USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=26 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 47 TYR OH : rot 180:sc= -2.16! USER MOD Set 1.2: B 54 GLN : amide:sc= 0 K(o=-2.2,f=-4.1!) USER MOD Set 2.1: B 31 SER OG : rot 51:sc= 1.17 USER MOD Set 2.2: B 34 THR OG1 : rot 46:sc= 1.35 USER MOD Set 3.1: B 16 SER OG : rot 180:sc= 0.381 USER MOD Set 3.2: B 19 THR OG1 : rot 91:sc= 1.09 USER MOD Set 4.1: B 7 TYR OH : rot -80:sc= 1.19 USER MOD Set 4.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 31 SER OG : rot 33:sc= 0.469 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.58 USER MOD Set 6.1: A 28 SER OG : rot 180:sc= 0.144 USER MOD Set 6.2: A 29 HIS :FLIP no HD1:sc= -0.425 F(o=-1,f=-0.28) USER MOD Set 7.1: A 16 SER OG : rot 82:sc= 0.574 USER MOD Set 7.2: A 19 THR OG1 : rot -160:sc= 0.492 USER MOD Single : A 5 THR OG1 : rot -60:sc= 0.733 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= 1.05 K(o=1.1,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.949 K(o=0.95,f=-3.9!) 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 159:sc= -2.97! (180deg=-3.73!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 120:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0225 K(o=-0.023,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 5 THR OG1 : rot -85:sc= 0.0122! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.016) USER MOD Single : B 29 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.063) USER MOD Single : B 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0337) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -167:sc= 0 (180deg=-0.249) USER MOD Single : B 46 ASN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : B 50 ASN : amide:sc= -1.95 K(o=-2,f=-3.3!) USER MOD Single : B 55 GLN :FLIP amide:sc= -0.778 F(o=-2,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.045 -10.546 11.486 1.00 0.87 N ATOM 43 CA PRO A 3 6.255 -10.653 10.668 1.00 0.67 C ATOM 44 C PRO A 3 7.066 -9.361 10.682 1.00 0.57 C ATOM 45 O PRO A 3 6.518 -8.266 10.543 1.00 0.62 O ATOM 46 CB PRO A 3 5.733 -10.942 9.253 1.00 0.89 C ATOM 47 CG PRO A 3 4.301 -11.319 9.421 1.00 1.30 C ATOM 48 CD PRO A 3 3.829 -10.608 10.654 1.00 1.15 C ATOM 0 HA PRO A 3 6.926 -11.427 11.042 1.00 0.67 H new ATOM 0 HB2 PRO A 3 5.835 -10.067 8.612 1.00 0.89 H new ATOM 0 HB3 PRO A 3 6.298 -11.748 8.784 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.715 -11.023 8.551 1.00 1.30 H new ATOM 0 HG3 PRO A 3 4.191 -12.398 9.527 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.445 -9.614 10.425 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.027 -11.152 11.152 1.00 1.15 H new ATOM 56 N VAL A 4 8.370 -9.496 10.860 1.00 0.48 N ATOM 57 CA VAL A 4 9.262 -8.350 10.884 1.00 0.41 C ATOM 58 C VAL A 4 9.424 -7.808 9.476 1.00 0.36 C ATOM 59 O VAL A 4 9.590 -8.573 8.524 1.00 0.37 O ATOM 60 CB VAL A 4 10.631 -8.733 11.480 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.621 -7.576 11.393 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.462 -9.184 12.921 1.00 0.54 C ATOM 0 H VAL A 4 8.836 -10.394 10.991 1.00 0.48 H new ATOM 0 HA VAL A 4 8.829 -7.576 11.518 1.00 0.41 H new ATOM 0 HB VAL A 4 11.038 -9.557 10.894 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.575 -7.881 11.822 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.765 -7.298 10.349 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.231 -6.721 11.946 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.434 -9.453 13.335 1.00 0.54 H new ATOM 0 HG22 VAL A 4 10.030 -8.373 13.508 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.801 -10.050 12.956 1.00 0.54 H new ATOM 72 N THR A 5 9.356 -6.500 9.344 1.00 0.33 N ATOM 73 CA THR A 5 9.461 -5.866 8.050 1.00 0.31 C ATOM 74 C THR A 5 10.820 -5.207 7.886 1.00 0.26 C ATOM 75 O THR A 5 11.621 -5.176 8.822 1.00 0.26 O ATOM 76 CB THR A 5 8.332 -4.828 7.852 1.00 0.36 C ATOM 77 OG1 THR A 5 8.820 -3.506 8.119 1.00 0.37 O ATOM 78 CG2 THR A 5 7.156 -5.126 8.775 1.00 0.41 C ATOM 0 H THR A 5 9.228 -5.854 10.122 1.00 0.33 H new ATOM 0 HA THR A 5 9.355 -6.637 7.287 1.00 0.31 H new ATOM 0 HB THR A 5 7.996 -4.890 6.817 1.00 0.36 H new ATOM 0 HG1 THR A 5 9.140 -3.456 9.044 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.374 -4.383 8.619 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.763 -6.119 8.555 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.489 -5.089 9.812 1.00 0.41 H new ATOM 86 N LEU A 6 11.087 -4.691 6.695 1.00 0.24 N ATOM 87 CA LEU A 6 12.353 -4.032 6.423 1.00 0.20 C ATOM 88 C LEU A 6 12.489 -2.764 7.263 1.00 0.21 C ATOM 89 O LEU A 6 13.592 -2.255 7.460 1.00 0.20 O ATOM 90 CB LEU A 6 12.496 -3.729 4.928 1.00 0.21 C ATOM 91 CG LEU A 6 11.759 -2.490 4.392 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.045 -2.315 2.911 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.260 -2.590 4.618 1.00 0.29 C ATOM 0 H LEU A 6 10.444 -4.717 5.904 1.00 0.24 H new ATOM 0 HA LEU A 6 13.162 -4.707 6.703 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.557 -3.614 4.706 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.146 -4.598 4.371 1.00 0.21 H new ATOM 0 HG LEU A 6 12.125 -1.622 4.941 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.519 -1.435 2.540 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.117 -2.187 2.760 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.705 -3.197 2.368 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.773 -1.697 4.227 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.872 -3.470 4.104 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.058 -2.675 5.686 1.00 0.29 H new ATOM 105 N TYR A 7 11.364 -2.281 7.784 1.00 0.25 N ATOM 106 CA TYR A 7 11.363 -1.087 8.617 1.00 0.28 C ATOM 107 C TYR A 7 11.909 -1.417 9.997 1.00 0.28 C ATOM 108 O TYR A 7 12.646 -0.626 10.586 1.00 0.30 O ATOM 109 CB TYR A 7 9.953 -0.511 8.762 1.00 0.34 C ATOM 110 CG TYR A 7 9.352 0.016 7.481 1.00 0.36 C ATOM 111 CD1 TYR A 7 9.873 1.141 6.855 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.256 -0.610 6.900 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.319 1.620 5.687 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.701 -0.134 5.732 1.00 0.44 C ATOM 115 CZ TYR A 7 8.237 0.978 5.133 1.00 0.44 C ATOM 116 OH TYR A 7 7.687 1.452 3.972 1.00 0.49 O ATOM 0 H TYR A 7 10.444 -2.699 7.643 1.00 0.25 H new ATOM 0 HA TYR A 7 11.995 -0.343 8.133 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.299 -1.285 9.163 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.978 0.296 9.494 1.00 0.34 H new ATOM 0 HD1 TYR A 7 10.723 1.647 7.289 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.832 -1.484 7.372 1.00 0.41 H new ATOM 0 HE1 TYR A 7 9.733 2.496 5.209 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.850 -0.633 5.291 1.00 0.44 H new ATOM 0 HH TYR A 7 6.931 0.885 3.713 1.00 0.49 H new ATOM 126 N ASP A 8 11.556 -2.600 10.503 1.00 0.28 N ATOM 127 CA ASP A 8 12.015 -3.027 11.820 1.00 0.29 C ATOM 128 C ASP A 8 13.516 -3.247 11.796 1.00 0.24 C ATOM 129 O ASP A 8 14.224 -2.911 12.746 1.00 0.25 O ATOM 130 CB ASP A 8 11.314 -4.313 12.258 1.00 0.35 C ATOM 131 CG ASP A 8 9.806 -4.182 12.324 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.305 -3.341 13.104 1.00 1.51 O ATOM 133 OD2 ASP A 8 9.111 -4.927 11.600 1.00 1.75 O ATOM 0 H ASP A 8 10.958 -3.273 10.023 1.00 0.28 H new ATOM 0 HA ASP A 8 11.770 -2.242 12.536 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.572 -5.113 11.564 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.689 -4.607 13.238 1.00 0.35 H new ATOM 138 N VAL A 9 13.994 -3.804 10.689 1.00 0.21 N ATOM 139 CA VAL A 9 15.413 -4.072 10.512 1.00 0.19 C ATOM 140 C VAL A 9 16.169 -2.764 10.379 1.00 0.18 C ATOM 141 O VAL A 9 17.219 -2.568 10.988 1.00 0.20 O ATOM 142 CB VAL A 9 15.664 -4.923 9.255 1.00 0.19 C ATOM 143 CG1 VAL A 9 17.114 -5.375 9.182 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.724 -6.111 9.228 1.00 0.22 C ATOM 0 H VAL A 9 13.414 -4.080 9.897 1.00 0.21 H new ATOM 0 HA VAL A 9 15.763 -4.622 11.385 1.00 0.19 H new ATOM 0 HB VAL A 9 15.466 -4.306 8.378 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.263 -5.975 8.284 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.766 -4.502 9.148 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.353 -5.973 10.061 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.913 -6.704 8.333 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.889 -6.726 10.113 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.693 -5.759 9.219 1.00 0.22 H new ATOM 154 N ALA A 10 15.606 -1.869 9.576 1.00 0.19 N ATOM 155 CA ALA A 10 16.191 -0.557 9.346 1.00 0.22 C ATOM 156 C ALA A 10 16.296 0.224 10.647 1.00 0.26 C ATOM 157 O ALA A 10 17.297 0.882 10.910 1.00 0.30 O ATOM 158 CB ALA A 10 15.367 0.221 8.333 1.00 0.26 C ATOM 0 H ALA A 10 14.736 -2.032 9.069 1.00 0.19 H new ATOM 0 HA ALA A 10 17.196 -0.699 8.948 1.00 0.22 H new ATOM 0 HB1 ALA A 10 15.818 1.200 8.172 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.339 -0.325 7.390 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.352 0.347 8.709 1.00 0.26 H new ATOM 164 N GLU A 11 15.265 0.126 11.468 1.00 0.29 N ATOM 165 CA GLU A 11 15.234 0.834 12.740 1.00 0.35 C ATOM 166 C GLU A 11 16.214 0.236 13.745 1.00 0.37 C ATOM 167 O GLU A 11 16.783 0.953 14.569 1.00 0.46 O ATOM 168 CB GLU A 11 13.822 0.812 13.322 1.00 0.37 C ATOM 169 CG GLU A 11 13.371 2.168 13.843 1.00 0.94 C ATOM 170 CD GLU A 11 13.261 3.200 12.741 1.00 1.51 C ATOM 171 OE1 GLU A 11 14.286 3.832 12.404 1.00 2.21 O ATOM 172 OE2 GLU A 11 12.151 3.374 12.193 1.00 2.14 O ATOM 0 H GLU A 11 14.436 -0.437 11.278 1.00 0.29 H new ATOM 0 HA GLU A 11 15.535 1.864 12.548 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.125 0.473 12.556 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.781 0.086 14.134 1.00 0.37 H new ATOM 0 HG2 GLU A 11 12.405 2.062 14.336 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.077 2.518 14.596 1.00 0.94 H new ATOM 179 N TYR A 12 16.414 -1.075 13.672 1.00 0.32 N ATOM 180 CA TYR A 12 17.318 -1.762 14.588 1.00 0.38 C ATOM 181 C TYR A 12 18.778 -1.560 14.189 1.00 0.38 C ATOM 182 O TYR A 12 19.653 -1.448 15.048 1.00 0.45 O ATOM 183 CB TYR A 12 16.995 -3.258 14.633 1.00 0.39 C ATOM 184 CG TYR A 12 17.612 -3.987 15.809 1.00 0.47 C ATOM 185 CD1 TYR A 12 16.946 -4.073 17.028 1.00 1.38 C ATOM 186 CD2 TYR A 12 18.857 -4.592 15.701 1.00 1.10 C ATOM 187 CE1 TYR A 12 17.505 -4.739 18.103 1.00 1.49 C ATOM 188 CE2 TYR A 12 19.421 -5.261 16.769 1.00 1.07 C ATOM 189 CZ TYR A 12 18.739 -5.331 17.968 1.00 0.69 C ATOM 190 OH TYR A 12 19.298 -5.998 19.037 1.00 0.82 O ATOM 0 H TYR A 12 15.963 -1.683 12.989 1.00 0.32 H new ATOM 0 HA TYR A 12 17.173 -1.331 15.579 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.913 -3.385 14.667 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.341 -3.722 13.709 1.00 0.39 H new ATOM 0 HD1 TYR A 12 15.976 -3.611 17.136 1.00 1.38 H new ATOM 0 HD2 TYR A 12 19.394 -4.538 14.765 1.00 1.10 H new ATOM 0 HE1 TYR A 12 16.976 -4.794 19.043 1.00 1.49 H new ATOM 0 HE2 TYR A 12 20.390 -5.727 16.667 1.00 1.07 H new ATOM 0 HH TYR A 12 20.171 -6.360 18.777 1.00 0.82 H new ATOM 200 N ALA A 13 19.036 -1.515 12.887 1.00 0.33 N ATOM 201 CA ALA A 13 20.389 -1.341 12.391 1.00 0.36 C ATOM 202 C ALA A 13 20.762 0.138 12.297 1.00 0.39 C ATOM 203 O ALA A 13 21.940 0.489 12.222 1.00 0.46 O ATOM 204 CB ALA A 13 20.543 -2.013 11.038 1.00 0.33 C ATOM 0 H ALA A 13 18.325 -1.597 12.160 1.00 0.33 H new ATOM 0 HA ALA A 13 21.070 -1.812 13.100 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.562 -1.875 10.677 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.333 -3.078 11.135 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.844 -1.569 10.329 1.00 0.33 H new ATOM 210 N GLY A 14 19.756 1.003 12.302 1.00 0.38 N ATOM 211 CA GLY A 14 20.005 2.427 12.209 1.00 0.43 C ATOM 212 C GLY A 14 20.202 2.860 10.772 1.00 0.43 C ATOM 213 O GLY A 14 21.015 3.740 10.477 1.00 0.52 O ATOM 0 H GLY A 14 18.772 0.743 12.369 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.168 2.973 12.644 1.00 0.43 H new ATOM 0 HA3 GLY A 14 20.890 2.682 12.792 1.00 0.43 H new ATOM 217 N VAL A 15 19.448 2.239 9.879 1.00 0.35 N ATOM 218 CA VAL A 15 19.528 2.525 8.459 1.00 0.35 C ATOM 219 C VAL A 15 18.141 2.799 7.903 1.00 0.34 C ATOM 220 O VAL A 15 17.166 2.859 8.650 1.00 0.36 O ATOM 221 CB VAL A 15 20.151 1.343 7.678 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.603 1.138 8.076 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.352 0.063 7.901 1.00 0.28 C ATOM 0 H VAL A 15 18.763 1.522 10.120 1.00 0.35 H new ATOM 0 HA VAL A 15 20.164 3.402 8.337 1.00 0.35 H new ATOM 0 HB VAL A 15 20.117 1.588 6.616 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.020 0.302 7.514 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.171 2.042 7.857 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.661 0.923 9.143 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.809 -0.753 7.342 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.347 -0.182 8.963 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.328 0.209 7.558 1.00 0.28 H new ATOM 233 N SER A 16 18.058 2.969 6.598 1.00 0.35 N ATOM 234 CA SER A 16 16.781 3.210 5.945 1.00 0.35 C ATOM 235 C SER A 16 16.217 1.897 5.421 1.00 0.32 C ATOM 236 O SER A 16 16.968 0.948 5.189 1.00 0.32 O ATOM 237 CB SER A 16 16.965 4.203 4.801 1.00 0.40 C ATOM 238 OG SER A 16 18.279 4.725 4.808 1.00 1.26 O ATOM 0 H SER A 16 18.859 2.945 5.967 1.00 0.35 H new ATOM 0 HA SER A 16 16.080 3.632 6.665 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.767 3.711 3.849 1.00 0.40 H new ATOM 0 HB3 SER A 16 16.244 5.015 4.896 1.00 0.40 H new ATOM 0 HG SER A 16 18.884 4.095 4.364 1.00 1.26 H new ATOM 244 N TYR A 17 14.898 1.827 5.259 1.00 0.32 N ATOM 245 CA TYR A 17 14.262 0.614 4.753 1.00 0.30 C ATOM 246 C TYR A 17 14.801 0.258 3.371 1.00 0.31 C ATOM 247 O TYR A 17 14.927 -0.920 3.026 1.00 0.30 O ATOM 248 CB TYR A 17 12.732 0.745 4.735 1.00 0.33 C ATOM 249 CG TYR A 17 12.180 1.913 3.938 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.138 3.191 4.479 1.00 1.27 C ATOM 251 CD2 TYR A 17 11.669 1.728 2.657 1.00 1.14 C ATOM 252 CE1 TYR A 17 11.610 4.250 3.767 1.00 1.32 C ATOM 253 CE2 TYR A 17 11.134 2.782 1.941 1.00 1.16 C ATOM 254 CZ TYR A 17 11.108 4.041 2.499 1.00 0.54 C ATOM 255 OH TYR A 17 10.569 5.094 1.795 1.00 0.65 O ATOM 0 H TYR A 17 14.253 2.589 5.469 1.00 0.32 H new ATOM 0 HA TYR A 17 14.509 -0.200 5.434 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.312 -0.177 4.332 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.381 0.833 5.763 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.525 3.360 5.473 1.00 1.27 H new ATOM 0 HD2 TYR A 17 11.691 0.743 2.214 1.00 1.14 H new ATOM 0 HE1 TYR A 17 11.590 5.239 4.201 1.00 1.32 H new ATOM 0 HE2 TYR A 17 10.738 2.619 0.949 1.00 1.16 H new ATOM 0 HH TYR A 17 10.262 4.779 0.919 1.00 0.65 H new ATOM 265 N GLN A 18 15.129 1.278 2.585 1.00 0.35 N ATOM 266 CA GLN A 18 15.688 1.058 1.261 1.00 0.37 C ATOM 267 C GLN A 18 17.051 0.393 1.395 1.00 0.33 C ATOM 268 O GLN A 18 17.418 -0.463 0.592 1.00 0.34 O ATOM 269 CB GLN A 18 15.813 2.377 0.491 1.00 0.46 C ATOM 270 CG GLN A 18 16.712 2.288 -0.740 1.00 0.77 C ATOM 271 CD GLN A 18 16.089 1.507 -1.886 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.487 2.080 -2.785 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.225 0.190 -1.858 1.00 1.09 N ATOM 0 H GLN A 18 15.017 2.259 2.842 1.00 0.35 H new ATOM 0 HA GLN A 18 15.018 0.407 0.700 1.00 0.37 H new ATOM 0 HB2 GLN A 18 14.820 2.702 0.181 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.204 3.143 1.161 1.00 0.46 H new ATOM 0 HG2 GLN A 18 16.948 3.296 -1.082 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.655 1.818 -0.459 1.00 0.77 H new ATOM 0 HE21 GLN A 18 16.733 -0.254 -1.093 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.822 -0.380 -2.601 1.00 1.09 H new ATOM 282 N THR A 19 17.780 0.774 2.440 1.00 0.33 N ATOM 283 CA THR A 19 19.101 0.222 2.707 1.00 0.34 C ATOM 284 C THR A 19 18.990 -1.272 2.984 1.00 0.29 C ATOM 285 O THR A 19 19.790 -2.073 2.501 1.00 0.31 O ATOM 286 CB THR A 19 19.755 0.925 3.913 1.00 0.39 C ATOM 287 OG1 THR A 19 19.649 2.348 3.771 1.00 0.49 O ATOM 288 CG2 THR A 19 21.217 0.528 4.055 1.00 0.45 C ATOM 0 H THR A 19 17.473 1.469 3.120 1.00 0.33 H new ATOM 0 HA THR A 19 19.726 0.386 1.829 1.00 0.34 H new ATOM 0 HB THR A 19 19.227 0.610 4.813 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.316 2.784 4.342 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.651 1.040 4.914 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.289 -0.550 4.200 1.00 0.45 H new ATOM 0 HG23 THR A 19 21.760 0.809 3.153 1.00 0.45 H new ATOM 296 N VAL A 20 17.982 -1.631 3.767 1.00 0.25 N ATOM 297 CA VAL A 20 17.717 -3.021 4.097 1.00 0.21 C ATOM 298 C VAL A 20 17.433 -3.815 2.826 1.00 0.20 C ATOM 299 O VAL A 20 17.999 -4.886 2.609 1.00 0.24 O ATOM 300 CB VAL A 20 16.522 -3.122 5.060 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.141 -4.569 5.323 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.840 -2.409 6.361 1.00 0.24 C ATOM 0 H VAL A 20 17.329 -0.970 4.188 1.00 0.25 H new ATOM 0 HA VAL A 20 18.597 -3.438 4.586 1.00 0.21 H new ATOM 0 HB VAL A 20 15.666 -2.637 4.590 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.293 -4.603 6.007 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.869 -5.050 4.384 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.987 -5.093 5.767 1.00 0.23 H new ATOM 0 HG21 VAL A 20 15.988 -2.486 7.036 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.713 -2.869 6.824 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.048 -1.358 6.159 1.00 0.24 H new ATOM 312 N SER A 21 16.586 -3.252 1.971 1.00 0.22 N ATOM 313 CA SER A 21 16.217 -3.884 0.708 1.00 0.25 C ATOM 314 C SER A 21 17.449 -4.124 -0.166 1.00 0.27 C ATOM 315 O SER A 21 17.508 -5.107 -0.913 1.00 0.32 O ATOM 316 CB SER A 21 15.194 -3.010 -0.028 1.00 0.32 C ATOM 317 OG SER A 21 14.973 -3.472 -1.352 1.00 0.87 O ATOM 0 H SER A 21 16.138 -2.350 2.132 1.00 0.22 H new ATOM 0 HA SER A 21 15.768 -4.854 0.921 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.252 -3.010 0.521 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.547 -1.979 -0.055 1.00 0.32 H new ATOM 0 HG SER A 21 14.315 -2.895 -1.794 1.00 0.87 H new ATOM 323 N ARG A 22 18.438 -3.239 -0.046 1.00 0.30 N ATOM 324 CA ARG A 22 19.674 -3.357 -0.818 1.00 0.40 C ATOM 325 C ARG A 22 20.415 -4.639 -0.452 1.00 0.39 C ATOM 326 O ARG A 22 21.122 -5.210 -1.275 1.00 0.58 O ATOM 327 CB ARG A 22 20.598 -2.160 -0.565 1.00 0.51 C ATOM 328 CG ARG A 22 19.988 -0.807 -0.875 1.00 0.82 C ATOM 329 CD ARG A 22 19.885 -0.553 -2.368 1.00 0.75 C ATOM 330 NE ARG A 22 19.485 0.825 -2.653 1.00 0.73 N ATOM 331 CZ ARG A 22 19.018 1.233 -3.832 1.00 1.18 C ATOM 332 NH1 ARG A 22 18.925 0.376 -4.843 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.657 2.501 -4.004 1.00 1.28 N ATOM 0 H ARG A 22 18.407 -2.433 0.578 1.00 0.30 H new ATOM 0 HA ARG A 22 19.399 -3.381 -1.873 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.907 -2.172 0.480 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.500 -2.282 -1.165 1.00 0.51 H new ATOM 0 HG2 ARG A 22 18.995 -0.747 -0.429 1.00 0.82 H new ATOM 0 HG3 ARG A 22 20.592 -0.024 -0.416 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.846 -0.759 -2.840 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.161 -1.241 -2.806 1.00 0.75 H new ATOM 0 HE ARG A 22 19.569 1.514 -1.905 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.211 -0.595 -4.717 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.567 0.689 -5.746 1.00 2.03 H new ATOM 0 HH21 ARG A 22 18.737 3.163 -3.232 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.300 2.811 -4.908 1.00 1.28 H new ATOM 347 N VAL A 23 20.239 -5.087 0.785 1.00 0.29 N ATOM 348 CA VAL A 23 20.902 -6.292 1.260 1.00 0.33 C ATOM 349 C VAL A 23 20.027 -7.522 1.061 1.00 0.34 C ATOM 350 O VAL A 23 20.488 -8.545 0.548 1.00 0.43 O ATOM 351 CB VAL A 23 21.253 -6.195 2.757 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.174 -7.332 3.151 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.876 -4.851 3.091 1.00 0.33 C ATOM 0 H VAL A 23 19.642 -4.633 1.476 1.00 0.29 H new ATOM 0 HA VAL A 23 21.816 -6.387 0.674 1.00 0.33 H new ATOM 0 HB VAL A 23 20.330 -6.279 3.331 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.416 -7.254 4.211 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.678 -8.284 2.961 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.091 -7.277 2.565 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.112 -4.814 4.154 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.790 -4.719 2.511 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.174 -4.054 2.847 1.00 0.33 H new ATOM 363 N VAL A 24 18.766 -7.407 1.474 1.00 0.29 N ATOM 364 CA VAL A 24 17.801 -8.505 1.382 1.00 0.32 C ATOM 365 C VAL A 24 17.722 -9.103 -0.021 1.00 0.34 C ATOM 366 O VAL A 24 17.780 -10.322 -0.189 1.00 0.41 O ATOM 367 CB VAL A 24 16.390 -8.046 1.806 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.400 -9.197 1.735 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.419 -7.460 3.204 1.00 0.35 C ATOM 0 H VAL A 24 18.384 -6.553 1.881 1.00 0.29 H new ATOM 0 HA VAL A 24 18.162 -9.275 2.064 1.00 0.32 H new ATOM 0 HB VAL A 24 16.063 -7.273 1.111 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.413 -8.847 2.039 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.353 -9.574 0.713 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.723 -9.996 2.402 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.415 -7.142 3.486 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.772 -8.214 3.907 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.091 -6.602 3.225 1.00 0.35 H new ATOM 379 N ASN A 25 17.600 -8.251 -1.023 1.00 0.33 N ATOM 380 CA ASN A 25 17.497 -8.727 -2.398 1.00 0.42 C ATOM 381 C ASN A 25 18.751 -8.399 -3.195 1.00 0.76 C ATOM 382 O ASN A 25 18.810 -8.636 -4.403 1.00 0.94 O ATOM 383 CB ASN A 25 16.259 -8.140 -3.075 1.00 0.83 C ATOM 384 CG ASN A 25 14.970 -8.597 -2.417 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.445 -9.668 -2.726 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.450 -7.784 -1.505 1.00 1.15 N ATOM 0 H ASN A 25 17.570 -7.237 -0.917 1.00 0.33 H new ATOM 0 HA ASN A 25 17.398 -9.812 -2.370 1.00 0.42 H new ATOM 0 HB2 ASN A 25 16.313 -7.052 -3.045 1.00 0.83 H new ATOM 0 HB3 ASN A 25 16.250 -8.430 -4.126 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.583 -8.038 -1.031 1.00 1.15 H new ATOM 0 HD22 ASN A 25 14.917 -6.906 -1.279 1.00 1.15 H new ATOM 393 N GLN A 26 19.749 -7.866 -2.498 1.00 1.08 N ATOM 394 CA GLN A 26 21.023 -7.492 -3.106 1.00 1.58 C ATOM 395 C GLN A 26 20.806 -6.560 -4.292 1.00 1.10 C ATOM 396 O GLN A 26 21.241 -6.833 -5.410 1.00 1.64 O ATOM 397 CB GLN A 26 21.810 -8.738 -3.517 1.00 2.64 C ATOM 398 CG GLN A 26 22.227 -9.591 -2.332 1.00 3.42 C ATOM 399 CD GLN A 26 23.148 -10.724 -2.722 1.00 4.28 C ATOM 400 OE1 GLN A 26 24.368 -10.562 -2.757 1.00 4.88 O ATOM 401 NE2 GLN A 26 22.578 -11.884 -3.006 1.00 4.73 N ATOM 0 H GLN A 26 19.699 -7.681 -1.496 1.00 1.08 H new ATOM 0 HA GLN A 26 21.612 -6.952 -2.364 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.203 -9.338 -4.194 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.699 -8.434 -4.070 1.00 2.64 H new ATOM 0 HG2 GLN A 26 22.725 -8.962 -1.594 1.00 3.42 H new ATOM 0 HG3 GLN A 26 21.337 -10.000 -1.854 1.00 3.42 H new ATOM 0 HE21 GLN A 26 21.563 -11.977 -2.965 1.00 4.73 H new ATOM 0 HE22 GLN A 26 23.154 -12.685 -3.266 1.00 4.73 H new ATOM 410 N ALA A 27 20.142 -5.441 -4.024 1.00 0.83 N ATOM 411 CA ALA A 27 19.831 -4.447 -5.046 1.00 1.50 C ATOM 412 C ALA A 27 20.983 -3.464 -5.235 1.00 1.34 C ATOM 413 O ALA A 27 20.767 -2.296 -5.570 1.00 2.01 O ATOM 414 CB ALA A 27 18.566 -3.702 -4.656 1.00 2.27 C ATOM 0 H ALA A 27 19.804 -5.197 -3.093 1.00 0.83 H new ATOM 0 HA ALA A 27 19.677 -4.963 -5.994 1.00 1.50 H new ATOM 0 HB1 ALA A 27 18.332 -2.959 -5.418 1.00 2.27 H new ATOM 0 HB2 ALA A 27 17.740 -4.408 -4.571 1.00 2.27 H new ATOM 0 HB3 ALA A 27 18.718 -3.204 -3.698 1.00 2.27 H new ATOM 420 N SER A 28 22.196 -3.955 -4.997 1.00 1.04 N ATOM 421 CA SER A 28 23.417 -3.162 -5.134 1.00 0.84 C ATOM 422 C SER A 28 23.405 -1.957 -4.187 1.00 0.71 C ATOM 423 O SER A 28 22.514 -1.822 -3.347 1.00 0.73 O ATOM 424 CB SER A 28 23.597 -2.707 -6.595 1.00 0.91 C ATOM 425 OG SER A 28 24.927 -2.266 -6.847 1.00 1.52 O ATOM 0 H SER A 28 22.362 -4.917 -4.703 1.00 1.04 H new ATOM 0 HA SER A 28 24.264 -3.791 -4.858 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.353 -3.531 -7.266 1.00 0.91 H new ATOM 0 HB3 SER A 28 22.898 -1.900 -6.814 1.00 0.91 H new ATOM 0 HG SER A 28 25.007 -1.986 -7.783 1.00 1.52 H new ATOM 431 N HIS A 29 24.402 -1.084 -4.334 1.00 0.61 N ATOM 432 CA HIS A 29 24.531 0.111 -3.510 1.00 0.53 C ATOM 433 C HIS A 29 24.621 -0.233 -2.017 1.00 0.59 C ATOM 434 O HIS A 29 24.106 0.504 -1.174 1.00 0.76 O ATOM 435 CB HIS A 29 23.371 1.095 -3.714 1.00 0.50 C ATOM 436 CG HIS A 29 22.821 1.253 -5.108 1.00 0.50 C ATOM 437 ND1 HIS A 29 23.173 0.713 -6.302 1.00 0.46 N flip ATOM 438 CD2 HIS A 29 21.769 2.100 -5.375 1.00 0.64 C flip ATOM 439 CE1 HIS A 29 22.333 1.245 -7.251 1.00 0.53 C flip ATOM 440 NE2 HIS A 29 21.499 2.078 -6.660 1.00 0.63 N flip ATOM 0 H HIS A 29 25.141 -1.188 -5.029 1.00 0.61 H new ATOM 0 HA HIS A 29 25.457 0.586 -3.833 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.552 0.787 -3.064 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.699 2.076 -3.370 1.00 0.50 H new ATOM 0 HD2 HIS A 29 21.245 2.693 -4.639 1.00 0.64 H new ATOM 0 HE1 HIS A 29 22.353 1.018 -8.307 1.00 0.53 H new ATOM 0 HE2 HIS A 29 20.766 2.616 -7.124 1.00 0.63 H new ATOM 449 N VAL A 30 25.260 -1.351 -1.689 1.00 0.66 N ATOM 450 CA VAL A 30 25.416 -1.750 -0.298 1.00 0.76 C ATOM 451 C VAL A 30 26.867 -2.042 0.022 1.00 0.72 C ATOM 452 O VAL A 30 27.542 -2.775 -0.703 1.00 0.78 O ATOM 453 CB VAL A 30 24.593 -2.998 0.080 1.00 0.94 C ATOM 454 CG1 VAL A 30 23.611 -2.653 1.183 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.878 -3.592 -1.122 1.00 1.16 C ATOM 0 H VAL A 30 25.676 -1.993 -2.364 1.00 0.66 H new ATOM 0 HA VAL A 30 25.047 -0.904 0.282 1.00 0.76 H new ATOM 0 HB VAL A 30 25.282 -3.760 0.444 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.033 -3.539 1.445 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.156 -2.303 2.059 1.00 1.01 H new ATOM 0 HG13 VAL A 30 22.937 -1.869 0.838 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.310 -4.469 -0.811 1.00 1.16 H new ATOM 0 HG22 VAL A 30 23.199 -2.851 -1.544 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.611 -3.883 -1.874 1.00 1.16 H new ATOM 465 N SER A 31 27.330 -1.467 1.107 1.00 0.71 N ATOM 466 CA SER A 31 28.697 -1.664 1.551 1.00 0.76 C ATOM 467 C SER A 31 28.734 -2.680 2.686 1.00 0.83 C ATOM 468 O SER A 31 27.687 -3.056 3.216 1.00 1.30 O ATOM 469 CB SER A 31 29.292 -0.328 2.000 1.00 0.75 C ATOM 470 OG SER A 31 28.325 0.453 2.679 1.00 0.74 O ATOM 0 H SER A 31 26.777 -0.853 1.706 1.00 0.71 H new ATOM 0 HA SER A 31 29.294 -2.050 0.725 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.145 -0.507 2.654 1.00 0.75 H new ATOM 0 HB3 SER A 31 29.664 0.219 1.133 1.00 0.75 H new ATOM 0 HG SER A 31 27.714 -0.136 3.169 1.00 0.74 H new ATOM 476 N ALA A 32 29.929 -3.126 3.052 1.00 0.86 N ATOM 477 CA ALA A 32 30.083 -4.101 4.127 1.00 0.86 C ATOM 478 C ALA A 32 29.569 -3.538 5.446 1.00 0.75 C ATOM 479 O ALA A 32 28.907 -4.238 6.211 1.00 0.69 O ATOM 480 CB ALA A 32 31.542 -4.519 4.259 1.00 1.06 C ATOM 0 H ALA A 32 30.805 -2.829 2.622 1.00 0.86 H new ATOM 0 HA ALA A 32 29.490 -4.981 3.878 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.641 -5.246 5.065 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.878 -4.966 3.324 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.152 -3.644 4.483 1.00 1.06 H new ATOM 486 N LYS A 33 29.848 -2.259 5.678 1.00 0.80 N ATOM 487 CA LYS A 33 29.429 -1.576 6.905 1.00 0.78 C ATOM 488 C LYS A 33 27.932 -1.736 7.145 1.00 0.67 C ATOM 489 O LYS A 33 27.501 -2.065 8.252 1.00 0.69 O ATOM 490 CB LYS A 33 29.767 -0.086 6.836 1.00 0.94 C ATOM 491 CG LYS A 33 31.078 0.214 6.129 1.00 1.53 C ATOM 492 CD LYS A 33 31.313 1.712 5.996 1.00 1.99 C ATOM 493 CE LYS A 33 30.350 2.342 5.003 1.00 2.99 C ATOM 494 NZ LYS A 33 30.719 3.748 4.682 1.00 3.39 N ATOM 0 H LYS A 33 30.367 -1.668 5.029 1.00 0.80 H new ATOM 0 HA LYS A 33 29.971 -2.036 7.732 1.00 0.78 H new ATOM 0 HB2 LYS A 33 28.960 0.436 6.322 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.812 0.314 7.849 1.00 0.94 H new ATOM 0 HG2 LYS A 33 31.902 -0.236 6.683 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.071 -0.243 5.139 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.196 2.187 6.970 1.00 1.99 H new ATOM 0 HD3 LYS A 33 32.339 1.893 5.675 1.00 1.99 H new ATOM 0 HE2 LYS A 33 30.338 1.752 4.086 1.00 2.99 H new ATOM 0 HE3 LYS A 33 29.340 2.317 5.412 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 30.037 4.139 4.002 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 30.706 4.318 5.552 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 31.673 3.771 4.268 1.00 3.39 H new ATOM 508 N THR A 34 27.146 -1.523 6.098 1.00 0.61 N ATOM 509 CA THR A 34 25.702 -1.626 6.195 1.00 0.54 C ATOM 510 C THR A 34 25.226 -3.067 6.063 1.00 0.51 C ATOM 511 O THR A 34 24.347 -3.504 6.802 1.00 0.49 O ATOM 512 CB THR A 34 25.022 -0.771 5.113 1.00 0.53 C ATOM 513 OG1 THR A 34 25.954 -0.500 4.059 1.00 0.65 O ATOM 514 CG2 THR A 34 24.501 0.535 5.689 1.00 0.56 C ATOM 0 H THR A 34 27.489 -1.277 5.169 1.00 0.61 H new ATOM 0 HA THR A 34 25.425 -1.258 7.183 1.00 0.54 H new ATOM 0 HB THR A 34 24.172 -1.329 4.720 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.519 0.044 3.369 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.026 1.117 4.899 1.00 0.56 H new ATOM 0 HG22 THR A 34 23.773 0.323 6.472 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.330 1.104 6.110 1.00 0.56 H new ATOM 522 N ARG A 35 25.822 -3.816 5.147 1.00 0.51 N ATOM 523 CA ARG A 35 25.419 -5.199 4.925 1.00 0.51 C ATOM 524 C ARG A 35 25.596 -6.052 6.181 1.00 0.52 C ATOM 525 O ARG A 35 24.754 -6.894 6.494 1.00 0.52 O ATOM 526 CB ARG A 35 26.222 -5.798 3.770 1.00 0.53 C ATOM 527 CG ARG A 35 25.769 -7.194 3.376 1.00 0.70 C ATOM 528 CD ARG A 35 26.443 -7.670 2.102 1.00 0.79 C ATOM 529 NE ARG A 35 25.832 -8.892 1.594 1.00 1.64 N ATOM 530 CZ ARG A 35 25.642 -9.144 0.301 1.00 2.19 C ATOM 531 NH1 ARG A 35 26.029 -8.267 -0.618 1.00 2.09 N ATOM 532 NH2 ARG A 35 25.069 -10.274 -0.073 1.00 3.31 N ATOM 0 H ARG A 35 26.582 -3.493 4.548 1.00 0.51 H new ATOM 0 HA ARG A 35 24.359 -5.198 4.672 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.143 -5.141 2.904 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.275 -5.832 4.049 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.991 -7.889 4.185 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.688 -7.199 3.238 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.381 -6.889 1.344 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.502 -7.845 2.294 1.00 0.79 H new ATOM 0 HE ARG A 35 25.532 -9.595 2.269 1.00 1.64 H new ATOM 0 HH11 ARG A 35 26.475 -7.394 -0.335 1.00 2.09 H new ATOM 0 HH12 ARG A 35 25.881 -8.466 -1.607 1.00 2.09 H new ATOM 0 HH21 ARG A 35 24.773 -10.952 0.629 1.00 3.31 H new ATOM 0 HH22 ARG A 35 24.923 -10.468 -1.064 1.00 3.31 H new ATOM 546 N GLU A 36 26.673 -5.813 6.915 1.00 0.56 N ATOM 547 CA GLU A 36 26.963 -6.582 8.120 1.00 0.58 C ATOM 548 C GLU A 36 26.104 -6.153 9.303 1.00 0.54 C ATOM 549 O GLU A 36 26.098 -6.816 10.341 1.00 0.61 O ATOM 550 CB GLU A 36 28.446 -6.480 8.473 1.00 0.67 C ATOM 551 CG GLU A 36 29.345 -7.051 7.395 1.00 0.70 C ATOM 552 CD GLU A 36 30.742 -7.361 7.893 1.00 0.85 C ATOM 553 OE1 GLU A 36 30.964 -8.487 8.386 1.00 1.45 O ATOM 554 OE2 GLU A 36 31.622 -6.481 7.793 1.00 1.39 O ATOM 0 H GLU A 36 27.362 -5.093 6.698 1.00 0.56 H new ATOM 0 HA GLU A 36 26.716 -7.622 7.905 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.704 -5.434 8.639 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.629 -7.007 9.410 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.896 -7.962 7.000 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.408 -6.342 6.569 1.00 0.70 H new ATOM 561 N LYS A 37 25.380 -5.055 9.154 1.00 0.49 N ATOM 562 CA LYS A 37 24.515 -4.584 10.226 1.00 0.47 C ATOM 563 C LYS A 37 23.063 -4.921 9.921 1.00 0.39 C ATOM 564 O LYS A 37 22.267 -5.166 10.825 1.00 0.38 O ATOM 565 CB LYS A 37 24.690 -3.079 10.473 1.00 0.52 C ATOM 566 CG LYS A 37 23.861 -2.183 9.564 1.00 0.86 C ATOM 567 CD LYS A 37 23.978 -0.717 9.957 1.00 0.84 C ATOM 568 CE LYS A 37 25.284 -0.111 9.478 1.00 0.73 C ATOM 569 NZ LYS A 37 26.231 0.137 10.593 1.00 0.98 N ATOM 0 H LYS A 37 25.373 -4.479 8.312 1.00 0.49 H new ATOM 0 HA LYS A 37 24.806 -5.098 11.142 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.430 -2.862 11.509 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.743 -2.825 10.349 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.188 -2.310 8.532 1.00 0.86 H new ATOM 0 HG3 LYS A 37 22.816 -2.489 9.607 1.00 0.86 H new ATOM 0 HD2 LYS A 37 23.142 -0.159 9.536 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.909 -0.624 11.041 1.00 0.84 H new ATOM 0 HE2 LYS A 37 25.748 -0.779 8.752 1.00 0.73 H new ATOM 0 HE3 LYS A 37 25.079 0.827 8.962 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.108 0.551 10.218 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.801 0.795 11.274 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 26.449 -0.761 11.070 1.00 0.98 H new ATOM 583 N VAL A 38 22.731 -4.972 8.637 1.00 0.36 N ATOM 584 CA VAL A 38 21.368 -5.282 8.219 1.00 0.31 C ATOM 585 C VAL A 38 21.091 -6.772 8.350 1.00 0.32 C ATOM 586 O VAL A 38 20.058 -7.167 8.888 1.00 0.31 O ATOM 587 CB VAL A 38 21.090 -4.829 6.770 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.689 -5.232 6.339 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.271 -3.324 6.645 1.00 0.30 C ATOM 0 H VAL A 38 23.382 -4.804 7.870 1.00 0.36 H new ATOM 0 HA VAL A 38 20.700 -4.729 8.880 1.00 0.31 H new ATOM 0 HB VAL A 38 21.805 -5.324 6.112 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.515 -4.903 5.315 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.589 -6.316 6.394 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.957 -4.767 6.999 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.072 -3.018 5.618 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.577 -2.817 7.316 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.294 -3.057 6.911 1.00 0.30 H new ATOM 599 N GLU A 39 22.028 -7.594 7.882 1.00 0.36 N ATOM 600 CA GLU A 39 21.879 -9.042 7.956 1.00 0.39 C ATOM 601 C GLU A 39 21.942 -9.501 9.405 1.00 0.41 C ATOM 602 O GLU A 39 21.487 -10.591 9.749 1.00 0.43 O ATOM 603 CB GLU A 39 22.959 -9.741 7.131 1.00 0.44 C ATOM 604 CG GLU A 39 22.805 -9.523 5.635 1.00 0.55 C ATOM 605 CD GLU A 39 23.704 -10.426 4.813 1.00 0.82 C ATOM 606 OE1 GLU A 39 24.866 -10.048 4.558 1.00 1.44 O ATOM 607 OE2 GLU A 39 23.247 -11.514 4.405 1.00 1.59 O ATOM 0 H GLU A 39 22.897 -7.281 7.448 1.00 0.36 H new ATOM 0 HA GLU A 39 20.907 -9.310 7.542 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.938 -9.379 7.445 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.932 -10.810 7.340 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.767 -9.697 5.352 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.029 -8.483 5.399 1.00 0.55 H new ATOM 614 N ALA A 40 22.518 -8.654 10.248 1.00 0.43 N ATOM 615 CA ALA A 40 22.627 -8.938 11.664 1.00 0.46 C ATOM 616 C ALA A 40 21.345 -8.519 12.376 1.00 0.41 C ATOM 617 O ALA A 40 20.820 -9.248 13.211 1.00 0.43 O ATOM 618 CB ALA A 40 23.828 -8.212 12.251 1.00 0.52 C ATOM 0 H ALA A 40 22.919 -7.759 9.968 1.00 0.43 H new ATOM 0 HA ALA A 40 22.770 -10.009 11.805 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.901 -8.432 13.316 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.736 -8.545 11.748 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.709 -7.138 12.110 1.00 0.52 H new ATOM 624 N ALA A 41 20.836 -7.342 12.021 1.00 0.37 N ATOM 625 CA ALA A 41 19.615 -6.820 12.627 1.00 0.34 C ATOM 626 C ALA A 41 18.414 -7.682 12.268 1.00 0.31 C ATOM 627 O ALA A 41 17.528 -7.913 13.093 1.00 0.34 O ATOM 628 CB ALA A 41 19.391 -5.373 12.204 1.00 0.31 C ATOM 0 H ALA A 41 21.251 -6.732 11.317 1.00 0.37 H new ATOM 0 HA ALA A 41 19.732 -6.849 13.710 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.477 -4.997 12.663 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.236 -4.765 12.526 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.300 -5.321 11.119 1.00 0.31 H new ATOM 634 N MET A 42 18.395 -8.171 11.037 1.00 0.28 N ATOM 635 CA MET A 42 17.300 -9.017 10.570 1.00 0.29 C ATOM 636 C MET A 42 17.360 -10.396 11.215 1.00 0.35 C ATOM 637 O MET A 42 16.414 -11.175 11.124 1.00 0.39 O ATOM 638 CB MET A 42 17.317 -9.143 9.045 1.00 0.27 C ATOM 639 CG MET A 42 18.489 -9.947 8.495 1.00 0.33 C ATOM 640 SD MET A 42 18.381 -10.237 6.718 1.00 0.35 S ATOM 641 CE MET A 42 18.489 -8.564 6.094 1.00 0.33 C ATOM 0 H MET A 42 19.122 -7.999 10.343 1.00 0.28 H new ATOM 0 HA MET A 42 16.365 -8.540 10.866 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.387 -9.610 8.720 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.341 -8.144 8.610 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.418 -9.420 8.715 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.537 -10.906 9.011 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.808 -8.584 5.052 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.512 -8.085 6.165 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.213 -8.002 6.684 1.00 0.33 H new ATOM 651 N ALA A 43 18.473 -10.681 11.875 1.00 0.40 N ATOM 652 CA ALA A 43 18.656 -11.956 12.547 1.00 0.47 C ATOM 653 C ALA A 43 18.222 -11.837 14.002 1.00 0.48 C ATOM 654 O ALA A 43 17.824 -12.814 14.632 1.00 0.53 O ATOM 655 CB ALA A 43 20.107 -12.410 12.447 1.00 0.52 C ATOM 0 H ALA A 43 19.265 -10.043 11.959 1.00 0.40 H new ATOM 0 HA ALA A 43 18.037 -12.708 12.058 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.225 -13.367 12.956 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.382 -12.521 11.398 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.754 -11.668 12.915 1.00 0.52 H new ATOM 661 N GLU A 44 18.281 -10.613 14.514 1.00 0.46 N ATOM 662 CA GLU A 44 17.898 -10.326 15.891 1.00 0.46 C ATOM 663 C GLU A 44 16.393 -10.404 16.067 1.00 0.45 C ATOM 664 O GLU A 44 15.879 -11.175 16.877 1.00 0.48 O ATOM 665 CB GLU A 44 18.365 -8.926 16.280 1.00 0.45 C ATOM 666 CG GLU A 44 19.861 -8.731 16.173 1.00 0.51 C ATOM 667 CD GLU A 44 20.634 -9.583 17.157 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.182 -9.716 18.315 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.691 -10.129 16.775 1.00 1.36 O ATOM 0 H GLU A 44 18.594 -9.796 13.990 1.00 0.46 H new ATOM 0 HA GLU A 44 18.370 -11.072 16.531 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.866 -8.196 15.642 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.053 -8.720 17.304 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.183 -8.971 15.160 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.099 -7.681 16.343 1.00 0.51 H new ATOM 676 N LEU A 45 15.701 -9.597 15.285 1.00 0.42 N ATOM 677 CA LEU A 45 14.249 -9.514 15.343 1.00 0.44 C ATOM 678 C LEU A 45 13.583 -10.641 14.562 1.00 0.48 C ATOM 679 O LEU A 45 12.375 -10.838 14.672 1.00 0.52 O ATOM 680 CB LEU A 45 13.794 -8.166 14.785 1.00 0.49 C ATOM 681 CG LEU A 45 14.693 -6.980 15.148 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.809 -6.020 13.979 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.157 -6.261 16.374 1.00 1.88 C ATOM 0 H LEU A 45 16.126 -8.981 14.592 1.00 0.42 H new ATOM 0 HA LEU A 45 13.950 -9.612 16.387 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.736 -8.240 13.699 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.786 -7.962 15.145 1.00 0.49 H new ATOM 0 HG LEU A 45 15.687 -7.362 15.379 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.452 -5.184 14.257 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.239 -6.540 13.123 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.820 -5.645 13.716 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.808 -5.421 16.617 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.152 -5.893 16.169 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.126 -6.952 17.216 1.00 1.88 H new ATOM 695 N ASN A 46 14.384 -11.384 13.797 1.00 0.49 N ATOM 696 CA ASN A 46 13.886 -12.488 12.968 1.00 0.54 C ATOM 697 C ASN A 46 13.022 -11.934 11.841 1.00 0.51 C ATOM 698 O ASN A 46 11.822 -12.195 11.760 1.00 0.60 O ATOM 699 CB ASN A 46 13.102 -13.517 13.795 1.00 0.62 C ATOM 700 CG ASN A 46 13.958 -14.173 14.859 1.00 1.22 C ATOM 701 OD1 ASN A 46 13.941 -13.770 16.024 1.00 2.01 O ATOM 702 ND2 ASN A 46 14.712 -15.189 14.465 1.00 1.90 N ATOM 0 H ASN A 46 15.392 -11.240 13.733 1.00 0.49 H new ATOM 0 HA ASN A 46 14.746 -13.007 12.544 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.251 -13.027 14.268 1.00 0.62 H new ATOM 0 HB3 ASN A 46 12.701 -14.283 13.132 1.00 0.62 H new ATOM 0 HD21 ASN A 46 15.310 -15.671 15.136 1.00 1.90 H new ATOM 0 HD22 ASN A 46 14.695 -15.489 13.490 1.00 1.90 H new ATOM 709 N TYR A 47 13.664 -11.156 10.985 1.00 0.42 N ATOM 710 CA TYR A 47 13.017 -10.514 9.853 1.00 0.39 C ATOM 711 C TYR A 47 12.520 -11.532 8.830 1.00 0.49 C ATOM 712 O TYR A 47 13.221 -12.482 8.483 1.00 0.58 O ATOM 713 CB TYR A 47 14.013 -9.541 9.223 1.00 0.27 C ATOM 714 CG TYR A 47 13.652 -9.034 7.847 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.383 -8.557 7.565 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.600 -9.015 6.839 1.00 1.07 C ATOM 717 CE1 TYR A 47 12.065 -8.081 6.311 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.292 -8.543 5.584 1.00 1.08 C ATOM 719 CZ TYR A 47 13.025 -8.077 5.325 1.00 0.23 C ATOM 720 OH TYR A 47 12.719 -7.603 4.074 1.00 0.24 O ATOM 0 H TYR A 47 14.660 -10.950 11.058 1.00 0.42 H new ATOM 0 HA TYR A 47 12.136 -9.975 10.200 1.00 0.39 H new ATOM 0 HB2 TYR A 47 14.126 -8.684 9.888 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.985 -10.031 9.166 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.631 -8.558 8.340 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.598 -9.376 7.041 1.00 1.07 H new ATOM 0 HE1 TYR A 47 11.071 -7.714 6.104 1.00 1.16 H new ATOM 0 HE2 TYR A 47 15.042 -8.539 4.807 1.00 1.08 H new ATOM 0 HH TYR A 47 13.302 -6.845 3.860 1.00 0.24 H new ATOM 730 N ILE A 48 11.306 -11.307 8.347 1.00 0.56 N ATOM 731 CA ILE A 48 10.686 -12.192 7.373 1.00 0.66 C ATOM 732 C ILE A 48 10.607 -11.526 6.000 1.00 0.52 C ATOM 733 O ILE A 48 9.819 -10.601 5.797 1.00 0.55 O ATOM 734 CB ILE A 48 9.261 -12.597 7.804 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.256 -13.093 9.251 1.00 1.16 C ATOM 736 CG2 ILE A 48 8.708 -13.662 6.870 1.00 0.98 C ATOM 737 CD1 ILE A 48 10.188 -14.258 9.504 1.00 1.01 C ATOM 0 H ILE A 48 10.727 -10.512 8.617 1.00 0.56 H new ATOM 0 HA ILE A 48 11.312 -13.083 7.316 1.00 0.66 H new ATOM 0 HB ILE A 48 8.619 -11.718 7.744 1.00 0.91 H new ATOM 0 HG12 ILE A 48 9.534 -12.269 9.908 1.00 1.16 H new ATOM 0 HG13 ILE A 48 8.242 -13.387 9.520 1.00 1.16 H new ATOM 0 HG21 ILE A 48 7.702 -13.937 7.187 1.00 0.98 H new ATOM 0 HG22 ILE A 48 8.674 -13.272 5.853 1.00 0.98 H new ATOM 0 HG23 ILE A 48 9.351 -14.541 6.900 1.00 0.98 H new ATOM 0 HD11 ILE A 48 10.127 -14.551 10.552 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.898 -15.099 8.874 1.00 1.01 H new ATOM 0 HD13 ILE A 48 11.211 -13.964 9.268 1.00 1.01 H new ATOM 749 N PRO A 49 11.444 -11.973 5.048 1.00 0.44 N ATOM 750 CA PRO A 49 11.446 -11.441 3.683 1.00 0.35 C ATOM 751 C PRO A 49 10.179 -11.857 2.946 1.00 0.39 C ATOM 752 O PRO A 49 9.979 -13.038 2.645 1.00 0.49 O ATOM 753 CB PRO A 49 12.683 -12.079 3.032 1.00 0.40 C ATOM 754 CG PRO A 49 13.456 -12.696 4.153 1.00 0.51 C ATOM 755 CD PRO A 49 12.454 -13.021 5.221 1.00 0.55 C ATOM 0 HA PRO A 49 11.475 -10.352 3.658 1.00 0.35 H new ATOM 0 HB2 PRO A 49 12.395 -12.829 2.295 1.00 0.40 H new ATOM 0 HB3 PRO A 49 13.280 -11.332 2.509 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.975 -13.594 3.820 1.00 0.51 H new ATOM 0 HG3 PRO A 49 14.215 -12.009 4.527 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.031 -14.017 5.089 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.899 -12.993 6.215 1.00 0.55 H new ATOM 763 N ASN A 50 9.322 -10.890 2.663 1.00 0.40 N ATOM 764 CA ASN A 50 8.057 -11.161 1.995 1.00 0.45 C ATOM 765 C ASN A 50 8.235 -11.326 0.494 1.00 0.49 C ATOM 766 O ASN A 50 8.553 -10.374 -0.215 1.00 0.54 O ATOM 767 CB ASN A 50 7.063 -10.042 2.290 1.00 0.45 C ATOM 768 CG ASN A 50 6.671 -10.004 3.751 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.726 -10.672 4.172 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.390 -9.223 4.532 1.00 0.46 N ATOM 0 H ASN A 50 9.479 -9.907 2.886 1.00 0.40 H new ATOM 0 HA ASN A 50 7.669 -12.102 2.384 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.500 -9.085 2.007 1.00 0.45 H new ATOM 0 HB3 ASN A 50 6.171 -10.179 1.679 1.00 0.45 H new ATOM 0 HD21 ASN A 50 7.172 -9.155 5.526 1.00 0.46 H new ATOM 0 HD22 ASN A 50 8.165 -8.686 4.142 1.00 0.46 H new ATOM 777 N ARG A 51 8.005 -12.543 0.021 1.00 0.51 N ATOM 778 CA ARG A 51 8.135 -12.863 -1.397 1.00 0.57 C ATOM 779 C ARG A 51 6.933 -12.348 -2.173 1.00 0.56 C ATOM 780 O ARG A 51 7.004 -12.131 -3.383 1.00 0.59 O ATOM 781 CB ARG A 51 8.266 -14.374 -1.580 1.00 0.63 C ATOM 782 CG ARG A 51 9.450 -14.963 -0.839 1.00 1.42 C ATOM 783 CD ARG A 51 9.384 -16.474 -0.818 1.00 2.25 C ATOM 784 NE ARG A 51 9.772 -17.017 0.484 1.00 3.08 N ATOM 785 CZ ARG A 51 9.291 -18.155 0.991 1.00 4.17 C ATOM 786 NH1 ARG A 51 8.436 -18.891 0.287 1.00 4.66 N ATOM 787 NH2 ARG A 51 9.667 -18.557 2.202 1.00 5.04 N ATOM 0 H ARG A 51 7.725 -13.332 0.603 1.00 0.51 H new ATOM 0 HA ARG A 51 9.031 -12.376 -1.782 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.352 -14.856 -1.234 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.362 -14.598 -2.642 1.00 0.63 H new ATOM 0 HG2 ARG A 51 10.377 -14.643 -1.316 1.00 1.42 H new ATOM 0 HG3 ARG A 51 9.469 -14.583 0.182 1.00 1.42 H new ATOM 0 HD2 ARG A 51 8.371 -16.797 -1.059 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.040 -16.877 -1.590 1.00 2.25 H new ATOM 0 HE ARG A 51 10.451 -16.495 1.038 1.00 3.08 H new ATOM 0 HH11 ARG A 51 8.146 -18.587 -0.642 1.00 4.66 H new ATOM 0 HH12 ARG A 51 8.070 -19.760 0.676 1.00 4.66 H new ATOM 0 HH21 ARG A 51 10.324 -17.996 2.745 1.00 5.04 H new ATOM 0 HH22 ARG A 51 9.299 -19.426 2.588 1.00 5.04 H new ATOM 801 N CYS A 52 5.832 -12.141 -1.465 1.00 0.55 N ATOM 802 CA CYS A 52 4.608 -11.651 -2.075 1.00 0.55 C ATOM 803 C CYS A 52 4.740 -10.172 -2.377 1.00 0.52 C ATOM 804 O CYS A 52 4.453 -9.723 -3.491 1.00 0.57 O ATOM 805 CB CYS A 52 3.426 -11.890 -1.143 1.00 0.56 C ATOM 806 SG CYS A 52 2.058 -10.712 -1.360 1.00 0.83 S ATOM 0 H CYS A 52 5.763 -12.307 -0.461 1.00 0.55 H new ATOM 0 HA CYS A 52 4.435 -12.190 -3.006 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.050 -12.900 -1.303 1.00 0.56 H new ATOM 0 HB3 CYS A 52 3.775 -11.839 -0.111 1.00 0.56 H new ATOM 811 N ALA A 53 5.193 -9.425 -1.375 1.00 0.45 N ATOM 812 CA ALA A 53 5.402 -7.992 -1.514 1.00 0.43 C ATOM 813 C ALA A 53 6.437 -7.713 -2.589 1.00 0.43 C ATOM 814 O ALA A 53 6.368 -6.702 -3.278 1.00 0.44 O ATOM 815 CB ALA A 53 5.831 -7.401 -0.199 1.00 0.41 C ATOM 0 H ALA A 53 5.423 -9.794 -0.452 1.00 0.45 H new ATOM 0 HA ALA A 53 4.463 -7.526 -1.812 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.985 -6.328 -0.315 1.00 0.41 H new ATOM 0 HB2 ALA A 53 5.058 -7.578 0.549 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.762 -7.868 0.123 1.00 0.41 H new ATOM 821 N GLN A 54 7.390 -8.633 -2.727 1.00 0.45 N ATOM 822 CA GLN A 54 8.441 -8.519 -3.731 1.00 0.48 C ATOM 823 C GLN A 54 7.833 -8.577 -5.128 1.00 0.51 C ATOM 824 O GLN A 54 8.251 -7.860 -6.039 1.00 0.55 O ATOM 825 CB GLN A 54 9.459 -9.649 -3.548 1.00 0.50 C ATOM 826 CG GLN A 54 10.884 -9.268 -3.913 1.00 0.74 C ATOM 827 CD GLN A 54 11.136 -9.262 -5.409 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.534 -10.030 -6.161 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.035 -8.395 -5.851 1.00 1.07 N ATOM 0 H GLN A 54 7.454 -9.472 -2.150 1.00 0.45 H new ATOM 0 HA GLN A 54 8.951 -7.563 -3.610 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.437 -9.978 -2.509 1.00 0.50 H new ATOM 0 HB3 GLN A 54 9.155 -10.500 -4.158 1.00 0.50 H new ATOM 0 HG2 GLN A 54 11.104 -8.279 -3.510 1.00 0.74 H new ATOM 0 HG3 GLN A 54 11.573 -9.966 -3.438 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.512 -7.776 -5.195 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.250 -8.347 -6.847 1.00 1.07 H new ATOM 838 N GLN A 55 6.832 -9.433 -5.280 1.00 0.52 N ATOM 839 CA GLN A 55 6.144 -9.588 -6.551 1.00 0.57 C ATOM 840 C GLN A 55 5.273 -8.369 -6.834 1.00 0.58 C ATOM 841 O GLN A 55 5.231 -7.876 -7.961 1.00 0.74 O ATOM 842 CB GLN A 55 5.291 -10.859 -6.547 1.00 0.62 C ATOM 843 CG GLN A 55 6.103 -12.130 -6.725 1.00 0.65 C ATOM 844 CD GLN A 55 5.332 -13.377 -6.354 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.664 -13.978 -7.194 1.00 1.83 O ATOM 846 NE2 GLN A 55 5.426 -13.772 -5.096 1.00 2.01 N ATOM 0 H GLN A 55 6.478 -10.032 -4.534 1.00 0.52 H new ATOM 0 HA GLN A 55 6.891 -9.674 -7.340 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.742 -10.916 -5.607 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.552 -10.794 -7.345 1.00 0.62 H new ATOM 0 HG2 GLN A 55 6.428 -12.205 -7.763 1.00 0.65 H new ATOM 0 HG3 GLN A 55 7.003 -12.069 -6.113 1.00 0.65 H new ATOM 0 HE21 GLN A 55 5.993 -13.240 -4.435 1.00 2.01 H new ATOM 0 HE22 GLN A 55 4.932 -14.609 -4.786 1.00 2.01 H new ATOM 855 N LEU A 56 4.583 -7.890 -5.798 1.00 0.51 N ATOM 856 CA LEU A 56 3.713 -6.724 -5.918 1.00 0.50 C ATOM 857 C LEU A 56 4.520 -5.462 -6.221 1.00 0.47 C ATOM 858 O LEU A 56 4.173 -4.695 -7.116 1.00 0.48 O ATOM 859 CB LEU A 56 2.911 -6.514 -4.631 1.00 0.49 C ATOM 860 CG LEU A 56 1.684 -5.624 -4.794 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.569 -6.382 -5.491 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.214 -5.117 -3.453 1.00 0.48 C ATOM 0 H LEU A 56 4.612 -8.296 -4.863 1.00 0.51 H new ATOM 0 HA LEU A 56 3.028 -6.911 -6.745 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.593 -7.485 -4.253 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.565 -6.077 -3.877 1.00 0.49 H new ATOM 0 HG LEU A 56 1.961 -4.768 -5.409 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.300 -5.733 -5.600 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.908 -6.703 -6.476 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.297 -7.256 -4.898 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.338 -4.484 -3.590 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.955 -5.962 -2.815 1.00 0.48 H new ATOM 0 HD23 LEU A 56 2.010 -4.539 -2.983 1.00 0.48 H new ATOM 874 N ALA A 57 5.603 -5.265 -5.478 1.00 0.45 N ATOM 875 CA ALA A 57 6.464 -4.099 -5.653 1.00 0.44 C ATOM 876 C ALA A 57 7.209 -4.160 -6.983 1.00 0.46 C ATOM 877 O ALA A 57 7.637 -3.137 -7.521 1.00 0.49 O ATOM 878 CB ALA A 57 7.449 -3.997 -4.497 1.00 0.44 C ATOM 0 H ALA A 57 5.908 -5.903 -4.743 1.00 0.45 H new ATOM 0 HA ALA A 57 5.835 -3.209 -5.662 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.086 -3.124 -4.638 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.901 -3.899 -3.560 1.00 0.44 H new ATOM 0 HB3 ALA A 57 8.066 -4.895 -4.464 1.00 0.44 H new ATOM 884 N GLY A 58 7.357 -5.367 -7.510 1.00 0.53 N ATOM 885 CA GLY A 58 8.033 -5.554 -8.775 1.00 0.61 C ATOM 886 C GLY A 58 7.103 -5.367 -9.962 1.00 0.94 C ATOM 887 O GLY A 58 7.467 -5.662 -11.103 1.00 1.14 O ATOM 0 H GLY A 58 7.017 -6.226 -7.078 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.860 -4.848 -8.850 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.464 -6.554 -8.809 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.330 -13.900 -7.835 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.252 -12.783 -7.948 1.00 0.66 C ATOM 1019 C VAL B 4 -10.003 -11.780 -6.831 1.00 0.59 C ATOM 1020 O VAL B 4 -9.932 -12.143 -5.663 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.714 -13.255 -7.891 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.665 -12.083 -8.051 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.971 -14.308 -8.951 1.00 0.73 C ATOM 0 HA VAL B 4 -10.078 -12.309 -8.914 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.894 -13.702 -6.913 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.694 -12.441 -8.008 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.496 -11.365 -7.248 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.489 -11.600 -9.012 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -13.010 -14.632 -8.898 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.772 -13.888 -9.937 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.316 -15.162 -8.782 1.00 0.73 H new ATOM 1033 N THR B 5 -9.897 -10.524 -7.200 1.00 0.50 N ATOM 1034 CA THR B 5 -9.627 -9.469 -6.249 1.00 0.45 C ATOM 1035 C THR B 5 -10.922 -8.910 -5.683 1.00 0.40 C ATOM 1036 O THR B 5 -12.010 -9.291 -6.113 1.00 0.39 O ATOM 1037 CB THR B 5 -8.836 -8.342 -6.933 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.689 -7.651 -7.854 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.646 -8.910 -7.690 1.00 0.48 C ATOM 0 H THR B 5 -9.995 -10.205 -8.164 1.00 0.50 H new ATOM 0 HA THR B 5 -9.039 -9.885 -5.431 1.00 0.45 H new ATOM 0 HB THR B 5 -8.476 -7.655 -6.167 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.690 -8.120 -8.714 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.098 -8.098 -8.168 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.988 -9.432 -6.995 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.998 -9.607 -8.450 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.813 -7.998 -4.723 1.00 0.39 N ATOM 1048 CA LEU B 6 -11.996 -7.387 -4.143 1.00 0.36 C ATOM 1049 C LEU B 6 -12.446 -6.282 -5.087 1.00 0.32 C ATOM 1050 O LEU B 6 -13.539 -5.724 -4.975 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.657 -6.884 -2.735 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.510 -5.766 -2.150 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.744 -6.018 -0.671 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.812 -4.438 -2.343 1.00 0.50 C ATOM 0 H LEU B 6 -9.928 -7.671 -4.336 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.819 -8.092 -4.030 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.709 -7.734 -2.055 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.621 -6.545 -2.742 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.472 -5.742 -2.663 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.355 -5.215 -0.257 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.259 -6.970 -0.541 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.786 -6.050 -0.151 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.425 -3.640 -1.923 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.846 -4.458 -1.838 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.661 -4.258 -3.407 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.577 -6.031 -6.062 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.800 -5.035 -7.090 1.00 0.32 C ATOM 1068 C TYR B 7 -12.736 -5.600 -8.155 1.00 0.32 C ATOM 1069 O TYR B 7 -13.688 -4.941 -8.583 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.457 -4.643 -7.712 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.763 -3.504 -6.998 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.046 -3.692 -5.809 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -9.830 -2.222 -7.522 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.435 -2.628 -5.187 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.215 -1.157 -6.900 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.519 -1.364 -5.732 1.00 0.44 C ATOM 1077 OH TYR B 7 -7.901 -0.301 -5.106 1.00 0.49 O ATOM 0 H TYR B 7 -10.689 -6.523 -6.156 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.262 -4.149 -6.654 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.800 -5.513 -7.713 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.617 -4.363 -8.753 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -8.972 -4.679 -5.378 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.376 -2.054 -8.438 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -7.888 -2.783 -4.269 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.279 -0.167 -7.327 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.458 0.009 -4.361 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.467 -6.848 -8.548 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.266 -7.544 -9.559 1.00 0.35 C ATOM 1089 C ASP B 8 -14.710 -7.670 -9.097 1.00 0.31 C ATOM 1090 O ASP B 8 -15.642 -7.545 -9.894 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.706 -8.946 -9.850 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.307 -8.932 -10.439 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.143 -8.451 -11.580 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.369 -9.414 -9.764 1.00 1.31 O ATOM 0 H ASP B 8 -11.694 -7.401 -8.177 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.221 -6.953 -10.474 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.696 -9.523 -8.925 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.376 -9.460 -10.539 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.877 -7.931 -7.801 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.199 -8.067 -7.197 1.00 0.25 C ATOM 1101 C VAL B 9 -17.002 -6.778 -7.357 1.00 0.25 C ATOM 1102 O VAL B 9 -18.179 -6.802 -7.715 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.075 -8.431 -5.699 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.439 -8.567 -5.042 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.285 -9.715 -5.540 1.00 0.28 C ATOM 0 H VAL B 9 -14.105 -8.053 -7.146 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.725 -8.870 -7.712 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.547 -7.619 -5.199 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.312 -8.823 -3.990 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.978 -7.623 -5.123 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -18.006 -9.353 -5.541 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.203 -9.963 -4.482 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.795 -10.523 -6.064 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.288 -9.583 -5.960 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.342 -5.653 -7.123 1.00 0.25 N ATOM 1116 CA ALA B 10 -16.979 -4.349 -7.231 1.00 0.28 C ATOM 1117 C ALA B 10 -17.341 -4.015 -8.672 1.00 0.33 C ATOM 1118 O ALA B 10 -18.469 -3.609 -8.961 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.051 -3.290 -6.674 1.00 0.31 C ATOM 0 H ALA B 10 -15.358 -5.618 -6.855 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.905 -4.375 -6.657 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.526 -2.312 -6.754 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.839 -3.506 -5.627 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.119 -3.288 -7.240 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.376 -4.202 -9.564 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.558 -3.917 -10.985 1.00 0.44 C ATOM 1127 C GLU B 11 -17.749 -4.675 -11.568 1.00 0.47 C ATOM 1128 O GLU B 11 -18.517 -4.133 -12.364 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.293 -4.279 -11.769 1.00 0.51 C ATOM 1130 CG GLU B 11 -14.086 -3.413 -11.435 1.00 1.27 C ATOM 1131 CD GLU B 11 -12.893 -3.714 -12.319 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -12.779 -3.097 -13.399 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -12.069 -4.578 -11.950 1.00 2.34 O ATOM 0 H GLU B 11 -15.449 -4.554 -9.326 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.755 -2.849 -11.076 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.044 -5.322 -11.574 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.503 -4.195 -12.835 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -14.356 -2.362 -11.541 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -13.809 -3.568 -10.392 1.00 1.27 H new ATOM 1140 N TYR B 12 -17.896 -5.922 -11.155 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.977 -6.769 -11.638 1.00 0.49 C ATOM 1142 C TYR B 12 -20.319 -6.364 -11.037 1.00 0.49 C ATOM 1143 O TYR B 12 -21.351 -6.423 -11.708 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.684 -8.221 -11.290 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.486 -9.210 -12.091 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.119 -9.531 -13.389 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.601 -9.828 -11.548 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -19.840 -10.445 -14.125 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.331 -10.743 -12.278 1.00 1.18 C ATOM 1150 CZ TYR B 12 -20.946 -11.050 -13.567 1.00 0.81 C ATOM 1151 OH TYR B 12 -21.664 -11.970 -14.299 1.00 0.94 O ATOM 0 H TYR B 12 -17.277 -6.374 -10.482 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.040 -6.648 -12.719 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.623 -8.416 -11.447 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.884 -8.379 -10.230 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.254 -9.057 -13.830 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.903 -9.590 -10.539 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -19.540 -10.687 -15.134 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -22.199 -11.216 -11.843 1.00 1.18 H new ATOM 0 HH TYR B 12 -22.412 -12.304 -13.761 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.299 -5.963 -9.773 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.520 -5.563 -9.087 1.00 0.48 C ATOM 1163 C ALA B 13 -22.008 -4.200 -9.566 1.00 0.52 C ATOM 1164 O ALA B 13 -23.191 -3.875 -9.454 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.298 -5.550 -7.583 1.00 0.43 C ATOM 0 H ALA B 13 -19.454 -5.906 -9.204 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.293 -6.294 -9.325 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.218 -5.249 -7.082 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.012 -6.547 -7.249 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.504 -4.844 -7.338 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.093 -3.413 -10.110 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.441 -2.094 -10.599 1.00 0.55 C ATOM 1173 C GLY B 14 -21.265 -1.024 -9.540 1.00 0.52 C ATOM 1174 O GLY B 14 -21.660 0.123 -9.733 1.00 0.59 O ATOM 0 H GLY B 14 -20.111 -3.665 -10.222 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.821 -1.853 -11.462 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.476 -2.097 -10.941 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.663 -1.402 -8.423 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.426 -0.480 -7.328 1.00 0.46 C ATOM 1180 C VAL B 15 -18.945 -0.167 -7.220 1.00 0.43 C ATOM 1181 O VAL B 15 -18.122 -0.807 -7.873 1.00 0.43 O ATOM 1182 CB VAL B 15 -20.890 -1.074 -5.984 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.385 -1.296 -5.980 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.161 -2.380 -5.686 1.00 0.36 C ATOM 0 H VAL B 15 -20.328 -2.350 -8.252 1.00 0.47 H new ATOM 0 HA VAL B 15 -20.995 0.426 -7.538 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.646 -0.356 -5.201 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.688 -1.716 -5.021 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -22.894 -0.345 -6.137 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.652 -1.987 -6.779 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.506 -2.780 -4.732 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.367 -3.101 -6.477 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.088 -2.194 -5.635 1.00 0.36 H new ATOM 1194 N SER B 16 -18.607 0.826 -6.415 1.00 0.45 N ATOM 1195 CA SER B 16 -17.219 1.173 -6.197 1.00 0.46 C ATOM 1196 C SER B 16 -16.576 0.102 -5.323 1.00 0.41 C ATOM 1197 O SER B 16 -17.244 -0.499 -4.479 1.00 0.39 O ATOM 1198 CB SER B 16 -17.129 2.541 -5.532 1.00 0.50 C ATOM 1199 OG SER B 16 -18.334 2.845 -4.845 1.00 0.64 O ATOM 0 H SER B 16 -19.275 1.403 -5.904 1.00 0.45 H new ATOM 0 HA SER B 16 -16.689 1.222 -7.148 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.292 2.557 -4.834 1.00 0.50 H new ATOM 0 HB3 SER B 16 -16.931 3.304 -6.284 1.00 0.50 H new ATOM 0 HG SER B 16 -18.257 3.726 -4.423 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.287 -0.146 -5.524 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.578 -1.163 -4.753 1.00 0.41 C ATOM 1207 C TYR B 17 -14.567 -0.822 -3.262 1.00 0.41 C ATOM 1208 O TYR B 17 -14.404 -1.701 -2.413 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.164 -1.356 -5.311 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.060 -0.783 -4.458 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -11.791 0.575 -4.459 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.293 -1.607 -3.649 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -10.789 1.098 -3.680 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.286 -1.098 -2.862 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.043 0.264 -2.886 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.056 0.798 -2.112 1.00 1.42 O ATOM 0 H TYR B 17 -14.712 0.341 -6.212 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.108 -2.110 -4.852 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.984 -2.423 -5.444 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.114 -0.899 -6.299 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.378 1.233 -5.082 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.490 -2.669 -3.636 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -10.589 2.159 -3.692 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -9.695 -1.750 -2.236 1.00 1.49 H new ATOM 0 HH TYR B 17 -8.616 0.084 -1.605 1.00 1.42 H new ATOM 1226 N GLN B 18 -14.763 0.456 -2.945 1.00 0.42 N ATOM 1227 CA GLN B 18 -14.814 0.898 -1.560 1.00 0.44 C ATOM 1228 C GLN B 18 -16.117 0.444 -0.920 1.00 0.38 C ATOM 1229 O GLN B 18 -16.208 0.295 0.299 1.00 0.38 O ATOM 1230 CB GLN B 18 -14.677 2.411 -1.473 1.00 0.52 C ATOM 1231 CG GLN B 18 -13.244 2.875 -1.599 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.143 4.340 -1.951 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.116 5.200 -1.073 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.085 4.633 -3.241 1.00 0.87 N ATOM 0 H GLN B 18 -14.889 1.201 -3.631 1.00 0.42 H new ATOM 0 HA GLN B 18 -13.980 0.451 -1.019 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.274 2.872 -2.260 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.084 2.754 -0.522 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -12.722 2.693 -0.660 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -12.740 2.285 -2.364 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.111 3.886 -3.935 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.015 5.606 -3.540 1.00 0.87 H new ATOM 1243 N THR B 19 -17.126 0.214 -1.759 1.00 0.39 N ATOM 1244 CA THR B 19 -18.412 -0.261 -1.287 1.00 0.38 C ATOM 1245 C THR B 19 -18.238 -1.684 -0.774 1.00 0.34 C ATOM 1246 O THR B 19 -18.911 -2.112 0.164 1.00 0.36 O ATOM 1247 CB THR B 19 -19.482 -0.184 -2.402 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.718 1.192 -2.728 1.00 0.54 O ATOM 1249 CG2 THR B 19 -20.793 -0.837 -1.986 1.00 0.45 C ATOM 0 H THR B 19 -17.071 0.351 -2.768 1.00 0.39 H new ATOM 0 HA THR B 19 -18.766 0.376 -0.476 1.00 0.38 H new ATOM 0 HB THR B 19 -19.104 -0.728 -3.268 1.00 0.41 H new ATOM 0 HG1 THR B 19 -19.120 1.463 -3.456 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.513 -0.758 -2.800 1.00 0.45 H new ATOM 0 HG22 THR B 19 -20.619 -1.888 -1.756 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.187 -0.333 -1.104 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.276 -2.392 -1.366 1.00 0.33 N ATOM 1258 CA VAL B 20 -16.961 -3.746 -0.950 1.00 0.33 C ATOM 1259 C VAL B 20 -16.309 -3.687 0.428 1.00 0.36 C ATOM 1260 O VAL B 20 -16.733 -4.382 1.348 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.036 -4.476 -1.948 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.948 -5.958 -1.605 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.528 -4.297 -3.375 1.00 0.44 C ATOM 0 H VAL B 20 -16.704 -2.044 -2.136 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.888 -4.318 -0.916 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.041 -4.037 -1.870 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.292 -6.458 -2.318 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.546 -6.075 -0.598 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.942 -6.402 -1.653 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.860 -4.820 -4.059 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.534 -4.706 -3.467 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.544 -3.236 -3.624 1.00 0.44 H new ATOM 1273 N SER B 21 -15.267 -2.847 0.563 1.00 0.39 N ATOM 1274 CA SER B 21 -14.609 -2.628 1.841 1.00 0.45 C ATOM 1275 C SER B 21 -15.642 -2.306 2.919 1.00 0.45 C ATOM 1276 O SER B 21 -15.500 -2.711 4.070 1.00 0.52 O ATOM 1277 CB SER B 21 -13.624 -1.463 1.714 1.00 0.50 C ATOM 1278 OG SER B 21 -12.978 -1.194 2.942 1.00 1.29 O ATOM 0 H SER B 21 -14.869 -2.311 -0.208 1.00 0.39 H new ATOM 0 HA SER B 21 -14.073 -3.534 2.124 1.00 0.45 H new ATOM 0 HB2 SER B 21 -12.879 -1.696 0.953 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.154 -0.572 1.378 1.00 0.50 H new ATOM 0 HG SER B 21 -12.355 -0.446 2.827 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.685 -1.574 2.530 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.749 -1.207 3.449 1.00 0.51 C ATOM 1286 C ARG B 22 -18.552 -2.440 3.862 1.00 0.54 C ATOM 1287 O ARG B 22 -18.721 -2.706 5.044 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.661 -0.156 2.809 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.137 1.264 2.948 1.00 0.72 C ATOM 1290 CD ARG B 22 -19.123 2.282 2.402 1.00 1.03 C ATOM 1291 NE ARG B 22 -19.114 2.332 0.940 1.00 1.46 N ATOM 1292 CZ ARG B 22 -18.839 3.431 0.234 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -18.537 4.566 0.855 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -18.874 3.394 -1.094 1.00 2.66 N ATOM 0 H ARG B 22 -16.811 -1.225 1.580 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.302 -0.778 4.346 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -18.784 -0.388 1.751 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.649 -0.217 3.265 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -17.938 1.477 3.998 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -17.189 1.356 2.419 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -20.126 2.036 2.749 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -18.882 3.268 2.799 1.00 1.03 H new ATOM 0 HE ARG B 22 -19.331 1.476 0.430 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.515 4.599 1.874 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -18.327 5.404 0.313 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -19.111 2.526 -1.574 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -18.664 4.234 -1.633 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.011 -3.215 2.886 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.784 -4.423 3.165 1.00 0.58 C ATOM 1310 C VAL B 23 -18.988 -5.380 4.051 1.00 0.62 C ATOM 1311 O VAL B 23 -19.545 -6.090 4.893 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.177 -5.147 1.856 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.875 -6.464 2.148 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.058 -4.258 0.995 1.00 0.55 C ATOM 0 H VAL B 23 -18.862 -3.030 1.894 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.691 -4.118 3.686 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.261 -5.364 1.306 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.140 -6.951 1.210 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.208 -7.111 2.717 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.779 -6.276 2.727 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.323 -4.786 0.079 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.965 -4.004 1.543 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.519 -3.345 0.744 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.681 -5.380 3.852 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.780 -6.235 4.601 1.00 0.69 C ATOM 1326 C VAL B 24 -16.429 -5.645 5.975 1.00 0.76 C ATOM 1327 O VAL B 24 -16.213 -6.388 6.937 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.487 -6.473 3.783 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -14.443 -7.225 4.585 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.802 -7.226 2.500 1.00 0.66 C ATOM 0 H VAL B 24 -17.216 -4.786 3.166 1.00 0.59 H new ATOM 0 HA VAL B 24 -17.291 -7.182 4.774 1.00 0.69 H new ATOM 0 HB VAL B 24 -15.074 -5.495 3.534 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.552 -7.372 3.975 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -14.184 -6.650 5.474 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.842 -8.195 4.883 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.883 -7.385 1.937 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -16.250 -8.189 2.744 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.500 -6.644 1.898 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.390 -4.318 6.081 1.00 0.72 N ATOM 1341 CA ASN B 25 -16.025 -3.672 7.341 1.00 0.79 C ATOM 1342 C ASN B 25 -17.036 -2.622 7.779 1.00 1.20 C ATOM 1343 O ASN B 25 -17.784 -2.831 8.735 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.658 -3.001 7.216 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.582 -3.933 6.707 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.871 -4.568 7.484 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.459 -4.019 5.394 1.00 1.07 N ATOM 0 H ASN B 25 -16.604 -3.675 5.319 1.00 0.72 H new ATOM 0 HA ASN B 25 -16.003 -4.460 8.093 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -14.739 -2.148 6.542 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.361 -2.611 8.190 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.752 -4.631 4.987 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.071 -3.473 4.788 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.786 3.058 6.143 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.938 3.654 4.826 1.00 0.93 C ATOM 1394 C HIS B 29 -23.970 2.578 3.744 1.00 0.85 C ATOM 1395 O HIS B 29 -23.563 2.819 2.606 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.834 4.654 4.471 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.020 5.248 5.587 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -20.735 5.685 5.372 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -22.306 5.553 6.880 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.265 6.233 6.464 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -21.194 6.168 7.401 1.00 1.31 N ATOM 0 HA HIS B 29 -24.883 4.196 4.867 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.146 4.159 3.786 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.294 5.476 3.922 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -23.231 5.350 7.399 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.282 6.666 6.580 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -21.101 6.517 8.355 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.451 1.394 4.088 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.503 0.305 3.128 1.00 0.78 C ATOM 1412 C VAL B 30 -25.887 -0.316 3.089 1.00 0.81 C ATOM 1413 O VAL B 30 -26.242 -1.132 3.941 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.461 -0.798 3.428 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.488 -1.867 2.349 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.062 -0.214 3.529 1.00 1.22 C ATOM 0 H VAL B 30 -24.808 1.164 5.016 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.266 0.741 2.158 1.00 0.78 H new ATOM 0 HB VAL B 30 -23.723 -1.248 4.386 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.748 -2.634 2.578 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.479 -2.319 2.310 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.256 -1.416 1.384 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.349 -1.011 3.740 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -21.800 0.267 2.587 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.032 0.522 4.332 1.00 1.22 H new ATOM 1426 N SER B 31 -26.670 0.090 2.101 1.00 0.82 N ATOM 1427 CA SER B 31 -28.014 -0.434 1.929 1.00 0.88 C ATOM 1428 C SER B 31 -27.982 -1.925 1.621 1.00 0.94 C ATOM 1429 O SER B 31 -26.962 -2.451 1.166 1.00 1.42 O ATOM 1430 CB SER B 31 -28.718 0.314 0.802 1.00 0.90 C ATOM 1431 OG SER B 31 -27.778 0.915 -0.077 1.00 0.83 O ATOM 0 H SER B 31 -26.395 0.783 1.405 1.00 0.82 H new ATOM 0 HA SER B 31 -28.562 -0.289 2.860 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.353 -0.375 0.245 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.370 1.080 1.221 1.00 0.90 H new ATOM 0 HG SER B 31 -27.120 0.246 -0.360 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.100 -2.598 1.864 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.200 -4.033 1.614 1.00 0.92 C ATOM 1439 C ALA B 32 -28.901 -4.352 0.152 1.00 0.86 C ATOM 1440 O ALA B 32 -28.228 -5.335 -0.152 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.579 -4.550 1.998 1.00 1.07 C ATOM 0 H ALA B 32 -29.951 -2.174 2.234 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.457 -4.536 2.233 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.633 -5.621 1.804 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -30.755 -4.364 3.057 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.338 -4.036 1.408 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.386 -3.493 -0.744 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.179 -3.664 -2.179 1.00 0.87 C ATOM 1449 C LYS B 33 -27.694 -3.746 -2.526 1.00 0.79 C ATOM 1450 O LYS B 33 -27.257 -4.689 -3.177 1.00 0.86 O ATOM 1451 CB LYS B 33 -29.815 -2.508 -2.944 1.00 0.95 C ATOM 1452 CG LYS B 33 -29.775 -2.680 -4.453 1.00 1.51 C ATOM 1453 CD LYS B 33 -30.462 -1.525 -5.156 1.00 1.82 C ATOM 1454 CE LYS B 33 -31.948 -1.467 -4.828 1.00 2.55 C ATOM 1455 NZ LYS B 33 -32.700 -2.583 -5.454 1.00 3.30 N ATOM 0 H LYS B 33 -29.929 -2.666 -0.497 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.651 -4.602 -2.469 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -30.852 -2.401 -2.627 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.303 -1.583 -2.679 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -28.739 -2.748 -4.786 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.260 -3.617 -4.728 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -29.988 -0.588 -4.864 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -30.331 -1.626 -6.233 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -32.082 -1.501 -3.747 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -32.358 -0.517 -5.170 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -33.718 -2.450 -5.291 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -32.512 -2.598 -6.477 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.397 -3.485 -5.034 1.00 3.30 H new ATOM 1469 N THR B 34 -26.923 -2.762 -2.077 1.00 0.68 N ATOM 1470 CA THR B 34 -25.497 -2.731 -2.355 1.00 0.61 C ATOM 1471 C THR B 34 -24.762 -3.845 -1.622 1.00 0.57 C ATOM 1472 O THR B 34 -23.860 -4.469 -2.179 1.00 0.54 O ATOM 1473 CB THR B 34 -24.884 -1.376 -1.969 1.00 0.64 C ATOM 1474 OG1 THR B 34 -25.684 -0.736 -0.961 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.763 -0.472 -3.183 1.00 0.73 C ATOM 0 H THR B 34 -27.263 -1.978 -1.520 1.00 0.68 H new ATOM 0 HA THR B 34 -25.381 -2.881 -3.428 1.00 0.61 H new ATOM 0 HB THR B 34 -23.886 -1.557 -1.571 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.914 -1.386 -0.265 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.327 0.481 -2.885 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.124 -0.947 -3.928 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.752 -0.301 -3.609 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.161 -4.100 -0.380 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.531 -5.139 0.425 1.00 0.61 C ATOM 1485 C ARG B 35 -24.686 -6.507 -0.229 1.00 0.60 C ATOM 1486 O ARG B 35 -23.709 -7.238 -0.404 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.125 -5.157 1.836 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.370 -6.062 2.793 1.00 0.89 C ATOM 1489 CD ARG B 35 -24.731 -5.777 4.243 1.00 1.00 C ATOM 1490 NE ARG B 35 -24.046 -6.694 5.154 1.00 1.71 N ATOM 1491 CZ ARG B 35 -23.735 -6.410 6.420 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -24.041 -5.229 6.948 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -23.114 -7.319 7.160 1.00 3.21 N ATOM 0 H ARG B 35 -25.917 -3.602 0.090 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.467 -4.912 0.494 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.130 -4.142 2.234 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.164 -5.483 1.782 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.593 -7.103 2.561 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.298 -5.926 2.652 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -24.465 -4.749 4.491 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -25.809 -5.868 4.376 1.00 1.00 H new ATOM 0 HE ARG B 35 -23.788 -7.614 4.797 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -24.519 -4.527 6.384 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -23.797 -5.025 7.917 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -22.878 -8.227 6.760 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -22.873 -7.110 8.129 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.910 -6.833 -0.618 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.198 -8.113 -1.251 1.00 0.67 C ATOM 1509 C GLU B 36 -25.612 -8.179 -2.658 1.00 0.62 C ATOM 1510 O GLU B 36 -25.179 -9.237 -3.104 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.708 -8.351 -1.293 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.318 -8.587 0.075 1.00 0.84 C ATOM 1513 CD GLU B 36 -27.812 -9.855 0.727 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -28.266 -10.952 0.333 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -26.963 -9.763 1.640 1.00 2.09 O ATOM 0 H GLU B 36 -26.723 -6.227 -0.506 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.730 -8.898 -0.656 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.191 -7.490 -1.755 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.915 -9.212 -1.929 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.094 -7.737 0.720 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -29.403 -8.639 -0.019 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.591 -7.046 -3.347 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.055 -6.986 -4.703 1.00 0.56 C ATOM 1524 C LYS B 37 -23.581 -7.372 -4.705 1.00 0.48 C ATOM 1525 O LYS B 37 -23.124 -8.126 -5.571 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.250 -5.583 -5.289 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.881 -5.470 -6.760 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.758 -4.456 -7.483 1.00 1.13 C ATOM 1529 CE LYS B 37 -25.543 -3.045 -6.959 1.00 1.31 C ATOM 1530 NZ LYS B 37 -26.243 -2.029 -7.787 1.00 1.66 N ATOM 0 H LYS B 37 -25.938 -6.156 -2.991 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.596 -7.697 -5.328 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.292 -5.289 -5.163 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.648 -4.875 -4.719 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -23.835 -5.178 -6.852 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -24.982 -6.445 -7.237 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.541 -4.484 -8.551 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.806 -4.732 -7.364 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -25.899 -2.982 -5.931 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -24.476 -2.824 -6.940 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -26.070 -1.082 -7.394 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -25.885 -2.070 -8.763 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.265 -2.223 -7.784 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.844 -6.865 -3.722 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.424 -7.171 -3.595 1.00 0.37 C ATOM 1546 C VAL B 38 -21.232 -8.623 -3.164 1.00 0.39 C ATOM 1547 O VAL B 38 -20.408 -9.345 -3.728 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.735 -6.235 -2.579 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.275 -6.600 -2.410 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -20.864 -4.789 -3.014 1.00 0.38 C ATOM 0 H VAL B 38 -23.207 -6.240 -3.002 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.964 -7.017 -4.571 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.234 -6.358 -1.618 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -18.812 -5.926 -1.689 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.196 -7.626 -2.050 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.764 -6.512 -3.369 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.372 -4.145 -2.285 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.394 -4.659 -3.989 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -21.919 -4.522 -3.081 1.00 0.38 H new ATOM 1560 N GLU B 39 -22.007 -9.040 -2.168 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.945 -10.408 -1.660 1.00 0.50 C ATOM 1562 C GLU B 39 -22.234 -11.422 -2.769 1.00 0.53 C ATOM 1563 O GLU B 39 -21.575 -12.462 -2.861 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.936 -10.588 -0.508 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.422 -10.071 0.826 1.00 0.63 C ATOM 1566 CD GLU B 39 -21.391 -10.988 1.445 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -20.191 -10.831 1.154 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -21.783 -11.877 2.232 1.00 1.76 O ATOM 0 H GLU B 39 -22.689 -8.448 -1.694 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.935 -10.588 -1.293 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.864 -10.072 -0.755 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -23.176 -11.647 -0.409 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.986 -9.082 0.685 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -23.260 -9.955 1.514 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.218 -11.115 -3.605 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.581 -11.988 -4.715 1.00 0.61 C ATOM 1577 C ALA B 40 -22.473 -12.015 -5.758 1.00 0.53 C ATOM 1578 O ALA B 40 -22.189 -13.055 -6.351 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.892 -11.543 -5.345 1.00 0.70 C ATOM 0 H ALA B 40 -23.780 -10.267 -3.535 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.714 -12.997 -4.324 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -25.143 -12.209 -6.171 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.685 -11.577 -4.598 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.789 -10.524 -5.719 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.836 -10.868 -5.965 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.753 -10.756 -6.931 1.00 0.43 C ATOM 1587 C ALA B 41 -19.566 -11.612 -6.514 1.00 0.38 C ATOM 1588 O ALA B 41 -18.844 -12.146 -7.356 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.335 -9.301 -7.104 1.00 0.42 C ATOM 0 H ALA B 41 -22.053 -10.001 -5.474 1.00 0.47 H new ATOM 0 HA ALA B 41 -21.115 -11.124 -7.891 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.524 -9.239 -7.830 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.185 -8.718 -7.458 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.996 -8.904 -6.147 1.00 0.42 H new ATOM 1595 N MET B 42 -19.380 -11.753 -5.205 1.00 0.38 N ATOM 1596 CA MET B 42 -18.295 -12.564 -4.669 1.00 0.40 C ATOM 1597 C MET B 42 -18.439 -14.011 -5.132 1.00 0.45 C ATOM 1598 O MET B 42 -17.462 -14.759 -5.190 1.00 0.52 O ATOM 1599 CB MET B 42 -18.279 -12.513 -3.139 1.00 0.44 C ATOM 1600 CG MET B 42 -17.954 -11.144 -2.574 1.00 0.41 C ATOM 1601 SD MET B 42 -17.474 -11.214 -0.840 1.00 0.51 S ATOM 1602 CE MET B 42 -17.441 -9.472 -0.436 1.00 0.46 C ATOM 0 H MET B 42 -19.968 -11.315 -4.496 1.00 0.38 H new ATOM 0 HA MET B 42 -17.355 -12.158 -5.041 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.253 -12.828 -2.764 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.547 -13.231 -2.769 1.00 0.44 H new ATOM 0 HG2 MET B 42 -17.147 -10.697 -3.154 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.822 -10.494 -2.682 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.943 -9.330 0.523 1.00 0.46 H new ATOM 0 HE2 MET B 42 -16.898 -8.929 -1.210 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.461 -9.093 -0.375 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.666 -14.394 -5.469 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.950 -15.740 -5.937 1.00 0.53 C ATOM 1614 C ALA B 43 -19.848 -15.806 -7.460 1.00 0.55 C ATOM 1615 O ALA B 43 -19.408 -16.810 -8.019 1.00 0.62 O ATOM 1616 CB ALA B 43 -21.330 -16.182 -5.472 1.00 0.61 C ATOM 0 H ALA B 43 -20.483 -13.784 -5.425 1.00 0.46 H new ATOM 0 HA ALA B 43 -19.211 -16.420 -5.514 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -21.528 -17.192 -5.830 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -21.368 -16.169 -4.383 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -22.083 -15.502 -5.869 1.00 0.61 H new ATOM 1622 N GLU B 44 -20.242 -14.714 -8.119 1.00 0.54 N ATOM 1623 CA GLU B 44 -20.200 -14.628 -9.574 1.00 0.58 C ATOM 1624 C GLU B 44 -18.773 -14.764 -10.084 1.00 0.59 C ATOM 1625 O GLU B 44 -18.485 -15.597 -10.942 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.788 -13.295 -10.039 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.254 -13.123 -9.686 1.00 0.63 C ATOM 1628 CD GLU B 44 -23.179 -13.721 -10.728 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.015 -14.914 -11.065 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -24.070 -13.002 -11.222 1.00 1.55 O ATOM 0 H GLU B 44 -20.595 -13.874 -7.661 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.794 -15.447 -9.980 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.217 -12.480 -9.593 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.671 -13.213 -11.120 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.449 -13.591 -8.721 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.475 -12.061 -9.576 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.879 -13.953 -9.535 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.476 -13.980 -9.942 1.00 0.55 C ATOM 1639 C LEU B 45 -15.721 -15.103 -9.248 1.00 0.55 C ATOM 1640 O LEU B 45 -14.664 -15.517 -9.719 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.765 -12.659 -9.611 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.264 -11.402 -10.326 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.857 -11.728 -11.686 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.267 -10.665 -9.463 1.00 0.99 C ATOM 0 H LEU B 45 -18.096 -13.270 -8.809 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.475 -14.139 -11.020 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.845 -12.492 -8.537 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.705 -12.779 -9.837 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.405 -10.752 -10.494 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.200 -10.810 -12.163 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -16.098 -12.199 -12.310 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.699 -12.409 -11.562 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.612 -9.773 -9.987 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.117 -11.316 -9.256 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.795 -10.375 -8.524 1.00 0.99 H new ATOM 1656 N ASN B 46 -16.292 -15.597 -8.148 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.660 -16.629 -7.329 1.00 0.59 C ATOM 1658 C ASN B 46 -14.463 -15.988 -6.636 1.00 0.54 C ATOM 1659 O ASN B 46 -13.315 -16.382 -6.830 1.00 0.59 O ATOM 1660 CB ASN B 46 -15.233 -17.842 -8.168 1.00 0.71 C ATOM 1661 CG ASN B 46 -14.936 -19.068 -7.322 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -15.799 -19.923 -7.115 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -13.710 -19.158 -6.831 1.00 1.40 N ATOM 0 H ASN B 46 -17.202 -15.293 -7.802 1.00 0.53 H new ATOM 0 HA ASN B 46 -16.370 -17.008 -6.594 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -16.022 -18.081 -8.881 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -14.347 -17.583 -8.748 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -13.448 -19.959 -6.256 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -13.027 -18.427 -7.028 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.775 -14.960 -5.852 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.793 -14.169 -5.122 1.00 0.46 C ATOM 1672 C TYR B 47 -12.802 -15.031 -4.339 1.00 0.52 C ATOM 1673 O TYR B 47 -13.180 -15.806 -3.458 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.528 -13.193 -4.179 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.644 -12.225 -3.403 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.303 -12.031 -3.722 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -14.169 -11.499 -2.340 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.516 -11.148 -3.006 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.387 -10.614 -1.620 1.00 1.21 C ATOM 1680 CZ TYR B 47 -12.061 -10.444 -1.957 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.276 -9.565 -1.243 1.00 0.51 O ATOM 0 H TYR B 47 -15.735 -14.649 -5.705 1.00 0.48 H new ATOM 0 HA TYR B 47 -13.204 -13.613 -5.851 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -15.238 -12.613 -4.769 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -15.109 -13.776 -3.465 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.869 -12.581 -4.544 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -15.207 -11.628 -2.071 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.477 -11.011 -3.269 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -13.813 -10.059 -0.798 1.00 1.21 H new ATOM 0 HH TYR B 47 -11.812 -9.148 -0.536 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.533 -14.887 -4.701 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.447 -15.575 -4.035 1.00 0.64 C ATOM 1693 C ILE B 48 -9.554 -14.512 -3.408 1.00 0.59 C ATOM 1694 O ILE B 48 -8.685 -13.960 -4.080 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.621 -16.436 -5.009 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.531 -17.401 -5.771 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.540 -17.194 -4.251 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -9.893 -17.973 -7.014 1.00 1.28 C ATOM 0 H ILE B 48 -11.233 -14.286 -5.469 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.857 -16.251 -3.285 1.00 0.64 H new ATOM 0 HB ILE B 48 -9.138 -15.782 -5.735 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.816 -18.219 -5.109 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -11.448 -16.881 -6.049 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.962 -17.799 -4.949 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.879 -16.484 -3.753 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -9.004 -17.842 -3.507 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.594 -18.649 -7.505 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.633 -17.163 -7.695 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -8.991 -18.521 -6.741 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.793 -14.208 -2.118 1.00 0.62 N ATOM 1711 CA PRO B 49 -9.081 -13.180 -1.349 1.00 0.64 C ATOM 1712 C PRO B 49 -7.648 -12.913 -1.805 1.00 0.60 C ATOM 1713 O PRO B 49 -6.806 -13.817 -1.831 1.00 0.66 O ATOM 1714 CB PRO B 49 -9.114 -13.775 0.048 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.465 -14.399 0.121 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.778 -14.897 -1.268 1.00 0.72 C ATOM 0 HA PRO B 49 -9.543 -12.198 -1.453 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.323 -14.511 0.191 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.981 -13.011 0.814 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.476 -15.219 0.839 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.210 -13.675 0.451 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.678 -15.980 -1.337 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.799 -14.652 -1.560 1.00 0.72 H new ATOM 1724 N ASN B 50 -7.393 -11.651 -2.151 1.00 0.57 N ATOM 1725 CA ASN B 50 -6.080 -11.190 -2.612 1.00 0.58 C ATOM 1726 C ASN B 50 -5.103 -11.119 -1.444 1.00 0.60 C ATOM 1727 O ASN B 50 -4.527 -10.069 -1.171 1.00 0.71 O ATOM 1728 CB ASN B 50 -6.223 -9.800 -3.244 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.883 -9.767 -4.720 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -5.899 -10.793 -5.400 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.591 -8.574 -5.231 1.00 0.68 N ATOM 0 H ASN B 50 -8.096 -10.913 -2.120 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.696 -11.895 -3.350 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -7.247 -9.452 -3.108 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -5.575 -9.101 -2.715 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -5.369 -8.484 -6.222 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -5.589 -7.749 -4.631 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.918 -12.256 -0.778 1.00 0.72 N ATOM 1739 CA ARG B 51 -4.056 -12.376 0.399 1.00 0.84 C ATOM 1740 C ARG B 51 -2.677 -11.746 0.212 1.00 0.76 C ATOM 1741 O ARG B 51 -2.041 -11.359 1.189 1.00 0.85 O ATOM 1742 CB ARG B 51 -3.898 -13.845 0.784 1.00 1.06 C ATOM 1743 CG ARG B 51 -5.208 -14.532 1.137 1.00 1.68 C ATOM 1744 CD ARG B 51 -5.833 -13.929 2.384 1.00 2.18 C ATOM 1745 NE ARG B 51 -5.076 -14.254 3.589 1.00 2.97 N ATOM 1746 CZ ARG B 51 -5.399 -13.835 4.810 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -6.450 -13.041 4.998 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -4.661 -14.207 5.846 1.00 4.76 N ATOM 0 H ARG B 51 -5.368 -13.132 -1.043 1.00 0.72 H new ATOM 0 HA ARG B 51 -4.550 -11.822 1.197 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.430 -14.379 -0.043 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -3.220 -13.917 1.635 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -5.903 -14.445 0.302 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -5.031 -15.596 1.295 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -5.890 -12.846 2.273 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -6.855 -14.293 2.489 1.00 2.18 H new ATOM 0 HE ARG B 51 -4.247 -14.839 3.489 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -7.017 -12.748 4.202 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -6.689 -12.725 5.938 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -3.851 -14.811 5.705 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -4.903 -13.890 6.785 1.00 4.76 H new ATOM 1762 N CYS B 52 -2.212 -11.645 -1.024 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.916 -11.048 -1.291 1.00 0.62 C ATOM 1764 C CYS B 52 -0.932 -9.577 -0.889 1.00 0.58 C ATOM 1765 O CYS B 52 -0.309 -9.181 0.098 1.00 0.61 O ATOM 1766 CB CYS B 52 -0.571 -11.178 -2.773 1.00 0.66 C ATOM 1767 SG CYS B 52 1.214 -11.272 -3.115 1.00 0.70 S ATOM 0 H CYS B 52 -2.711 -11.967 -1.853 1.00 0.66 H new ATOM 0 HA CYS B 52 -0.159 -11.571 -0.707 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -1.054 -12.071 -3.170 1.00 0.66 H new ATOM 0 HB3 CYS B 52 -0.988 -10.325 -3.308 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.674 -8.780 -1.640 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.781 -7.356 -1.371 1.00 0.52 C ATOM 1774 C ALA B 53 -2.619 -7.074 -0.125 1.00 0.51 C ATOM 1775 O ALA B 53 -2.479 -6.019 0.483 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.338 -6.643 -2.586 1.00 0.53 C ATOM 0 H ALA B 53 -2.214 -9.098 -2.445 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.782 -6.971 -1.167 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.416 -5.576 -2.378 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.674 -6.799 -3.436 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.326 -7.040 -2.820 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.475 -8.020 0.265 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.313 -7.851 1.455 1.00 0.53 C ATOM 1784 C GLN B 54 -3.468 -7.924 2.722 1.00 0.58 C ATOM 1785 O GLN B 54 -3.628 -7.109 3.632 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.418 -8.905 1.514 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.637 -8.572 0.669 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.739 -9.609 0.795 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.478 -10.788 1.041 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.981 -9.176 0.619 1.00 0.64 N ATOM 0 H GLN B 54 -3.607 -8.907 -0.222 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.778 -6.867 1.389 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.011 -9.861 1.185 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.731 -9.031 2.551 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -7.025 -7.598 0.966 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.338 -8.491 -0.376 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.154 -8.191 0.417 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.763 -9.828 0.686 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.572 -8.907 2.786 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.698 -9.054 3.944 1.00 0.62 C ATOM 1801 C GLN B 55 -0.713 -7.904 3.993 1.00 0.60 C ATOM 1802 O GLN B 55 -0.334 -7.443 5.071 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.967 -10.394 3.922 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.766 -11.508 4.571 1.00 1.19 C ATOM 1805 CD GLN B 55 -2.196 -11.157 5.984 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -3.399 -11.562 6.350 1.00 2.38 O flip ATOM 1807 NE2 GLN B 55 -1.461 -10.509 6.729 1.00 2.52 N flip ATOM 0 H GLN B 55 -2.434 -9.606 2.056 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.312 -9.033 4.844 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.745 -10.665 2.890 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.012 -10.290 4.437 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.648 -11.720 3.967 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.167 -12.418 4.591 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -0.539 -10.216 6.407 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -1.774 -10.265 7.669 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.291 -7.467 2.814 1.00 0.54 N ATOM 1817 CA LEU B 56 0.601 -6.332 2.693 1.00 0.53 C ATOM 1818 C LEU B 56 -0.096 -5.106 3.227 1.00 0.55 C ATOM 1819 O LEU B 56 0.352 -4.515 4.197 1.00 0.58 O ATOM 1820 CB LEU B 56 0.969 -6.124 1.228 1.00 0.48 C ATOM 1821 CG LEU B 56 2.173 -5.228 0.988 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.380 -5.749 1.729 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.476 -5.145 -0.485 1.00 0.46 C ATOM 0 H LEU B 56 -0.557 -7.888 1.924 1.00 0.54 H new ATOM 0 HA LEU B 56 1.512 -6.513 3.263 1.00 0.53 H new ATOM 0 HB2 LEU B 56 1.163 -7.097 0.776 1.00 0.48 H new ATOM 0 HB3 LEU B 56 0.109 -5.698 0.710 1.00 0.48 H new ATOM 0 HG LEU B 56 1.936 -4.231 1.361 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.231 -5.094 1.544 1.00 0.45 H new ATOM 0 HD12 LEU B 56 3.167 -5.775 2.798 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.614 -6.755 1.381 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.340 -4.500 -0.643 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.692 -6.142 -0.869 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.615 -4.733 -1.011 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.246 -4.803 2.636 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.051 -3.643 2.992 1.00 0.59 C ATOM 1837 C ALA B 57 -2.777 -3.813 4.329 1.00 0.68 C ATOM 1838 O ALA B 57 -3.950 -3.459 4.456 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.054 -3.379 1.881 1.00 0.55 C ATOM 0 H ALA B 57 -1.650 -5.364 1.886 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.378 -2.794 3.110 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.662 -2.512 2.138 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.522 -3.186 0.949 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.698 -4.250 1.758 1.00 0.55 H new