 C ATOM 0 H VAL A 23 19.472 -4.650 1.270 1.00 0.29 H new ATOM 0 HA VAL A 23 21.700 -6.349 0.598 1.00 0.33 H new ATOM 0 HB VAL A 23 20.086 -6.042 3.155 1.00 0.34 H new ATOM 0 HG11 VAL A 23 21.958 -7.209 4.249 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.145 -8.240 3.047 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.709 -7.484 2.659 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.041 -4.767 3.943 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.791 -4.936 2.338 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.283 -4.008 2.523 1.00 0.33 H new ATOM 363 N VAL A 24 18.672 -7.527 1.202 1.00 0.29 N ATOM 364 CA VAL A 24 17.784 -8.672 1.046 1.00 0.32 C ATOM 365 C VAL A 24 17.714 -9.102 -0.417 1.00 0.34 C ATOM 366 O VAL A 24 17.788 -10.292 -0.730 1.00 0.41 O ATOM 367 CB VAL A 24 16.364 -8.355 1.559 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.471 -9.575 1.457 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.409 -7.855 2.993 1.00 0.35 C ATOM 0 H VAL A 24 18.212 -6.684 1.546 1.00 0.29 H new ATOM 0 HA VAL A 24 18.194 -9.487 1.642 1.00 0.32 H new ATOM 0 HB VAL A 24 15.947 -7.568 0.931 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.475 -9.328 1.824 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.406 -9.892 0.416 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.889 -10.383 2.057 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.397 -7.638 3.334 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.851 -8.620 3.631 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.012 -6.948 3.043 1.00 0.35 H new ATOM 379 N ASN A 25 17.581 -8.128 -1.312 1.00 0.33 N ATOM 380 CA ASN A 25 17.509 -8.415 -2.745 1.00 0.42 C ATOM 381 C ASN A 25 18.900 -8.637 -3.337 1.00 0.76 C ATOM 382 O ASN A 25 19.029 -9.087 -4.480 1.00 0.94 O ATOM 383 CB ASN A 25 16.808 -7.285 -3.499 1.00 0.83 C ATOM 384 CG ASN A 25 15.333 -7.194 -3.167 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.515 -7.950 -3.689 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.985 -6.262 -2.299 1.00 1.15 N ATOM 0 H ASN A 25 17.521 -7.138 -1.075 1.00 0.33 H new ATOM 0 HA ASN A 25 16.928 -9.330 -2.859 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.290 -6.338 -3.258 1.00 0.83 H new ATOM 0 HB3 ASN A 25 16.927 -7.440 -4.571 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.006 -6.148 -2.038 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.696 -5.656 -1.889 1.00 1.15 H new ATOM 393 N GLN A 26 19.927 -8.313 -2.548 1.00 1.08 N ATOM 394 CA GLN A 26 21.323 -8.469 -2.956 1.00 1.58 C ATOM 395 C GLN A 26 21.638 -7.597 -4.167 1.00 1.10 C ATOM 396 O GLN A 26 21.965 -8.095 -5.244 1.00 1.64 O ATOM 397 CB GLN A 26 21.640 -9.937 -3.250 1.00 2.64 C ATOM 398 CG GLN A 26 21.534 -10.832 -2.027 1.00 3.42 C ATOM 399 CD GLN A 26 21.758 -12.300 -2.342 1.00 4.28 C ATOM 400 OE1 GLN A 26 21.193 -13.178 -1.687 1.00 4.88 O ATOM 401 NE2 GLN A 26 22.598 -12.581 -3.325 1.00 4.73 N ATOM 0 H GLN A 26 19.813 -7.935 -1.608 1.00 1.08 H new ATOM 0 HA GLN A 26 21.954 -8.141 -2.130 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.958 -10.302 -4.018 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.648 -10.009 -3.658 1.00 2.64 H new ATOM 0 HG2 GLN A 26 22.264 -10.510 -1.284 1.00 3.42 H new ATOM 0 HG3 GLN A 26 20.548 -10.709 -1.579 1.00 3.42 H new ATOM 0 HE21 GLN A 26 23.046 -11.826 -3.844 1.00 4.73 H new ATOM 0 HE22 GLN A 26 22.797 -13.552 -3.563 1.00 4.73 H new ATOM 410 N ALA A 27 21.532 -6.291 -3.978 1.00 0.83 N ATOM 411 CA ALA A 27 21.795 -5.329 -5.030 1.00 1.50 C ATOM 412 C ALA A 27 23.118 -4.613 -4.791 1.00 1.34 C ATOM 413 O ALA A 27 23.920 -5.029 -3.954 1.00 2.01 O ATOM 414 CB ALA A 27 20.657 -4.322 -5.105 1.00 2.27 C ATOM 0 H ALA A 27 21.261 -5.871 -3.089 1.00 0.83 H new ATOM 0 HA ALA A 27 21.864 -5.862 -5.978 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.860 -3.602 -5.897 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.724 -4.843 -5.319 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.571 -3.799 -4.153 1.00 2.27 H new ATOM 420 N SER A 28 23.331 -3.532 -5.521 1.00 1.04 N ATOM 421 CA SER A 28 24.547 -2.742 -5.399 1.00 0.84 C ATOM 422 C SER A 28 24.356 -1.608 -4.383 1.00 0.71 C ATOM 423 O SER A 28 23.418 -1.648 -3.582 1.00 0.73 O ATOM 424 CB SER A 28 24.936 -2.191 -6.774 1.00 0.91 C ATOM 425 OG SER A 28 23.798 -1.718 -7.475 1.00 1.52 O ATOM 0 H SER A 28 22.670 -3.177 -6.212 1.00 1.04 H new ATOM 0 HA SER A 28 25.354 -3.377 -5.034 1.00 0.84 H new ATOM 0 HB2 SER A 28 25.656 -1.381 -6.654 1.00 0.91 H new ATOM 0 HB3 SER A 28 25.427 -2.971 -7.356 1.00 0.91 H new ATOM 0 HG SER A 28 24.073 -1.370 -8.349 1.00 1.52 H new ATOM 431 N HIS A 29 25.233 -0.590 -4.436 1.00 0.61 N ATOM 432 CA HIS A 29 25.188 0.559 -3.536 1.00 0.53 C ATOM 433 C HIS A 29 25.527 0.187 -2.088 1.00 0.59 C ATOM 434 O HIS A 29 26.484 0.701 -1.526 1.00 0.76 O ATOM 435 CB HIS A 29 23.847 1.281 -3.574 1.00 0.50 C ATOM 436 CG HIS A 29 23.288 1.580 -4.943 1.00 0.50 C ATOM 437 ND1 HIS A 29 22.197 2.399 -5.128 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.675 1.196 -6.188 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.939 2.509 -6.411 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.816 1.789 -7.077 1.00 0.63 N ATOM 0 H HIS A 29 25.996 -0.548 -5.112 1.00 0.61 H new ATOM 0 HA HIS A 29 25.956 1.238 -3.907 1.00 0.53 H new ATOM 0 HB2 HIS A 29 23.119 0.679 -3.031 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.949 2.222 -3.033 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.503 0.546 -6.431 1.00 0.64 H new ATOM 0 HE1 HIS A 29 21.141 3.092 -6.846 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.851 1.688 -8.091 1.00 0.63 H new ATOM 449 N VAL A 30 24.750 -0.693 -1.483 1.00 0.66 N ATOM 450 CA VAL A 30 24.996 -1.079 -0.103 1.00 0.76 C ATOM 451 C VAL A 30 26.330 -1.798 0.039 1.00 0.72 C ATOM 452 O VAL A 30 26.544 -2.872 -0.529 1.00 0.78 O ATOM 453 CB VAL A 30 23.862 -1.951 0.464 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.170 -2.370 1.892 1.00 1.01 C ATOM 455 CG2 VAL A 30 22.551 -1.195 0.411 1.00 1.16 C ATOM 0 H VAL A 30 23.950 -1.151 -1.919 1.00 0.66 H new ATOM 0 HA VAL A 30 25.031 -0.157 0.478 1.00 0.76 H new ATOM 0 HB VAL A 30 23.778 -2.850 -0.146 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.356 -2.986 2.274 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.098 -2.942 1.911 1.00 1.01 H new ATOM 0 HG13 VAL A 30 24.278 -1.483 2.516 1.00 1.01 H new ATOM 0 HG21 VAL A 30 21.754 -1.820 0.814 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.632 -0.284 1.003 1.00 1.16 H new ATOM 0 HG23 VAL A 30 22.322 -0.937 -0.623 1.00 1.16 H new ATOM 465 N SER A 31 27.217 -1.189 0.805 1.00 0.71 N ATOM 466 CA SER A 31 28.545 -1.733 1.037 1.00 0.76 C ATOM 467 C SER A 31 28.493 -2.903 2.022 1.00 0.83 C ATOM 468 O SER A 31 27.464 -3.139 2.659 1.00 1.30 O ATOM 469 CB SER A 31 29.463 -0.628 1.556 1.00 0.75 C ATOM 470 OG SER A 31 28.707 0.455 2.075 1.00 0.74 O ATOM 0 H SER A 31 27.039 -0.306 1.283 1.00 0.71 H new ATOM 0 HA SER A 31 28.941 -2.114 0.096 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.116 -1.027 2.333 1.00 0.75 H new ATOM 0 HB3 SER A 31 30.106 -0.275 0.750 1.00 0.75 H new ATOM 0 HG SER A 31 29.315 1.150 2.403 1.00 0.74 H new ATOM 476 N ALA A 32 29.597 -3.631 2.144 1.00 0.86 N ATOM 477 CA ALA A 32 29.669 -4.777 3.045 1.00 0.86 C ATOM 478 C ALA A 32 29.430 -4.366 4.498 1.00 0.75 C ATOM 479 O ALA A 32 28.752 -5.073 5.241 1.00 0.69 O ATOM 480 CB ALA A 32 31.011 -5.474 2.905 1.00 1.06 C ATOM 0 H ALA A 32 30.458 -3.448 1.629 1.00 0.86 H new ATOM 0 HA ALA A 32 28.878 -5.472 2.764 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.051 -6.327 3.583 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.136 -5.820 1.879 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.811 -4.776 3.153 1.00 1.06 H new ATOM 486 N LYS A 33 29.973 -3.211 4.884 1.00 0.80 N ATOM 487 CA LYS A 33 29.829 -2.693 6.243 1.00 0.78 C ATOM 488 C LYS A 33 28.364 -2.636 6.663 1.00 0.67 C ATOM 489 O LYS A 33 27.997 -3.091 7.747 1.00 0.69 O ATOM 490 CB LYS A 33 30.440 -1.295 6.338 1.00 0.94 C ATOM 491 CG LYS A 33 30.169 -0.600 7.663 1.00 1.53 C ATOM 492 CD LYS A 33 30.345 0.900 7.545 1.00 1.99 C ATOM 493 CE LYS A 33 29.784 1.619 8.758 1.00 2.99 C ATOM 494 NZ LYS A 33 29.801 3.094 8.587 1.00 3.39 N ATOM 0 H LYS A 33 30.522 -2.612 4.267 1.00 0.80 H new ATOM 0 HA LYS A 33 30.354 -3.371 6.916 1.00 0.78 H new ATOM 0 HB2 LYS A 33 31.517 -1.368 6.189 1.00 0.94 H new ATOM 0 HB3 LYS A 33 30.047 -0.680 5.528 1.00 0.94 H new ATOM 0 HG2 LYS A 33 29.155 -0.824 7.993 1.00 1.53 H new ATOM 0 HG3 LYS A 33 30.845 -0.989 8.425 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.404 1.137 7.437 1.00 1.99 H new ATOM 0 HD3 LYS A 33 29.845 1.257 6.645 1.00 1.99 H new ATOM 0 HE2 LYS A 33 28.761 1.286 8.936 1.00 2.99 H new ATOM 0 HE3 LYS A 33 30.365 1.349 9.640 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 29.410 3.547 9.438 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 30.779 3.416 8.443 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 29.226 3.354 7.761 1.00 3.39 H new ATOM 508 N THR A 34 27.527 -2.081 5.801 1.00 0.61 N ATOM 509 CA THR A 34 26.112 -1.962 6.093 1.00 0.54 C ATOM 510 C THR A 34 25.364 -3.251 5.773 1.00 0.51 C ATOM 511 O THR A 34 24.356 -3.566 6.396 1.00 0.49 O ATOM 512 CB THR A 34 25.496 -0.796 5.306 1.00 0.53 C ATOM 513 OG1 THR A 34 26.304 -0.511 4.156 1.00 0.65 O ATOM 514 CG2 THR A 34 25.395 0.441 6.178 1.00 0.56 C ATOM 0 H THR A 34 27.805 -1.707 4.894 1.00 0.61 H new ATOM 0 HA THR A 34 26.015 -1.767 7.161 1.00 0.54 H new ATOM 0 HB THR A 34 24.493 -1.081 4.987 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.908 0.232 3.654 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.956 1.257 5.603 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.766 0.227 7.042 1.00 0.56 H new ATOM 0 HG23 THR A 34 26.390 0.730 6.516 1.00 0.56 H new ATOM 522 N ARG A 35 25.878 -4.006 4.819 1.00 0.51 N ATOM 523 CA ARG A 35 25.253 -5.257 4.406 1.00 0.51 C ATOM 524 C ARG A 35 25.303 -6.295 5.520 1.00 0.52 C ATOM 525 O ARG A 35 24.300 -6.937 5.833 1.00 0.52 O ATOM 526 CB ARG A 35 25.962 -5.794 3.161 1.00 0.53 C ATOM 527 CG ARG A 35 25.267 -6.973 2.509 1.00 0.70 C ATOM 528 CD ARG A 35 25.880 -7.295 1.157 1.00 0.79 C ATOM 529 NE ARG A 35 25.861 -6.135 0.263 1.00 1.64 N ATOM 530 CZ ARG A 35 25.365 -6.159 -0.968 1.00 2.19 C ATOM 531 NH1 ARG A 35 24.866 -7.286 -1.466 1.00 2.09 N ATOM 532 NH2 ARG A 35 25.383 -5.061 -1.710 1.00 3.31 N ATOM 0 H ARG A 35 26.732 -3.776 4.311 1.00 0.51 H new ATOM 0 HA ARG A 35 24.205 -5.059 4.179 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.049 -4.989 2.431 1.00 0.53 H new ATOM 0 HB3 ARG A 35 26.975 -6.089 3.433 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.337 -7.845 3.160 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.207 -6.751 2.387 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.908 -7.632 1.294 1.00 0.79 H new ATOM 0 HD3 ARG A 35 25.334 -8.118 0.697 1.00 0.79 H new ATOM 0 HE ARG A 35 26.252 -5.258 0.606 1.00 1.64 H new ATOM 0 HH11 ARG A 35 24.863 -8.136 -0.902 1.00 2.09 H new ATOM 0 HH12 ARG A 35 24.486 -7.301 -2.412 1.00 2.09 H new ATOM 0 HH21 ARG A 35 25.778 -4.198 -1.335 1.00 3.31 H new ATOM 0 HH22 ARG A 35 25.002 -5.078 -2.656 1.00 3.31 H new ATOM 546 N GLU A 36 26.470 -6.429 6.130 1.00 0.56 N ATOM 547 CA GLU A 36 26.678 -7.406 7.192 1.00 0.58 C ATOM 548 C GLU A 36 25.907 -7.057 8.460 1.00 0.54 C ATOM 549 O GLU A 36 25.567 -7.944 9.242 1.00 0.61 O ATOM 550 CB GLU A 36 28.170 -7.541 7.493 1.00 0.67 C ATOM 551 CG GLU A 36 28.973 -7.982 6.283 1.00 0.70 C ATOM 552 CD GLU A 36 30.421 -8.293 6.603 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.083 -7.464 7.263 1.00 1.39 O ATOM 554 OE2 GLU A 36 30.905 -9.367 6.186 1.00 1.45 O ATOM 0 H GLU A 36 27.294 -5.870 5.907 1.00 0.56 H new ATOM 0 HA GLU A 36 26.291 -8.362 6.838 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.553 -6.585 7.849 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.310 -8.261 8.299 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.506 -8.866 5.849 1.00 0.70 H new ATOM 0 HG3 GLU A 36 28.936 -7.198 5.526 1.00 0.70 H new ATOM 561 N LYS A 37 25.612 -5.777 8.663 1.00 0.49 N ATOM 562 CA LYS A 37 24.875 -5.376 9.853 1.00 0.47 C ATOM 563 C LYS A 37 23.387 -5.598 9.640 1.00 0.39 C ATOM 564 O LYS A 37 22.644 -5.855 10.585 1.00 0.38 O ATOM 565 CB LYS A 37 25.170 -3.923 10.243 1.00 0.52 C ATOM 566 CG LYS A 37 24.627 -2.870 9.292 1.00 0.86 C ATOM 567 CD LYS A 37 24.904 -1.469 9.816 1.00 0.84 C ATOM 568 CE LYS A 37 26.385 -1.256 10.075 1.00 0.73 C ATOM 569 NZ LYS A 37 26.642 -0.038 10.887 1.00 0.98 N ATOM 0 H LYS A 37 25.866 -5.015 8.034 1.00 0.49 H new ATOM 0 HA LYS A 37 25.207 -5.998 10.684 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.757 -3.740 11.235 1.00 0.52 H new ATOM 0 HB3 LYS A 37 26.250 -3.797 10.319 1.00 0.52 H new ATOM 0 HG2 LYS A 37 25.083 -2.992 8.310 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.553 -3.009 9.164 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.550 -0.733 9.095 1.00 0.84 H new ATOM 0 HD3 LYS A 37 24.345 -1.307 10.738 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.791 -2.127 10.590 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.911 -1.174 9.124 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.665 0.068 11.039 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 26.278 0.797 10.385 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 26.163 -0.126 11.806 1.00 0.98 H new ATOM 583 N VAL A 38 22.958 -5.518 8.386 1.00 0.36 N ATOM 584 CA VAL A 38 21.559 -5.737 8.044 1.00 0.31 C ATOM 585 C VAL A 38 21.226 -7.217 8.155 1.00 0.32 C ATOM 586 O VAL A 38 20.198 -7.595 8.722 1.00 0.31 O ATOM 587 CB VAL A 38 21.228 -5.237 6.623 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.815 -5.634 6.224 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.400 -3.733 6.545 1.00 0.30 C ATOM 0 H VAL A 38 23.559 -5.303 7.590 1.00 0.36 H new ATOM 0 HA VAL A 38 20.955 -5.165 8.748 1.00 0.31 H new ATOM 0 HB VAL A 38 21.920 -5.706 5.923 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.605 -5.270 5.218 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.723 -6.720 6.244 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.103 -5.197 6.924 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.164 -3.392 5.537 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.729 -3.253 7.258 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.431 -3.472 6.784 1.00 0.30 H new ATOM 599 N GLU A 39 22.120 -8.048 7.626 1.00 0.36 N ATOM 600 CA GLU A 39 21.943 -9.496 7.669 1.00 0.39 C ATOM 601 C GLU A 39 21.935 -9.980 9.113 1.00 0.41 C ATOM 602 O GLU A 39 21.249 -10.940 9.460 1.00 0.43 O ATOM 603 CB GLU A 39 23.067 -10.189 6.899 1.00 0.44 C ATOM 604 CG GLU A 39 23.080 -9.869 5.414 1.00 0.55 C ATOM 605 CD GLU A 39 22.468 -10.969 4.575 1.00 0.82 C ATOM 606 OE1 GLU A 39 23.204 -11.896 4.183 1.00 1.44 O ATOM 607 OE2 GLU A 39 21.251 -10.912 4.299 1.00 1.59 O ATOM 0 H GLU A 39 22.975 -7.743 7.162 1.00 0.36 H new ATOM 0 HA GLU A 39 20.989 -9.744 7.204 1.00 0.39 H new ATOM 0 HB2 GLU A 39 24.024 -9.899 7.332 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.972 -11.267 7.028 1.00 0.44 H new ATOM 0 HG2 GLU A 39 22.536 -8.941 5.242 1.00 0.55 H new ATOM 0 HG3 GLU A 39 24.108 -9.701 5.092 1.00 0.55 H new ATOM 614 N ALA A 40 22.699 -9.291 9.951 1.00 0.43 N ATOM 615 CA ALA A 40 22.796 -9.634 11.360 1.00 0.46 C ATOM 616 C ALA A 40 21.589 -9.116 12.134 1.00 0.41 C ATOM 617 O ALA A 40 21.125 -9.758 13.075 1.00 0.43 O ATOM 618 CB ALA A 40 24.077 -9.068 11.946 1.00 0.52 C ATOM 0 H ALA A 40 23.263 -8.487 9.675 1.00 0.43 H new ATOM 0 HA ALA A 40 22.813 -10.720 11.447 1.00 0.46 H new ATOM 0 HB1 ALA A 40 24.141 -9.330 13.002 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.934 -9.484 11.416 1.00 0.52 H new ATOM 0 HB3 ALA A 40 24.077 -7.983 11.841 1.00 0.52 H new ATOM 624 N ALA A 41 21.082 -7.952 11.733 1.00 0.37 N ATOM 625 CA ALA A 41 19.929 -7.350 12.395 1.00 0.34 C ATOM 626 C ALA A 41 18.664 -8.143 12.113 1.00 0.31 C ATOM 627 O ALA A 41 17.848 -8.370 13.008 1.00 0.34 O ATOM 628 CB ALA A 41 19.753 -5.901 11.963 1.00 0.31 C ATOM 0 H ALA A 41 21.452 -7.408 10.953 1.00 0.37 H new ATOM 0 HA ALA A 41 20.113 -7.370 13.469 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.888 -5.473 12.469 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.645 -5.332 12.225 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.600 -5.859 10.885 1.00 0.31 H new ATOM 634 N MET A 42 18.517 -8.583 10.870 1.00 0.28 N ATOM 635 CA MET A 42 17.353 -9.362 10.472 1.00 0.29 C ATOM 636 C MET A 42 17.413 -10.765 11.070 1.00 0.35 C ATOM 637 O MET A 42 16.439 -11.511 11.023 1.00 0.39 O ATOM 638 CB MET A 42 17.244 -9.429 8.942 1.00 0.27 C ATOM 639 CG MET A 42 18.281 -10.321 8.289 1.00 0.33 C ATOM 640 SD MET A 42 17.969 -10.584 6.534 1.00 0.35 S ATOM 641 CE MET A 42 18.601 -9.057 5.843 1.00 0.33 C ATOM 0 H MET A 42 19.189 -8.414 10.121 1.00 0.28 H new ATOM 0 HA MET A 42 16.462 -8.866 10.857 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.250 -9.788 8.674 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.339 -8.422 8.537 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.268 -9.876 8.415 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.298 -11.284 8.799 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.087 -9.263 4.889 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.778 -8.360 5.688 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.323 -8.618 6.531 1.00 0.33 H new ATOM 651 N ALA A 43 18.563 -11.115 11.637 1.00 0.40 N ATOM 652 CA ALA A 43 18.743 -12.418 12.261 1.00 0.47 C ATOM 653 C ALA A 43 18.348 -12.342 13.728 1.00 0.48 C ATOM 654 O ALA A 43 18.005 -13.345 14.356 1.00 0.53 O ATOM 655 CB ALA A 43 20.184 -12.882 12.115 1.00 0.52 C ATOM 0 H ALA A 43 19.385 -10.512 11.676 1.00 0.40 H new ATOM 0 HA ALA A 43 18.102 -13.145 11.762 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.302 -13.858 12.587 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.437 -12.958 11.057 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.848 -12.164 12.596 1.00 0.52 H new ATOM 661 N GLU A 44 18.389 -11.127 14.258 1.00 0.46 N ATOM 662 CA GLU A 44 18.031 -10.868 15.645 1.00 0.46 C ATOM 663 C GLU A 44 16.528 -10.782 15.800 1.00 0.45 C ATOM 664 O GLU A 44 15.933 -11.432 16.655 1.00 0.48 O ATOM 665 CB GLU A 44 18.633 -9.548 16.114 1.00 0.45 C ATOM 666 CG GLU A 44 20.143 -9.521 16.096 1.00 0.51 C ATOM 667 CD GLU A 44 20.755 -10.518 17.061 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.176 -10.730 18.149 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.811 -11.098 16.735 1.00 1.36 O ATOM 0 H GLU A 44 18.671 -10.295 13.739 1.00 0.46 H new ATOM 0 HA GLU A 44 18.420 -11.691 16.245 1.00 0.46 H new ATOM 0 HB2 GLU A 44 18.258 -8.744 15.481 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.288 -9.343 17.127 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.495 -9.735 15.087 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.488 -8.518 16.348 1.00 0.51 H new ATOM 676 N LEU A 45 15.927 -9.960 14.959 1.00 0.42 N ATOM 677 CA LEU A 45 14.491 -9.746 14.987 1.00 0.44 C ATOM 678 C LEU A 45 13.764 -10.773 14.126 1.00 0.48 C ATOM 679 O LEU A 45 12.560 -10.662 13.930 1.00 0.52 O ATOM 680 CB LEU A 45 14.166 -8.337 14.489 1.00 0.49 C ATOM 681 CG LEU A 45 15.167 -7.266 14.910 1.00 0.82 C ATOM 682 CD1 LEU A 45 15.324 -6.228 13.815 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.735 -6.616 16.212 1.00 1.88 C ATOM 0 H LEU A 45 16.416 -9.425 14.242 1.00 0.42 H new ATOM 0 HA LEU A 45 14.152 -9.860 16.017 1.00 0.44 H new ATOM 0 HB2 LEU A 45 14.110 -8.355 13.401 1.00 0.49 H new ATOM 0 HB3 LEU A 45 13.178 -8.056 14.855 1.00 0.49 H new ATOM 0 HG LEU A 45 16.135 -7.740 15.072 1.00 0.82 H new ATOM 0 HD11 LEU A 45 16.042 -5.471 14.131 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.682 -6.710 12.905 1.00 0.39 H new ATOM 0 HD13 LEU A 45 14.361 -5.756 13.620 1.00 0.39 H new ATOM 0 HD21 LEU A 45 15.461 -5.855 16.497 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.757 -6.154 16.081 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.677 -7.373 16.995 1.00 1.88 H new ATOM 695 N ASN A 46 14.515 -11.767 13.616 1.00 0.49 N ATOM 696 CA ASN A 46 13.974 -12.836 12.750 1.00 0.54 C ATOM 697 C ASN A 46 13.091 -12.257 11.647 1.00 0.51 C ATOM 698 O ASN A 46 11.999 -12.749 11.366 1.00 0.60 O ATOM 699 CB ASN A 46 13.237 -13.937 13.557 1.00 0.62 C ATOM 700 CG ASN A 46 12.032 -13.450 14.350 1.00 1.22 C ATOM 701 OD1 ASN A 46 10.933 -13.308 13.817 1.00 2.01 O ATOM 702 ND2 ASN A 46 12.225 -13.229 15.641 1.00 1.90 N ATOM 0 H ASN A 46 15.516 -11.853 13.792 1.00 0.49 H new ATOM 0 HA ASN A 46 14.826 -13.322 12.275 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.910 -14.715 12.868 1.00 0.62 H new ATOM 0 HB3 ASN A 46 13.945 -14.398 14.246 1.00 0.62 H new ATOM 0 HD21 ASN A 46 11.447 -12.930 16.229 1.00 1.90 H new ATOM 0 HD22 ASN A 46 13.152 -13.358 16.047 1.00 1.90 H new ATOM 709 N TYR A 47 13.611 -11.216 11.012 1.00 0.42 N ATOM 710 CA TYR A 47 12.927 -10.512 9.936 1.00 0.39 C ATOM 711 C TYR A 47 12.448 -11.461 8.842 1.00 0.49 C ATOM 712 O TYR A 47 13.223 -12.243 8.283 1.00 0.58 O ATOM 713 CB TYR A 47 13.862 -9.456 9.357 1.00 0.27 C ATOM 714 CG TYR A 47 13.471 -8.936 7.992 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.203 -8.424 7.755 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.384 -8.946 6.947 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.854 -7.938 6.516 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.042 -8.463 5.703 1.00 1.08 C ATOM 719 CZ TYR A 47 12.775 -7.960 5.492 1.00 0.23 C ATOM 720 OH TYR A 47 12.432 -7.469 4.257 1.00 0.24 O ATOM 0 H TYR A 47 14.530 -10.832 11.232 1.00 0.42 H new ATOM 0 HA TYR A 47 12.039 -10.035 10.350 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.910 -8.616 10.049 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.866 -9.876 9.295 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.479 -8.407 8.556 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.377 -9.338 7.111 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.864 -7.542 6.347 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.762 -8.478 4.898 1.00 1.08 H new ATOM 0 HH TYR A 47 13.194 -7.557 3.647 1.00 0.24 H new ATOM 730 N ILE A 48 11.165 -11.361 8.538 1.00 0.56 N ATOM 731 CA ILE A 48 10.547 -12.191 7.522 1.00 0.66 C ATOM 732 C ILE A 48 10.328 -11.394 6.239 1.00 0.52 C ATOM 733 O ILE A 48 9.493 -10.488 6.200 1.00 0.55 O ATOM 734 CB ILE A 48 9.186 -12.748 7.996 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.298 -13.373 9.389 1.00 1.16 C ATOM 736 CG2 ILE A 48 8.657 -13.773 7.006 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.808 -12.467 10.502 1.00 1.01 C ATOM 0 H ILE A 48 10.526 -10.705 8.987 1.00 0.56 H new ATOM 0 HA ILE A 48 11.225 -13.023 7.333 1.00 0.66 H new ATOM 0 HB ILE A 48 8.486 -11.914 8.052 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.726 -14.301 9.409 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.339 -13.636 9.578 1.00 1.16 H new ATOM 0 HG21 ILE A 48 7.698 -14.155 7.355 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.527 -13.304 6.031 1.00 0.98 H new ATOM 0 HG23 ILE A 48 9.366 -14.596 6.921 1.00 0.98 H new ATOM 0 HD11 ILE A 48 8.917 -12.976 11.460 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.396 -11.549 10.509 1.00 1.01 H new ATOM 0 HD13 ILE A 48 7.758 -12.224 10.338 1.00 1.01 H new ATOM 749 N PRO A 49 11.090 -11.699 5.179 1.00 0.44 N ATOM 750 CA PRO A 49 10.955 -11.020 3.891 1.00 0.35 C ATOM 751 C PRO A 49 9.614 -11.345 3.240 1.00 0.39 C ATOM 752 O PRO A 49 9.401 -12.462 2.761 1.00 0.49 O ATOM 753 CB PRO A 49 12.118 -11.577 3.049 1.00 0.40 C ATOM 754 CG PRO A 49 13.018 -12.263 4.024 1.00 0.51 C ATOM 755 CD PRO A 49 12.138 -12.724 5.148 1.00 0.55 C ATOM 0 HA PRO A 49 10.988 -9.935 3.988 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.757 -12.272 2.291 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.642 -10.778 2.525 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.528 -13.106 3.557 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.790 -11.584 4.386 1.00 0.51 H new ATOM 0 HD2 PRO A 49 11.728 -13.716 4.960 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.681 -12.777 6.092 1.00 0.55 H new ATOM 763 N ASN A 50 8.707 -10.376 3.250 1.00 0.40 N ATOM 764 CA ASN A 50 7.380 -10.560 2.676 1.00 0.45 C ATOM 765 C ASN A 50 7.440 -10.683 1.161 1.00 0.49 C ATOM 766 O ASN A 50 7.634 -9.695 0.453 1.00 0.54 O ATOM 767 CB ASN A 50 6.459 -9.404 3.064 1.00 0.45 C ATOM 768 CG ASN A 50 6.234 -9.326 4.556 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.448 -10.089 5.121 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.908 -8.389 5.204 1.00 0.46 N ATOM 0 H ASN A 50 8.867 -9.452 3.651 1.00 0.40 H new ATOM 0 HA ASN A 50 6.978 -11.489 3.079 1.00 0.45 H new ATOM 0 HB2 ASN A 50 6.890 -8.466 2.714 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.500 -9.522 2.560 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.787 -8.277 6.211 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.549 -7.779 4.697 1.00 0.46 H new ATOM 777 N ARG A 51 7.255 -11.905 0.679 1.00 0.51 N ATOM 778 CA ARG A 51 7.278 -12.184 -0.754 1.00 0.57 C ATOM 779 C ARG A 51 6.012 -11.656 -1.425 1.00 0.56 C ATOM 780 O ARG A 51 6.000 -11.385 -2.624 1.00 0.59 O ATOM 781 CB ARG A 51 7.426 -13.688 -1.013 1.00 0.63 C ATOM 782 CG ARG A 51 6.308 -14.522 -0.425 1.00 1.42 C ATOM 783 CD ARG A 51 6.483 -15.992 -0.751 1.00 2.25 C ATOM 784 NE ARG A 51 5.398 -16.803 -0.197 1.00 3.08 N ATOM 785 CZ ARG A 51 5.293 -18.126 -0.358 1.00 4.17 C ATOM 786 NH1 ARG A 51 6.204 -18.788 -1.065 1.00 4.66 N ATOM 787 NH2 ARG A 51 4.273 -18.783 0.190 1.00 5.04 N ATOM 0 H ARG A 51 7.086 -12.725 1.262 1.00 0.51 H new ATOM 0 HA ARG A 51 8.140 -11.673 -1.184 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.468 -13.860 -2.089 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.376 -14.027 -0.599 1.00 0.63 H new ATOM 0 HG2 ARG A 51 6.283 -14.388 0.656 1.00 1.42 H new ATOM 0 HG3 ARG A 51 5.350 -14.174 -0.812 1.00 1.42 H new ATOM 0 HD2 ARG A 51 6.519 -16.123 -1.832 1.00 2.25 H new ATOM 0 HD3 ARG A 51 7.437 -16.341 -0.355 1.00 2.25 H new ATOM 0 HE ARG A 51 4.676 -16.329 0.346 1.00 3.08 H new ATOM 0 HH11 ARG A 51 6.986 -18.286 -1.486 1.00 4.66 H new ATOM 0 HH12 ARG A 51 6.121 -19.797 -1.186 1.00 4.66 H new ATOM 0 HH21 ARG A 51 3.573 -18.277 0.732 1.00 5.04 H new ATOM 0 HH22 ARG A 51 4.192 -19.792 0.068 1.00 5.04 H new ATOM 801 N CYS A 52 4.952 -11.490 -0.640 1.00 0.55 N ATOM 802 CA CYS A 52 3.688 -10.994 -1.160 1.00 0.55 C ATOM 803 C CYS A 52 3.802 -9.516 -1.487 1.00 0.52 C ATOM 804 O CYS A 52 3.301 -9.046 -2.511 1.00 0.57 O ATOM 805 CB CYS A 52 2.568 -11.247 -0.153 1.00 0.56 C ATOM 806 SG CYS A 52 1.388 -12.525 -0.687 1.00 0.83 S ATOM 0 H CYS A 52 4.946 -11.693 0.360 1.00 0.55 H new ATOM 0 HA CYS A 52 3.446 -11.529 -2.078 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.007 -11.544 0.800 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.029 -10.316 0.021 1.00 0.56 H new ATOM 811 N ALA A 53 4.482 -8.790 -0.612 1.00 0.45 N ATOM 812 CA ALA A 53 4.700 -7.373 -0.808 1.00 0.43 C ATOM 813 C ALA A 53 5.642 -7.168 -1.981 1.00 0.43 C ATOM 814 O ALA A 53 5.543 -6.182 -2.713 1.00 0.44 O ATOM 815 CB ALA A 53 5.252 -6.755 0.450 1.00 0.41 C ATOM 0 H ALA A 53 4.892 -9.165 0.243 1.00 0.45 H new ATOM 0 HA ALA A 53 3.753 -6.882 -1.032 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.412 -5.689 0.291 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.544 -6.898 1.267 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.199 -7.231 0.704 1.00 0.41 H new ATOM 821 N GLN A 54 6.538 -8.137 -2.160 1.00 0.45 N ATOM 822 CA GLN A 54 7.508 -8.109 -3.245 1.00 0.48 C ATOM 823 C GLN A 54 6.798 -8.264 -4.583 1.00 0.51 C ATOM 824 O GLN A 54 7.136 -7.593 -5.556 1.00 0.55 O ATOM 825 CB GLN A 54 8.550 -9.217 -3.053 1.00 0.50 C ATOM 826 CG GLN A 54 9.374 -9.505 -4.297 1.00 0.74 C ATOM 827 CD GLN A 54 10.454 -10.532 -4.045 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.212 -11.735 -4.124 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.660 -10.063 -3.755 1.00 1.07 N ATOM 0 H GLN A 54 6.609 -8.958 -1.559 1.00 0.45 H new ATOM 0 HA GLN A 54 8.024 -7.149 -3.236 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.221 -8.936 -2.241 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.042 -10.131 -2.745 1.00 0.50 H new ATOM 0 HG2 GLN A 54 8.717 -9.859 -5.091 1.00 0.74 H new ATOM 0 HG3 GLN A 54 9.830 -8.580 -4.650 1.00 0.74 H new ATOM 0 HE21 GLN A 54 11.816 -9.057 -3.700 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.432 -10.709 -3.587 1.00 1.07 H new ATOM 838 N GLN A 55 5.804 -9.146 -4.620 1.00 0.52 N ATOM 839 CA GLN A 55 5.030 -9.366 -5.833 1.00 0.57 C ATOM 840 C GLN A 55 4.298 -8.087 -6.219 1.00 0.58 C ATOM 841 O GLN A 55 4.243 -7.714 -7.388 1.00 0.74 O ATOM 842 CB GLN A 55 4.014 -10.491 -5.639 1.00 0.62 C ATOM 843 CG GLN A 55 4.637 -11.860 -5.441 1.00 0.65 C ATOM 844 CD GLN A 55 3.606 -12.971 -5.441 1.00 1.22 C ATOM 845 OE1 GLN A 55 2.449 -12.773 -5.061 1.00 1.83 O ATOM 846 NE2 GLN A 55 4.020 -14.153 -5.868 1.00 2.01 N ATOM 0 H GLN A 55 5.517 -9.718 -3.825 1.00 0.52 H new ATOM 0 HA GLN A 55 5.719 -9.652 -6.627 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.391 -10.259 -4.775 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.356 -10.525 -6.507 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.364 -12.043 -6.232 1.00 0.65 H new ATOM 0 HG3 GLN A 55 5.183 -11.875 -4.497 1.00 0.65 H new ATOM 0 HE21 GLN A 55 4.985 -14.275 -6.174 1.00 2.01 H new ATOM 0 HE22 GLN A 55 3.374 -14.942 -5.891 1.00 2.01 H new ATOM 855 N LEU A 56 3.745 -7.420 -5.214 1.00 0.51 N ATOM 856 CA LEU A 56 3.012 -6.180 -5.411 1.00 0.50 C ATOM 857 C LEU A 56 3.948 -5.060 -5.852 1.00 0.47 C ATOM 858 O LEU A 56 3.709 -4.394 -6.863 1.00 0.48 O ATOM 859 CB LEU A 56 2.325 -5.781 -4.110 1.00 0.49 C ATOM 860 CG LEU A 56 1.180 -4.791 -4.263 1.00 0.49 C ATOM 861 CD1 LEU A 56 -0.021 -5.485 -4.874 1.00 0.51 C ATOM 862 CD2 LEU A 56 0.825 -4.189 -2.924 1.00 0.48 C ATOM 0 H LEU A 56 3.793 -7.724 -4.242 1.00 0.51 H new ATOM 0 HA LEU A 56 2.268 -6.340 -6.191 1.00 0.50 H new ATOM 0 HB2 LEU A 56 1.945 -6.681 -3.627 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.070 -5.351 -3.441 1.00 0.49 H new ATOM 0 HG LEU A 56 1.492 -3.984 -4.926 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.838 -4.771 -4.981 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.247 -5.880 -5.854 1.00 0.51 H new ATOM 0 HD13 LEU A 56 -0.337 -6.303 -4.227 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.004 -3.483 -3.049 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.522 -4.980 -2.238 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.692 -3.669 -2.517 1.00 0.48 H new ATOM 874 N ALA A 57 5.017 -4.868 -5.087 1.00 0.45 N ATOM 875 CA ALA A 57 5.998 -3.830 -5.375 1.00 0.44 C ATOM 876 C ALA A 57 6.701 -4.103 -6.698 1.00 0.46 C ATOM 877 O ALA A 57 7.179 -3.183 -7.366 1.00 0.49 O ATOM 878 CB ALA A 57 7.005 -3.727 -4.239 1.00 0.44 C ATOM 0 H ALA A 57 5.226 -5.423 -4.257 1.00 0.45 H new ATOM 0 HA ALA A 57 5.477 -2.877 -5.462 1.00 0.44 H new ATOM 0 HB1 ALA A 57 7.732 -2.948 -4.467 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.485 -3.479 -3.314 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.520 -4.681 -4.122 1.00 0.44 H new ATOM 884 N GLY A 58 6.756 -5.374 -7.074 1.00 0.53 N ATOM 885 CA GLY A 58 7.378 -5.761 -8.322 1.00 0.61 C ATOM 886 C GLY A 58 6.423 -5.637 -9.494 1.00 0.94 C ATOM 887 O GLY A 58 6.634 -6.254 -10.538 1.00 1.14 O ATOM 0 H GLY A 58 6.377 -6.149 -6.530 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.254 -5.137 -8.500 1.00 0.61 H new ATOM 0 HA3 GLY A 58 7.730 -6.790 -8.248 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.010 -13.664 -6.956 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.886 -12.555 -7.298 1.00 0.66 C ATOM 1019 C VAL B 4 -9.712 -11.418 -6.310 1.00 0.59 C ATOM 1020 O VAL B 4 -9.565 -11.649 -5.114 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.360 -13.002 -7.313 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.276 -11.873 -7.751 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.528 -14.200 -8.224 1.00 0.73 C ATOM 0 HA VAL B 4 -9.613 -12.210 -8.295 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.640 -13.282 -6.297 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.309 -12.222 -7.751 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.176 -11.035 -7.061 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.002 -11.551 -8.756 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.573 -14.510 -8.229 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.224 -13.933 -9.236 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.908 -15.021 -7.864 1.00 0.73 H new ATOM 1033 N THR B 5 -9.741 -10.200 -6.812 1.00 0.50 N ATOM 1034 CA THR B 5 -9.573 -9.033 -5.976 1.00 0.45 C ATOM 1035 C THR B 5 -10.929 -8.477 -5.573 1.00 0.40 C ATOM 1036 O THR B 5 -11.963 -8.904 -6.095 1.00 0.39 O ATOM 1037 CB THR B 5 -8.764 -7.952 -6.716 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.581 -7.331 -7.712 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.536 -8.565 -7.383 1.00 0.48 C ATOM 0 H THR B 5 -9.880 -9.994 -7.801 1.00 0.50 H new ATOM 0 HA THR B 5 -9.028 -9.327 -5.079 1.00 0.45 H new ATOM 0 HB THR B 5 -8.439 -7.207 -5.990 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.729 -7.958 -8.451 1.00 0.39 H new ATOM 0 HG21 THR B 5 -6.977 -7.786 -7.901 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.902 -9.024 -6.625 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.852 -9.323 -8.100 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.931 -7.517 -4.655 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.170 -6.913 -4.206 1.00 0.36 C ATOM 1049 C LEU B 6 -12.597 -5.891 -5.250 1.00 0.32 C ATOM 1050 O LEU B 6 -13.693 -5.333 -5.213 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.938 -6.309 -2.817 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.921 -5.264 -2.322 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -13.232 -5.514 -0.862 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.336 -3.881 -2.509 1.00 0.50 C ATOM 0 H LEU B 6 -10.091 -7.145 -4.212 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.979 -7.637 -4.107 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.927 -7.126 -2.095 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.944 -5.863 -2.809 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.845 -5.331 -2.896 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.938 -4.763 -0.507 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.669 -6.506 -0.748 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.313 -5.453 -0.279 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -13.046 -3.134 -2.152 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.408 -3.799 -1.943 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -12.133 -3.712 -3.566 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.706 -5.704 -6.217 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.920 -4.797 -7.321 1.00 0.32 C ATOM 1068 C TYR B 7 -12.767 -5.475 -8.396 1.00 0.32 C ATOM 1069 O TYR B 7 -13.658 -4.858 -8.984 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.567 -4.376 -7.890 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.935 -3.218 -7.156 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.349 -3.360 -5.888 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -9.932 -1.957 -7.736 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.792 -2.277 -5.255 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.367 -0.875 -7.097 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.797 -1.041 -5.858 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.224 0.033 -5.216 1.00 0.49 O ATOM 0 H TYR B 7 -10.808 -6.186 -6.250 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.453 -3.912 -6.974 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.888 -5.228 -7.859 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.692 -4.106 -8.939 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.336 -4.327 -5.408 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.382 -1.821 -8.708 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.347 -2.396 -4.278 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.372 0.097 -7.567 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.865 0.413 -4.579 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.491 -6.760 -8.636 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.233 -7.540 -9.633 1.00 0.35 C ATOM 1089 C ASP B 8 -14.687 -7.680 -9.218 1.00 0.31 C ATOM 1090 O ASP B 8 -15.596 -7.615 -10.046 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.626 -8.935 -9.801 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.184 -8.898 -10.248 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -10.932 -8.678 -11.452 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.292 -9.089 -9.396 1.00 1.31 O ATOM 0 H ASP B 8 -11.760 -7.283 -8.154 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.171 -7.008 -10.583 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.694 -9.472 -8.855 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.213 -9.496 -10.529 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.889 -7.875 -7.923 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.219 -8.023 -7.352 1.00 0.25 C ATOM 1101 C VAL B 9 -17.061 -6.780 -7.636 1.00 0.25 C ATOM 1102 O VAL B 9 -18.250 -6.871 -7.950 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.121 -8.255 -5.825 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.481 -8.534 -5.212 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.160 -9.394 -5.519 1.00 0.28 C ATOM 0 H VAL B 9 -14.135 -7.935 -7.239 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.700 -8.886 -7.812 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.737 -7.338 -5.378 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.371 -8.692 -4.139 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.141 -7.684 -5.388 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.909 -9.427 -5.668 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.104 -9.543 -4.441 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.517 -10.308 -5.993 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.170 -9.148 -5.903 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.412 -5.626 -7.557 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.064 -4.343 -7.783 1.00 0.28 C ATOM 1117 C ALA B 10 -17.409 -4.114 -9.248 1.00 0.33 C ATOM 1118 O ALA B 10 -18.561 -3.826 -9.581 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.171 -3.225 -7.297 1.00 0.31 C ATOM 0 H ALA B 10 -15.419 -5.553 -7.335 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.999 -4.354 -7.224 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.662 -2.267 -7.468 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.979 -3.350 -6.231 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.227 -3.251 -7.841 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.411 -4.246 -10.119 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.600 -4.028 -11.556 1.00 0.44 C ATOM 1127 C GLU B 11 -17.675 -4.954 -12.127 1.00 0.47 C ATOM 1128 O GLU B 11 -18.384 -4.592 -13.065 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.275 -4.208 -12.311 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.271 -3.537 -13.681 1.00 1.27 C ATOM 1131 CD GLU B 11 -13.906 -3.506 -14.343 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.128 -2.563 -14.077 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.613 -4.412 -15.152 1.00 2.34 O ATOM 0 H GLU B 11 -15.460 -4.504 -9.856 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.940 -3.001 -11.692 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.463 -3.799 -11.710 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.075 -5.273 -12.434 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -15.969 -4.061 -14.334 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -15.637 -2.516 -13.576 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.798 -6.139 -11.550 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.794 -7.105 -11.992 1.00 0.49 C ATOM 1142 C TYR B 12 -20.184 -6.718 -11.494 1.00 0.49 C ATOM 1143 O TYR B 12 -21.144 -6.693 -12.263 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.441 -8.494 -11.475 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.274 -9.593 -12.079 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.062 -10.009 -13.384 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.272 -10.217 -11.341 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -19.818 -11.018 -13.942 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.033 -11.226 -11.890 1.00 1.18 C ATOM 1150 CZ TYR B 12 -20.802 -11.624 -13.190 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.554 -12.635 -13.742 1.00 0.94 O ATOM 0 H TYR B 12 -17.219 -6.456 -10.772 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.800 -7.111 -13.082 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.389 -8.692 -11.681 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.563 -8.511 -10.392 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.292 -9.535 -13.974 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.454 -9.907 -10.323 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -19.641 -11.331 -14.960 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -21.806 -11.703 -11.305 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.203 -12.957 -13.082 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.281 -6.414 -10.203 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.552 -6.038 -9.595 1.00 0.48 C ATOM 1163 C ALA B 13 -22.059 -4.691 -10.114 1.00 0.52 C ATOM 1164 O ALA B 13 -23.259 -4.419 -10.088 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.424 -6.012 -8.080 1.00 0.43 C ATOM 0 H ALA B 13 -19.492 -6.421 -9.557 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.287 -6.791 -9.878 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.380 -5.730 -7.639 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.137 -7.001 -7.722 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.663 -5.287 -7.792 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.141 -3.851 -10.575 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.515 -2.551 -11.096 1.00 0.55 C ATOM 1173 C GLY B 14 -21.428 -1.464 -10.048 1.00 0.52 C ATOM 1174 O GLY B 14 -21.810 -0.319 -10.292 1.00 0.59 O ATOM 0 H GLY B 14 -20.140 -4.048 -10.597 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.865 -2.297 -11.934 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.532 -2.597 -11.484 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.915 -1.818 -8.879 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.782 -0.878 -7.776 1.00 0.46 C ATOM 1180 C VAL B 15 -19.340 -0.424 -7.648 1.00 0.43 C ATOM 1181 O VAL B 15 -18.462 -0.962 -8.319 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.212 -1.518 -6.439 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.680 -1.909 -6.479 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.341 -2.727 -6.108 1.00 0.36 C ATOM 0 H VAL B 15 -20.581 -2.759 -8.669 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.430 -0.028 -7.991 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.076 -0.778 -5.651 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.963 -2.358 -5.527 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.288 -1.022 -6.657 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.843 -2.628 -7.282 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.664 -3.160 -5.161 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.436 -3.471 -6.899 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.300 -2.414 -6.027 1.00 0.36 H new ATOM 1194 N SER B 16 -19.087 0.574 -6.814 1.00 0.45 N ATOM 1195 CA SER B 16 -17.730 1.029 -6.597 1.00 0.46 C ATOM 1196 C SER B 16 -17.007 -0.018 -5.762 1.00 0.41 C ATOM 1197 O SER B 16 -17.632 -0.689 -4.936 1.00 0.39 O ATOM 1198 CB SER B 16 -17.734 2.384 -5.891 1.00 0.50 C ATOM 1199 OG SER B 16 -18.871 2.516 -5.052 1.00 0.64 O ATOM 0 H SER B 16 -19.798 1.077 -6.283 1.00 0.45 H new ATOM 0 HA SER B 16 -17.216 1.157 -7.549 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.826 2.492 -5.298 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.729 3.184 -6.631 1.00 0.50 H new ATOM 0 HG SER B 16 -18.851 3.390 -4.609 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.701 -0.167 -5.969 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.929 -1.161 -5.231 1.00 0.41 C ATOM 1207 C TYR B 17 -14.975 -0.868 -3.734 1.00 0.41 C ATOM 1208 O TYR B 17 -14.806 -1.762 -2.903 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.486 -1.228 -5.755 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.492 -0.475 -4.915 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.316 0.887 -5.076 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.742 -1.135 -3.956 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.416 1.578 -4.300 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.837 -0.463 -3.172 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.678 0.906 -3.351 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.790 1.608 -2.587 1.00 1.42 O ATOM 0 H TYR B 17 -15.160 0.383 -6.636 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.378 -2.142 -5.389 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.180 -2.273 -5.812 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.461 -0.832 -6.770 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.893 1.415 -5.821 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.871 -2.199 -3.822 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -11.288 2.642 -4.434 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -10.258 -0.990 -2.428 1.00 1.43 H new ATOM 0 HH TYR B 17 -9.344 1.000 -1.961 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.239 0.391 -3.403 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.336 0.816 -2.016 1.00 0.44 C ATOM 1228 C GLN B 18 -16.586 0.239 -1.373 1.00 0.38 C ATOM 1229 O GLN B 18 -16.634 0.023 -0.167 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.361 2.330 -1.936 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.757 2.874 -0.660 1.00 0.97 C ATOM 1232 CD GLN B 18 -14.210 4.265 -0.851 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -14.196 5.069 0.074 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.776 4.566 -2.066 1.00 0.87 N ATOM 0 H GLN B 18 -15.390 1.137 -4.082 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.464 0.447 -1.476 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -14.821 2.741 -2.789 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.392 2.674 -2.017 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.513 2.885 0.125 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.959 2.212 -0.324 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.806 3.865 -2.807 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.412 5.499 -2.261 1.00 0.87 H new ATOM 1243 N THR B 19 -17.600 -0.005 -2.188 1.00 0.39 N ATOM 1244 CA THR B 19 -18.833 -0.591 -1.700 1.00 0.38 C ATOM 1245 C THR B 19 -18.553 -2.021 -1.265 1.00 0.34 C ATOM 1246 O THR B 19 -19.147 -2.526 -0.317 1.00 0.36 O ATOM 1247 CB THR B 19 -19.938 -0.533 -2.774 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.304 0.836 -2.982 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.170 -1.332 -2.374 1.00 0.45 C ATOM 0 H THR B 19 -17.591 0.194 -3.188 1.00 0.39 H new ATOM 0 HA THR B 19 -19.197 -0.021 -0.845 1.00 0.38 H new ATOM 0 HB THR B 19 -19.546 -0.975 -3.690 1.00 0.41 H new ATOM 0 HG1 THR B 19 -19.739 1.223 -3.683 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.921 -1.262 -3.161 1.00 0.45 H new ATOM 0 HG22 THR B 19 -20.895 -2.376 -2.228 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.578 -0.931 -1.446 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.599 -2.648 -1.945 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.192 -4.004 -1.611 1.00 0.33 C ATOM 1259 C VAL B 20 -16.365 -3.984 -0.326 1.00 0.36 C ATOM 1260 O VAL B 20 -16.594 -4.791 0.573 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.388 -4.663 -2.749 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.191 -6.147 -2.480 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.081 -4.454 -4.083 1.00 0.44 C ATOM 0 H VAL B 20 -17.094 -2.237 -2.730 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.093 -4.600 -1.465 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.407 -4.189 -2.791 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.621 -6.592 -3.296 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.648 -6.278 -1.544 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.163 -6.636 -2.407 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.498 -4.926 -4.874 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.076 -4.899 -4.050 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.168 -3.386 -4.285 1.00 0.44 H new ATOM 1273 N SER B 21 -15.405 -3.048 -0.236 1.00 0.39 N ATOM 1274 CA SER B 21 -14.585 -2.902 0.949 1.00 0.45 C ATOM 1275 C SER B 21 -15.470 -2.624 2.169 1.00 0.45 C ATOM 1276 O SER B 21 -15.159 -3.035 3.290 1.00 0.52 O ATOM 1277 CB SER B 21 -13.588 -1.771 0.727 1.00 0.50 C ATOM 1278 OG SER B 21 -14.149 -0.512 1.039 1.00 1.29 O ATOM 0 H SER B 21 -15.188 -2.385 -0.980 1.00 0.39 H new ATOM 0 HA SER B 21 -14.036 -3.825 1.137 1.00 0.45 H new ATOM 0 HB2 SER B 21 -12.704 -1.939 1.343 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.258 -1.775 -0.312 1.00 0.50 H new ATOM 0 HG SER B 21 -15.007 -0.413 0.577 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.579 -1.925 1.926 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.536 -1.594 2.971 1.00 0.51 C ATOM 1286 C ARG B 22 -18.341 -2.829 3.356 1.00 0.54 C ATOM 1287 O ARG B 22 -18.461 -3.152 4.528 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.464 -0.460 2.520 1.00 0.59 C ATOM 1289 CG ARG B 22 -17.831 0.920 2.633 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.785 2.016 2.198 1.00 1.03 C ATOM 1291 NE ARG B 22 -19.071 1.968 0.764 1.00 1.46 N ATOM 1292 CZ ARG B 22 -18.854 2.987 -0.073 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -18.313 4.117 0.374 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -19.155 2.870 -1.357 1.00 2.66 N ATOM 0 H ARG B 22 -16.834 -1.576 1.002 1.00 0.44 H new ATOM 0 HA ARG B 22 -16.987 -1.250 3.847 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -18.760 -0.632 1.485 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.374 -0.485 3.120 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -17.523 1.095 3.664 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -16.930 0.958 2.020 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.717 1.925 2.755 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -18.358 2.987 2.448 1.00 1.03 H new ATOM 0 HE ARG B 22 -19.459 1.106 0.380 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.062 4.208 1.359 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -18.149 4.893 -0.268 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -19.554 2.000 -1.710 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -18.988 3.650 -1.993 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.852 -3.547 2.365 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.625 -4.756 2.631 1.00 0.58 C ATOM 1310 C VAL B 23 -18.784 -5.741 3.439 1.00 0.62 C ATOM 1311 O VAL B 23 -19.281 -6.438 4.324 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.100 -5.421 1.315 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.533 -6.861 1.540 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.243 -4.630 0.696 1.00 0.55 C ATOM 0 H VAL B 23 -18.747 -3.317 1.377 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.508 -4.475 3.205 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.253 -5.423 0.629 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.860 -7.295 0.595 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.694 -7.436 1.932 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.356 -6.886 2.254 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.562 -5.114 -0.227 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -22.079 -4.593 1.394 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.907 -3.616 0.477 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.498 -5.759 3.140 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.558 -6.625 3.820 1.00 0.69 C ATOM 1326 C VAL B 24 -16.280 -6.146 5.256 1.00 0.76 C ATOM 1327 O VAL B 24 -16.091 -6.958 6.161 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.236 -6.707 3.016 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -14.105 -7.281 3.851 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.439 -7.527 1.746 1.00 0.66 C ATOM 0 H VAL B 24 -17.078 -5.173 2.419 1.00 0.59 H new ATOM 0 HA VAL B 24 -17.004 -7.618 3.884 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.952 -5.692 2.738 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.195 -7.322 3.252 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.938 -6.647 4.722 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.369 -8.286 4.179 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.502 -7.576 1.191 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.757 -8.535 2.011 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.203 -7.056 1.127 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.288 -4.829 5.474 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.999 -4.277 6.801 1.00 0.79 C ATOM 1342 C ASN B 25 -17.089 -3.330 7.301 1.00 1.20 C ATOM 1343 O ASN B 25 -17.860 -3.669 8.201 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.663 -3.525 6.781 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.516 -4.374 6.277 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.862 -5.079 7.043 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.257 -4.305 4.979 1.00 1.07 N ATOM 0 H ASN B 25 -16.489 -4.131 4.758 1.00 0.72 H new ATOM 0 HA ASN B 25 -15.954 -5.125 7.484 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -14.759 -2.641 6.150 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.434 -3.175 7.787 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.491 -4.849 4.582 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.824 -3.708 4.377 1.00 1.07 H new ATOM 1392 N HIS B 29 -24.122 2.220 5.984 1.00 0.98 N ATOM 1393 CA HIS B 29 -24.374 2.890 4.714 1.00 0.93 C ATOM 1394 C HIS B 29 -24.397 1.887 3.561 1.00 0.85 C ATOM 1395 O HIS B 29 -24.035 2.223 2.433 1.00 1.08 O ATOM 1396 CB HIS B 29 -23.352 3.986 4.381 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.545 4.557 5.513 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.250 4.971 5.335 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -22.856 4.847 6.803 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.794 5.487 6.451 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -21.745 5.429 7.365 1.00 1.31 N ATOM 0 HA HIS B 29 -25.348 3.365 4.832 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.657 3.584 3.644 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.885 4.807 3.902 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -23.799 4.656 7.294 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.804 5.893 6.598 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -21.668 5.760 8.327 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.804 0.660 3.841 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.870 -0.363 2.808 1.00 0.78 C ATOM 1412 C VAL B 30 -26.245 -1.005 2.791 1.00 0.81 C ATOM 1413 O VAL B 30 -26.600 -1.760 3.698 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.796 -1.460 2.996 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.848 -2.453 1.847 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.407 -0.854 3.105 1.00 1.22 C ATOM 0 H VAL B 30 -25.092 0.348 4.768 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.677 0.135 1.858 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.010 -1.985 3.927 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -23.086 -3.219 1.993 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.832 -2.921 1.815 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.663 -1.932 0.907 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.673 -1.649 3.237 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.180 -0.297 2.196 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.370 -0.181 3.961 1.00 1.22 H new ATOM 1426 N SER B 31 -27.023 -0.695 1.766 1.00 0.82 N ATOM 1427 CA SER B 31 -28.361 -1.247 1.633 1.00 0.88 C ATOM 1428 C SER B 31 -28.306 -2.736 1.290 1.00 0.94 C ATOM 1429 O SER B 31 -27.269 -3.241 0.860 1.00 1.42 O ATOM 1430 CB SER B 31 -29.135 -0.481 0.565 1.00 0.90 C ATOM 1431 OG SER B 31 -28.315 -0.188 -0.554 1.00 0.83 O ATOM 0 H SER B 31 -26.750 -0.063 1.013 1.00 0.82 H new ATOM 0 HA SER B 31 -28.876 -1.142 2.588 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.995 -1.069 0.244 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.522 0.446 0.988 1.00 0.90 H new ATOM 0 HG SER B 31 -27.659 -0.906 -0.676 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.425 -3.425 1.472 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.510 -4.854 1.195 1.00 0.92 C ATOM 1439 C ALA B 32 -29.247 -5.156 -0.279 1.00 0.86 C ATOM 1440 O ALA B 32 -28.588 -6.143 -0.608 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.872 -5.385 1.610 1.00 1.07 C ATOM 0 H ALA B 32 -30.294 -3.013 1.813 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.738 -5.356 1.777 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.926 -6.453 1.399 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.018 -5.218 2.677 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.651 -4.865 1.052 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.750 -4.293 -1.159 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.575 -4.464 -2.602 1.00 0.87 C ATOM 1449 C LYS B 33 -28.098 -4.516 -2.984 1.00 0.79 C ATOM 1450 O LYS B 33 -27.651 -5.466 -3.634 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.263 -3.328 -3.361 1.00 0.95 C ATOM 1452 CG LYS B 33 -31.765 -3.500 -3.491 1.00 1.51 C ATOM 1453 CD LYS B 33 -32.119 -4.761 -4.268 1.00 1.82 C ATOM 1454 CE LYS B 33 -33.625 -4.969 -4.333 1.00 2.55 C ATOM 1455 NZ LYS B 33 -34.211 -5.229 -2.991 1.00 3.30 N ATOM 0 H LYS B 33 -30.284 -3.464 -0.898 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.033 -5.414 -2.878 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -30.057 -2.386 -2.852 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.828 -3.253 -4.357 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -32.214 -3.545 -2.499 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -32.189 -2.631 -3.994 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -31.716 -4.693 -5.278 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.651 -5.625 -3.796 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -34.094 -4.087 -4.768 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -33.847 -5.807 -4.994 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -35.184 -5.580 -3.099 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -33.639 -5.942 -2.495 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -34.220 -4.347 -2.439 1.00 3.30 H new ATOM 1469 N THR B 34 -27.342 -3.502 -2.575 1.00 0.68 N ATOM 1470 CA THR B 34 -25.918 -3.443 -2.874 1.00 0.61 C ATOM 1471 C THR B 34 -25.156 -4.526 -2.121 1.00 0.57 C ATOM 1472 O THR B 34 -24.191 -5.087 -2.639 1.00 0.54 O ATOM 1473 CB THR B 34 -25.330 -2.069 -2.512 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.245 -1.356 -1.673 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.035 -1.258 -3.763 1.00 0.73 C ATOM 0 H THR B 34 -27.693 -2.711 -2.036 1.00 0.68 H new ATOM 0 HA THR B 34 -25.809 -3.606 -3.946 1.00 0.61 H new ATOM 0 HB THR B 34 -24.393 -2.225 -1.977 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.866 -0.482 -1.444 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.620 -0.291 -3.480 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.316 -1.794 -4.383 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.957 -1.107 -4.325 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.600 -4.824 -0.902 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.961 -5.848 -0.082 1.00 0.61 C ATOM 1485 C ARG B 35 -25.007 -7.193 -0.792 1.00 0.60 C ATOM 1486 O ARG B 35 -23.985 -7.856 -0.956 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.647 -5.938 1.284 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.797 -6.593 2.364 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.507 -6.585 3.709 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.891 -5.235 4.125 1.00 1.71 N ATOM 1491 CZ ARG B 35 -25.935 -4.833 5.398 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.618 -5.667 6.381 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -26.299 -3.590 5.687 1.00 3.21 N ATOM 0 H ARG B 35 -26.400 -4.370 -0.461 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.918 -5.574 0.073 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.918 -4.934 1.609 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.575 -6.500 1.176 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.569 -7.620 2.077 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.846 -6.067 2.450 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -26.397 -7.212 3.652 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -24.855 -7.024 4.464 1.00 1.00 H new ATOM 0 HE ARG B 35 -26.140 -4.562 3.400 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.338 -6.624 6.167 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -25.655 -5.351 7.350 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -26.545 -2.943 4.938 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -26.333 -3.281 6.659 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.201 -7.577 -1.229 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.396 -8.836 -1.939 1.00 0.67 C ATOM 1509 C GLU B 36 -25.714 -8.797 -3.299 1.00 0.62 C ATOM 1510 O GLU B 36 -25.213 -9.811 -3.780 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.888 -9.135 -2.120 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.621 -9.403 -0.817 1.00 0.84 C ATOM 1513 CD GLU B 36 -30.042 -9.877 -1.041 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.246 -11.101 -1.209 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -30.961 -9.032 -1.060 1.00 2.09 O ATOM 0 H GLU B 36 -27.053 -7.031 -1.103 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.948 -9.629 -1.339 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.360 -8.292 -2.625 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.999 -10.000 -2.773 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.076 -10.154 -0.245 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.635 -8.493 -0.217 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.697 -7.618 -3.905 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.072 -7.426 -5.209 1.00 0.56 C ATOM 1524 C LYS B 37 -23.592 -7.771 -5.134 1.00 0.48 C ATOM 1525 O LYS B 37 -23.053 -8.468 -5.997 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.249 -5.970 -5.661 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.984 -5.736 -7.139 1.00 1.00 C ATOM 1528 CD LYS B 37 -26.178 -6.142 -7.989 1.00 1.13 C ATOM 1529 CE LYS B 37 -27.423 -5.334 -7.643 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.335 -3.926 -8.108 1.00 1.66 N ATOM 0 H LYS B 37 -26.112 -6.773 -3.512 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.551 -8.085 -5.933 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.266 -5.652 -5.432 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.578 -5.337 -5.079 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -24.757 -4.683 -7.307 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -24.106 -6.304 -7.447 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.937 -6.004 -9.043 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.382 -7.203 -7.845 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -28.296 -5.808 -8.092 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.573 -5.348 -6.563 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.206 -3.420 -7.848 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.518 -3.463 -7.660 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.219 -3.908 -9.141 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.949 -7.294 -4.077 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.534 -7.538 -3.862 1.00 0.37 C ATOM 1546 C VAL B 38 -21.285 -8.983 -3.434 1.00 0.39 C ATOM 1547 O VAL B 38 -20.404 -9.657 -3.972 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.975 -6.578 -2.796 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.538 -6.929 -2.452 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.078 -5.137 -3.273 1.00 0.38 C ATOM 0 H VAL B 38 -23.392 -6.731 -3.351 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.020 -7.361 -4.807 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.573 -6.685 -1.891 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.165 -6.237 -1.697 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.495 -7.947 -2.064 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.921 -6.856 -3.348 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.679 -4.471 -2.508 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.506 -5.017 -4.193 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.123 -4.889 -3.460 1.00 0.38 H new ATOM 1560 N GLU B 39 -22.077 -9.460 -2.473 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.939 -10.824 -1.970 1.00 0.50 C ATOM 1562 C GLU B 39 -22.168 -11.852 -3.075 1.00 0.53 C ATOM 1563 O GLU B 39 -21.518 -12.899 -3.099 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.894 -11.077 -0.803 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.531 -10.292 0.448 1.00 0.63 C ATOM 1566 CD GLU B 39 -23.135 -10.881 1.702 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -24.286 -11.367 1.644 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -22.454 -10.877 2.749 1.00 1.76 O ATOM 0 H GLU B 39 -22.820 -8.921 -2.029 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.916 -10.936 -1.611 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.907 -10.815 -1.108 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.897 -12.141 -0.568 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.446 -10.262 0.551 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.869 -9.262 0.336 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.093 -11.561 -3.985 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.367 -12.463 -5.092 1.00 0.61 C ATOM 1577 C ALA B 40 -22.148 -12.545 -5.998 1.00 0.53 C ATOM 1578 O ALA B 40 -21.755 -13.627 -6.435 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.588 -12.005 -5.877 1.00 0.70 C ATOM 0 H ALA B 40 -23.660 -10.713 -3.976 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.581 -13.454 -4.692 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.772 -12.696 -6.700 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.457 -11.984 -5.219 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.411 -11.006 -6.275 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.528 -11.392 -6.234 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.346 -11.315 -7.082 1.00 0.43 C ATOM 1587 C ALA B 41 -19.185 -12.073 -6.446 1.00 0.38 C ATOM 1588 O ALA B 41 -18.350 -12.646 -7.143 1.00 0.39 O ATOM 1589 CB ALA B 41 -19.971 -9.862 -7.339 1.00 0.42 C ATOM 0 H ALA B 41 -21.827 -10.497 -5.848 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.572 -11.782 -8.040 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.086 -9.821 -7.974 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.798 -9.355 -7.836 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.760 -9.367 -6.391 1.00 0.42 H new ATOM 1595 N MET B 42 -19.158 -12.091 -5.112 1.00 0.38 N ATOM 1596 CA MET B 42 -18.118 -12.800 -4.367 1.00 0.40 C ATOM 1597 C MET B 42 -18.146 -14.293 -4.701 1.00 0.45 C ATOM 1598 O MET B 42 -17.140 -14.990 -4.558 1.00 0.52 O ATOM 1599 CB MET B 42 -18.302 -12.622 -2.854 1.00 0.44 C ATOM 1600 CG MET B 42 -18.025 -11.217 -2.343 1.00 0.41 C ATOM 1601 SD MET B 42 -18.301 -11.065 -0.568 1.00 0.51 S ATOM 1602 CE MET B 42 -17.886 -9.345 -0.322 1.00 0.46 C ATOM 0 H MET B 42 -19.847 -11.621 -4.525 1.00 0.38 H new ATOM 0 HA MET B 42 -17.157 -12.376 -4.659 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.324 -12.895 -2.591 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.643 -13.319 -2.337 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.994 -10.947 -2.572 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.665 -10.509 -2.870 1.00 0.41 H new ATOM 0 HE1 MET B 42 -17.130 -9.261 0.459 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.497 -8.928 -1.251 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.778 -8.795 -0.023 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.305 -14.770 -5.151 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.482 -16.168 -5.511 1.00 0.53 C ATOM 1614 C ALA B 43 -19.329 -16.363 -7.022 1.00 0.55 C ATOM 1615 O ALA B 43 -18.913 -17.425 -7.482 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.844 -16.663 -5.041 1.00 0.61 C ATOM 0 H ALA B 43 -20.141 -14.199 -5.274 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.708 -16.754 -5.015 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.965 -17.711 -5.316 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.914 -16.562 -3.958 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.629 -16.071 -5.512 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.668 -15.326 -7.788 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.570 -15.381 -9.241 1.00 0.58 C ATOM 1624 C GLU B 44 -18.113 -15.379 -9.674 1.00 0.59 C ATOM 1625 O GLU B 44 -17.672 -16.246 -10.432 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.305 -14.198 -9.872 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.780 -14.148 -9.522 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.535 -15.357 -10.035 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -22.997 -15.322 -11.195 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -22.661 -16.349 -9.285 1.00 1.55 O ATOM 0 H GLU B 44 -20.013 -14.438 -7.423 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.037 -16.305 -9.582 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.831 -13.271 -9.549 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.198 -14.250 -10.956 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.892 -14.085 -8.440 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.220 -13.243 -9.941 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.365 -14.409 -9.177 1.00 0.52 N ATOM 1638 CA LEU B 45 -15.950 -14.299 -9.507 1.00 0.55 C ATOM 1639 C LEU B 45 -15.139 -15.268 -8.659 1.00 0.55 C ATOM 1640 O LEU B 45 -14.019 -15.624 -9.015 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.416 -12.879 -9.250 1.00 0.51 C ATOM 1642 CG LEU B 45 -15.968 -11.753 -10.131 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.395 -12.262 -11.497 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.118 -11.048 -9.436 1.00 0.99 C ATOM 0 H LEU B 45 -17.710 -13.687 -8.545 1.00 0.52 H new ATOM 0 HA LEU B 45 -15.848 -14.534 -10.567 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.620 -12.625 -8.210 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.332 -12.899 -9.367 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.163 -11.035 -10.289 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -16.780 -11.433 -12.090 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.538 -12.704 -12.005 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.174 -13.015 -11.378 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.497 -10.252 -10.077 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.916 -11.763 -9.236 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.768 -10.622 -8.496 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.738 -15.704 -7.546 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.074 -16.586 -6.585 1.00 0.59 C ATOM 1658 C ASN B 46 -13.983 -15.777 -5.911 1.00 0.54 C ATOM 1659 O ASN B 46 -12.800 -16.105 -5.965 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.506 -17.852 -7.242 1.00 0.71 C ATOM 1661 CG ASN B 46 -14.093 -18.906 -6.229 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -12.940 -18.961 -5.799 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -15.029 -19.760 -5.849 1.00 1.40 N ATOM 0 H ASN B 46 -16.693 -15.456 -7.288 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.800 -16.942 -5.854 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -15.253 -18.274 -7.914 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.644 -17.584 -7.852 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -14.806 -20.495 -5.178 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -15.973 -19.683 -6.227 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.426 -14.686 -5.299 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.556 -13.732 -4.618 1.00 0.46 C ATOM 1672 C TYR B 47 -12.631 -14.398 -3.601 1.00 0.52 C ATOM 1673 O TYR B 47 -13.078 -15.058 -2.662 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.417 -12.651 -3.942 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.649 -11.641 -3.117 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.345 -11.286 -3.437 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -14.242 -11.036 -2.019 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.652 -10.367 -2.680 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.556 -10.112 -1.257 1.00 1.21 C ATOM 1680 CZ TYR B 47 -12.259 -9.782 -1.591 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.568 -8.866 -0.835 1.00 0.51 O ATOM 0 H TYR B 47 -15.414 -14.434 -5.260 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.909 -13.277 -5.369 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.975 -12.119 -4.712 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -15.149 -13.141 -3.299 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.866 -11.738 -4.293 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -15.258 -11.292 -1.756 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.637 -10.106 -2.940 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -14.032 -9.650 -0.404 1.00 1.21 H new ATOM 0 HH TYR B 47 -12.139 -8.547 -0.105 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.333 -14.210 -3.818 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.297 -14.729 -2.937 1.00 0.64 C ATOM 1693 C ILE B 48 -9.447 -13.561 -2.443 1.00 0.59 C ATOM 1694 O ILE B 48 -8.530 -13.135 -3.142 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.366 -15.734 -3.655 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.172 -16.768 -4.440 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.452 -16.418 -2.645 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.914 -17.761 -3.571 1.00 1.28 C ATOM 0 H ILE B 48 -10.970 -13.689 -4.616 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.789 -15.249 -2.115 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.751 -15.182 -4.366 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.890 -16.248 -5.074 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.498 -17.312 -5.102 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.801 -17.123 -3.162 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.844 -15.668 -2.138 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -9.056 -16.952 -1.911 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.461 -18.460 -4.203 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.201 -18.310 -2.955 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.615 -17.229 -2.928 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.753 -13.035 -1.243 1.00 0.62 N ATOM 1711 CA PRO B 49 -9.051 -11.889 -0.638 1.00 0.64 C ATOM 1712 C PRO B 49 -7.552 -11.848 -0.943 1.00 0.60 C ATOM 1713 O PRO B 49 -6.827 -12.807 -0.666 1.00 0.66 O ATOM 1714 CB PRO B 49 -9.299 -12.112 0.848 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.670 -12.701 0.897 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.813 -13.543 -0.352 1.00 0.72 C ATOM 0 HA PRO B 49 -9.412 -10.937 -1.026 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.559 -12.785 1.280 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -9.245 -11.178 1.407 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.801 -13.308 1.793 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.429 -11.919 0.928 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.680 -14.603 -0.137 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.800 -13.430 -0.800 1.00 0.72 H new ATOM 1724 N ASN B 50 -7.115 -10.730 -1.533 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.712 -10.513 -1.908 1.00 0.58 C ATOM 1726 C ASN B 50 -4.788 -10.685 -0.708 1.00 0.60 C ATOM 1727 O ASN B 50 -4.596 -9.750 0.059 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.508 -9.094 -2.474 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.371 -8.761 -3.682 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.531 -9.161 -3.774 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.798 -8.010 -4.617 1.00 0.68 N ATOM 0 H ASN B 50 -7.726 -9.947 -1.765 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.468 -11.255 -2.668 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.715 -8.370 -1.686 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.460 -8.975 -2.749 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.323 -7.744 -5.450 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.833 -7.699 -4.501 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.190 -11.862 -0.568 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.300 -12.143 0.558 1.00 0.84 C ATOM 1740 C ARG B 51 -2.129 -11.167 0.612 1.00 0.76 C ATOM 1741 O ARG B 51 -1.745 -10.706 1.684 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.779 -13.581 0.478 1.00 1.06 C ATOM 1743 CG ARG B 51 -1.538 -13.835 1.330 1.00 1.68 C ATOM 1744 CD ARG B 51 -1.346 -15.311 1.643 1.00 2.18 C ATOM 1745 NE ARG B 51 -1.137 -16.119 0.445 1.00 2.97 N ATOM 1746 CZ ARG B 51 -2.049 -16.947 -0.059 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.244 -17.053 0.513 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -1.764 -17.668 -1.133 1.00 4.76 N ATOM 0 H ARG B 51 -4.304 -12.639 -1.219 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.880 -12.019 1.472 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.570 -14.262 0.792 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.549 -13.817 -0.561 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -0.658 -13.459 0.808 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -1.619 -13.276 2.262 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -0.491 -15.429 2.309 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -2.220 -15.681 2.178 1.00 2.18 H new ATOM 0 HE ARG B 51 -0.239 -16.045 -0.034 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -3.464 -16.499 1.341 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.941 -17.688 0.124 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -0.847 -17.588 -1.572 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -2.462 -18.303 -1.521 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.587 -10.842 -0.547 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.445 -9.945 -0.626 1.00 0.62 C ATOM 1764 C CYS B 52 -0.818 -8.491 -0.361 1.00 0.58 C ATOM 1765 O CYS B 52 -0.298 -7.866 0.560 1.00 0.61 O ATOM 1766 CB CYS B 52 0.209 -10.072 -1.999 1.00 0.66 C ATOM 1767 SG CYS B 52 0.671 -11.781 -2.431 1.00 0.70 S ATOM 0 H CYS B 52 -1.918 -11.185 -1.449 1.00 0.66 H new ATOM 0 HA CYS B 52 0.255 -10.240 0.156 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.475 -9.687 -2.755 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.100 -9.445 -2.027 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.728 -7.965 -1.162 1.00 0.54 N ATOM 1773 CA ALA B 53 -2.139 -6.571 -1.048 1.00 0.52 C ATOM 1774 C ALA B 53 -2.901 -6.264 0.243 1.00 0.51 C ATOM 1775 O ALA B 53 -2.709 -5.199 0.824 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.953 -6.180 -2.260 1.00 0.53 C ATOM 0 H ALA B 53 -2.200 -8.483 -1.903 1.00 0.54 H new ATOM 0 HA ALA B 53 -1.229 -5.972 -1.004 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -3.259 -5.137 -2.172 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -2.350 -6.307 -3.159 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.838 -6.813 -2.324 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.749 -7.181 0.703 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.518 -6.939 1.926 1.00 0.53 C ATOM 1784 C GLN B 54 -3.621 -6.941 3.157 1.00 0.58 C ATOM 1785 O GLN B 54 -3.664 -6.008 3.951 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.644 -7.958 2.097 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.806 -7.748 1.143 1.00 0.48 C ATOM 1788 CD GLN B 54 -8.077 -8.414 1.627 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -8.036 -9.414 2.343 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -9.215 -7.865 1.238 1.00 0.64 N ATOM 0 H GLN B 54 -3.921 -8.083 0.259 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.965 -5.950 1.825 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.241 -8.960 1.950 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -6.013 -7.910 3.121 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.983 -6.680 1.020 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.543 -8.143 0.162 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.204 -7.036 0.644 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -10.104 -8.271 1.532 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.804 -7.987 3.313 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.896 -8.080 4.458 1.00 0.62 C ATOM 1801 C GLN B 55 -1.005 -6.842 4.515 1.00 0.60 C ATOM 1802 O GLN B 55 -0.674 -6.339 5.588 1.00 0.66 O ATOM 1803 CB GLN B 55 -1.036 -9.339 4.360 1.00 0.65 C ATOM 1804 CG GLN B 55 -0.364 -9.713 5.669 1.00 1.19 C ATOM 1805 CD GLN B 55 0.677 -10.806 5.506 1.00 1.78 C ATOM 1806 OE1 GLN B 55 0.362 -11.994 5.558 1.00 2.38 O ATOM 1807 NE2 GLN B 55 1.924 -10.413 5.312 1.00 2.52 N ATOM 0 H GLN B 55 -2.753 -8.774 2.667 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.490 -8.137 5.370 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.658 -10.170 4.029 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.272 -9.190 3.597 1.00 0.65 H new ATOM 0 HG2 GLN B 55 0.109 -8.828 6.095 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.122 -10.043 6.380 1.00 1.19 H new ATOM 0 HE21 GLN B 55 2.145 -9.418 5.275 1.00 2.52 H new ATOM 0 HE22 GLN B 55 2.665 -11.105 5.199 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.623 -6.378 3.336 1.00 0.54 N ATOM 1817 CA LEU B 56 0.195 -5.194 3.186 1.00 0.53 C ATOM 1818 C LEU B 56 -0.568 -3.953 3.606 1.00 0.55 C ATOM 1819 O LEU B 56 -0.166 -3.260 4.533 1.00 0.58 O ATOM 1820 CB LEU B 56 0.609 -5.066 1.728 1.00 0.48 C ATOM 1821 CG LEU B 56 1.873 -4.266 1.489 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.031 -4.896 2.226 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.169 -4.196 0.015 1.00 0.46 C ATOM 0 H LEU B 56 -0.876 -6.819 2.452 1.00 0.54 H new ATOM 0 HA LEU B 56 1.074 -5.287 3.824 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.746 -6.066 1.316 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.207 -4.602 1.174 1.00 0.48 H new ATOM 0 HG LEU B 56 1.728 -3.253 1.865 1.00 0.46 H new ATOM 0 HD11 LEU B 56 3.935 -4.314 2.048 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.816 -4.915 3.294 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.179 -5.915 1.868 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.079 -3.619 -0.146 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.304 -5.204 -0.377 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.338 -3.714 -0.501 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.701 -3.725 2.953 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.532 -2.548 3.191 1.00 0.59 C ATOM 1837 C ALA B 57 -3.279 -2.570 4.537 1.00 0.68 C ATOM 1838 O ALA B 57 -4.392 -2.052 4.638 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.509 -2.407 2.033 1.00 0.55 C ATOM 0 H ALA B 57 -2.072 -4.353 2.240 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.869 -1.684 3.250 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -4.139 -1.532 2.193 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.955 -2.290 1.102 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -4.134 -3.298 1.974 1.00 0.55 H new